A0A096MUC6_PAPAN Loading...

Potassium voltage-gated channel subfamily A regulatory beta subunit 1

AlphaFold DB (A0A087X1P8), UniProt , Accession A0A096MUC6, Species PAPAN (Papio anubis, Olive baboon), Gene KCNAB1, Length 304 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
1M92.2Very high96.6Very high68 Ų6860.8 Ų60.834%0.33531%0.311SS..  0139.50-17555.166.800110.5Y3 L16 G44 V45 L269 I272M1-Y3 HydrophobicContact CB-CE2 4.19Å; M1-Y3 HydrophobicContact CG-CE1 4.37Å; M1-Y3 HydrophobicContact CG-CE2 4.27Å; M1-L16 HydrophobicContact CE-CB 4.4Å; M1-G44 WeakPolarHBondContact CG-O 3.46Å; M1-V45 HydrophobicContact CE-CG2 3.58Å; M1-L269 HydrophobicContact CE-CD2 4.31Å; M1-I272 HydrophobicContact CE-CD1 3.43Å; M1-I272 VanDerWaalsContact CE-CD1 3.43Å; M1-I272 HydrophobicContact SD-CD1 3.46Å; M1-I272 WeakPolarHBondContact SD-CD1 3.35Å
2K91.8Very high96.7Very high122 Ų12267.7 Ų67.753%0.5333%0.33SS..  trans-92.9142.4167.6-67.5-175.6-179.7-178.40109.9C15K2-C15 PolarHBondContact O-N 3.32Å; K2-C15 PolarHBondContact O-SG 3.24Å
3Y96.4Very high96.9Very high99 Ų9962.5 Ų62.539%0.38830%0.304SS..EExtended strand (participates in β ladder)trans-118.4135.5178.2-63.4-88.2000111.1M1 R12 V13 G44 N46M1-Y3 HydrophobicContact CB-CE2 4.19Å; M1-Y3 HydrophobicContact CG-CE1 4.37Å; M1-Y3 HydrophobicContact CG-CE2 4.27Å; Y3-R12 PolarHBondContact O-NH2 3.17Å; Y3-V13 CarbonylContact C-O 3.33Å; Y3-V13 VanDerWaalsContact CA-O 3.29Å; Y3-V13 WeakPolarHBondContact CA-O 3.48Å; Y3-G44 PolarHBondContact OH-O 2.67Å; Y3-N46 HydrophobicContact CE1-CB 4.35Å
4R95.6Very high97Very high56 Ų5658 Ų5821%0.21128%0.283CS..EExtended strand (participates in β ladder)trans-126.6159.4179.8-62.8-179.8178.6174-1.4110.2R12 V13 N249 V252R4-R12 CarbonylContact O-C 3.6Å; R4-R12 WeakPolarHBondContact O-CA 3.29Å; R4-V13 PolarHBondContact N-O 3.42Å; R4-V13 PolarHBondContact O-N 2.82Å; R4-N249 PolarHBondContact NH1-O 2.97Å; R4-V252 PolarHBondContact NH1-O 3.34Å
5N98.4Very high96.9Very high74 Ų7454.3 Ų54.340%0.39627%0.265SS..EExtended strand (participates in β ladder)trans-67.5143.7166.3-70.680000109.7G7 S9 L11 S253N5-G7 WeakPolarHBondContact CB-O 3.2Å; N5-G7 PolarHBondContact O-N 2.93Å; N5-S9 PolarHBondContact ND2-O 3.24Å; N5-L11 CarbonylContact C-O 3.55Å; N5-L11 WeakPolarHBondContact CA-O 2.99Å; N5-S253 WeakPolarHBondContact O-CB 3.44Å; N5-S253 PolarHBondContact O-OG 3.33Å
6L98.3Very high97Very high4 Ų450.9 Ų50.92%0.02125%0.249CC..SBendtrans-82.999.6168.4-175.561.4000108.7S9 L11 V13 V146 C147 M176L6-S9 WeakPolarHBondContact O-CB 2.94Å; L6-S9 PolarHBondContact O-N 3.06Å; L6-S9 PolarHBondContact O-OG 3.23Å; L6-L11 HydrophobicContact CD2-CD2 4.01Å; L6-L11 PolarHBondContact N-O 3.22Å; L6-V13 HydrophobicContact CB-CG1 4.36Å; L6-V13 HydrophobicContact CB-CG2 4.29Å; L6-V146 HydrophobicContact CD2-CG2 4.42Å; L6-C147 HydrophobicContact CD1-CB 3.78Å; L6-C147 HydrophobicContact CD2-CB 3.87Å; L6-C147 HydrophobicContact CG-CB 3.81Å; L6-M176 HydrophobicContact CD1-CB 4.29Å; L6-M176 HydrophobicContact CD1-CE 3.97Å; L6-M176 HydrophobicContact CD2-CE 3.92Å
7G97Very high97.1Very high3 Ų348 Ų483%0.03124%0.235CC..THydrogen-bonded Turntrans61.8-143.7-169.100000111.7N5 S9 G172 S253N5-G7 WeakPolarHBondContact CB-O 3.2Å; N5-G7 PolarHBondContact O-N 2.93Å; G7-S9 VanDerWaalsContact C-N 3.28Å; G7-G172 WeakPolarHBondContact CA-O 3.44Å; G7-S253 PolarHBondContact N-OG 2.81Å
8K98Very high97.2Very high125 Ų12545.5 Ų45.554%0.54322%0.222SC..THydrogen-bonded Turntrans-87.48.6172.6-66.6-174.5-176.3171.50113.4Y168 H169 G172K8-Y168 WeakPolarHBondContact CE-O 3.46Å; K8-Y168 HydrophobicContact CG-CE2 4.03Å; K8-H169 PolarHBondContact NZ-O 2.92Å; K8-G172 PolarHBondContact N-O 3.47Å
9S97.9Very high97.2Very high17 Ų1743.6 Ų43.612%0.11922%0.216CC..SBendtrans-73.5163.3176.578.40000112N5 L6 G7 L11N5-S9 PolarHBondContact ND2-O 3.24Å; L6-S9 WeakPolarHBondContact O-CB 2.94Å; L6-S9 PolarHBondContact O-N 3.06Å; L6-S9 PolarHBondContact O-OG 3.23Å; G7-S9 VanDerWaalsContact C-N 3.28Å; S9-L11 PolarHBondContact O-N 3.4Å; S9-L11 PolarHBondContact OG-N 2.98Å
10G98.1Very high97.2Very high62 Ų6241.5 Ų41.564%0.63921%0.206SC*.SBendtrans-73.8-8.2172.700000114.4R12G10-R12 PolarHBondContact O-N 3.04Å
11L98.5Very high97.2Very high39 Ų3943 Ų4320%0.20421%0.209CC..  trans-72.7120-177.3-176.364.2000110.7N5 L6 S9 V13 V78 Y119N5-L11 CarbonylContact C-O 3.55Å; N5-L11 WeakPolarHBondContact CA-O 2.99Å; L6-L11 HydrophobicContact CD2-CD2 4.01Å; L6-L11 PolarHBondContact N-O 3.22Å; S9-L11 PolarHBondContact O-N 3.4Å; S9-L11 PolarHBondContact OG-N 2.98Å; L11-V13 HydrophobicContact CD2-CG1 4.41Å; L11-V13 HydrophobicContact CG-CG1 4.29Å; L11-V78 HydrophobicContact CD1-CG1 4.39Å; L11-V78 HydrophobicContact CD1-CG2 3.96Å; L11-V78 HydrophobicContact CD2-CG1 4.02Å; L11-Y119 HydrophobicContact CB-CD2 4.37Å; L11-Y119 HydrophobicContact CB-CE2 3.91Å; L11-Y119 HydrophobicContact CD1-CE2 4.29Å; L11-Y119 HydrophobicContact CD2-CD2 4.02Å; L11-Y119 HydrophobicContact CD2-CE2 4.29Å; L11-Y119 HydrophobicContact CG-CE2 4.39Å
12R98.5Very high97.2Very high143 Ų14340.6 Ų40.654%0.5420%0.198SC..EExtended strand (participates in β ladder)trans-95.4123174.7-63.7-162.171.8146.93.2111.5Y3 R4 G10 N46Y3-R12 PolarHBondContact O-NH2 3.17Å; R4-R12 CarbonylContact O-C 3.6Å; R4-R12 WeakPolarHBondContact O-CA 3.29Å; G10-R12 PolarHBondContact O-N 3.04Å; R12-N46 PolarHBondContact O-ND2 2.65Å
13V98.6Very high97.4Very high0 Ų034.9 Ų34.90%017%0.173CC..EExtended strand (participates in β ladder)trans-115.8148.3177.5-640000110.8Y3 R4 L6 L11 N46 L47 V78Y3-V13 CarbonylContact C-O 3.33Å; Y3-V13 VanDerWaalsContact CA-O 3.29Å; Y3-V13 WeakPolarHBondContact CA-O 3.48Å; R4-V13 PolarHBondContact N-O 3.42Å; R4-V13 PolarHBondContact O-N 2.82Å; L6-V13 HydrophobicContact CB-CG1 4.36Å; L6-V13 HydrophobicContact CB-CG2 4.29Å; L11-V13 HydrophobicContact CD2-CG1 4.41Å; L11-V13 HydrophobicContact CG-CG1 4.29Å; V13-N46 WeakPolarHBondContact CA-OD1 3.47Å; V13-L47 HydrophobicContact CB-CD2 4.43Å; V13-L47 HydrophobicContact CG1-CD1 4.36Å; V13-V78 HydrophobicContact CG1-CG1 4.15Å; V13-V78 HydrophobicContact CG1-CG2 4.4Å
14S98.3Very high97.4Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-62.2140.9166.449.30000109.6L16 V45 N46 L47 S254S14-L16 VanDerWaalsContact CB-O 3.28Å; S14-L16 WeakPolarHBondContact CB-O 3.27Å; S14-L16 PolarHBondContact O-N 3.26Å; S14-L16 VanDerWaalsContact O-N 3.11Å; S14-L16 PolarHBondContact OG-O 3.36Å; S14-V45 WeakPolarHBondContact OG-CA 3.46Å; S14-N46 PolarHBondContact N-OD1 2.98Å; S14-N46 PolarHBondContact OG-N 3.46Å; S14-N46 PolarHBondContact OG-OD1 3.26Å; S14-L47 PolarHBondContact OG-N 2.77Å; S14-S254 VanDerWaalsContact O-CB 3.24Å; S14-S254 WeakPolarHBondContact O-CB 3.46Å; S14-S254 PolarHBondContact O-OG 2.93Å
15C96.7Very high97.2Very high3 Ų328.7 Ų28.72%0.0216%0.156CC..SBendtrans-63.5-16.8179.7640000113.5K2 L247 S254 V255K2-C15 PolarHBondContact O-N 3.32Å; K2-C15 PolarHBondContact O-SG 3.24Å; C15-L247 HydrophobicContact CB-CD2 4.1Å; C15-L247 VanDerWaalsContact O-CD2 3.29Å; C15-L247 WeakPolarHBondContact O-CD2 3.28Å; C15-S254 CarbonylContact O-C 3.6Å; C15-S254 VanDerWaalsContact O-CA 3.26Å; C15-S254 WeakPolarHBondContact O-CA 3.39Å; C15-S254 PolarHBondContact O-OG 3.37Å; C15-V255 PolarHBondContact O-N 2.89Å
16L97.9Very high96.9Very high0 Ų027.7 Ų27.70%016%0.163CC..EExtended strand (participates in β ladder)trans-115.7139.9165.7-65175.6000109M1 S14 V243 L247 V255 L257 L269 I272M1-L16 HydrophobicContact CE-CB 4.4Å; S14-L16 VanDerWaalsContact CB-O 3.28Å; S14-L16 WeakPolarHBondContact CB-O 3.27Å; S14-L16 PolarHBondContact O-N 3.26Å; S14-L16 VanDerWaalsContact O-N 3.11Å; S14-L16 PolarHBondContact OG-O 3.36Å; L16-V243 HydrophobicContact CD2-CG1 3.64Å; L16-L247 HydrophobicContact CD2-CD1 3.72Å; L16-L247 HydrophobicContact CD2-CG 4.49Å; L16-L247 HydrophobicContact CG-CD1 4.15Å; L16-V255 WeakPolarHBondContact CA-O 3.38Å; L16-V255 HydrophobicContact CD2-CB 4.14Å; L16-L257 HydrophobicContact CB-CD1 4.33Å; L16-L257 HydrophobicContact CD1-CD1 4.17Å; L16-L257 HydrophobicContact CD2-CD1 4.34Å; L16-L257 HydrophobicContact CD2-CD2 4.14Å; L16-L257 HydrophobicContact CD2-CG 4.24Å; L16-L269 HydrophobicContact CD1-CD2 3.98Å; L16-I272 HydrophobicContact CD1-CB 4.34Å; L16-I272 HydrophobicContact CD1-CD1 3.91Å; L16-I272 HydrophobicContact CD1-CG1 3.82Å; L16-I272 HydrophobicContact CD1-CG2 3.61Å; L16-I272 HydrophobicContact CG-CG2 3.91Å
17G98.4Very high96.7Very high1 Ų130.1 Ų30.11%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-120.9168.5169.300000111.4L47 S254 V255 L257G17-L47 CarbonylContact C-O 3.57Å; G17-L47 WeakPolarHBondContact CA-O 3.22Å; G17-S254 PolarHBondContact N-OG 2.92Å; G17-V255 PolarHBondContact N-O 3.33Å; G17-L257 WeakPolarHBondContact O-CB 3.28Å; G17-L257 PolarHBondContact O-N 3.37Å
18L98.7Very high96.6Very high3 Ų331 Ų312%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-113.8118174.9-179.565.1000110.1F24 L36 A40 L47 F48 D49 L265L18-F24 HydrophobicContact CD2-CZ 4.43Å; L18-L36 HydrophobicContact CD2-CB 4.37Å; L18-A40 HydrophobicContact CB-CB 4.39Å; L18-A40 HydrophobicContact CD2-CB 4.03Å; L18-L47 PolarHBondContact N-O 3.11Å; L18-F48 HydrophobicContact CB-CD1 3.96Å; L18-F48 HydrophobicContact CB-CE1 4.21Å; L18-F48 HydrophobicContact CD2-CD1 4.26Å; L18-F48 HydrophobicContact CD2-CE1 4.22Å; L18-F48 WeakPolarHBondContact O-CA 3.47Å; L18-D49 PolarHBondContact O-N 3.34Å; L18-L265 HydrophobicContact CD1-CD1 4.29Å
19G97.8Very high96.6Very high10 Ų1027.5 Ų27.510%0.10317%0.17CC..EExtended strand (participates in β ladder)trans-91.9151.1172.800000112.3L257G19-L257 PolarHBondContact N-O 3.18Å
20T97.4Very high96.5Very high1 Ų130.8 Ų30.81%0.00619%0.186CC..  trans-104.1-2.4-175.654.30000114.2V22 T23 F24 D49 T50 L63T20-V22 PolarHBondContact O-N 2.9Å; T20-T23 PolarHBondContact O-N 2.97Å; T20-T23 PolarHBondContact O-OG1 2.74Å; T20-F24 HydrophobicContact CG2-CB 4.24Å; T20-F24 HydrophobicContact CG2-CD1 3.83Å; T20-F24 HydrophobicContact CG2-CD2 3.69Å; T20-F24 HydrophobicContact CG2-CE1 4.1Å; T20-F24 HydrophobicContact CG2-CE2 3.95Å; T20-F24 HydrophobicContact CG2-CG 3.65Å; T20-F24 HydrophobicContact CG2-CZ 4.16Å; T20-F24 PolarHBondContact O-N 2.98Å; T20-D49 WeakPolarHBondContact CG2-O 3.34Å; T20-D49 PolarHBondContact N-O 2.86Å; T20-D49 PolarHBondContact OG1-O 3.36Å; T20-T50 WeakPolarHBondContact OG1-CA 3.26Å; T20-T50 WeakPolarHBondContact OG1-CB 3.26Å; T20-T50 PolarHBondContact OG1-OG1 2.87Å; T20-L63 HydrophobicContact CG2-CD1 4.43Å
21W96.1Very high96.5Very high72 Ų7233.9 Ų33.927%0.27318%0.184SC..THydrogen-bonded Turntrans-59.4135.6-177.9-176.345.7000112.2T23 Y54 Y205 W207W21-T23 PolarHBondContact O-N 3.49Å; W21-Y54 HydrophobicContact CB-CD1 4.45Å; W21-Y54 HydrophobicContact CB-CD2 4.06Å; W21-Y54 HydrophobicContact CB-CE1 4.06Å; W21-Y54 HydrophobicContact CB-CE2 3.63Å; W21-Y54 HydrophobicContact CB-CG 4.47Å; W21-Y54 AromaticContact CD1-CD1 3.53Å; W21-Y54 AromaticContact CD1-CE1 3.39Å; W21-Y54 AromaticContact CD1-CZ 3.9Å; W21-Y54 HydrophobicContact CG-CD1 4.29Å; W21-Y54 AromaticContact CG-CE1 3.87Å; W21-Y54 HydrophobicContact CG-CE1 3.87Å; W21-Y54 HydrophobicContact CG-CE2 4.34Å; W21-Y54 AromaticContact CG-CZ 3.9Å; W21-Y205 HydrophobicContact CH2-CE1 4.34Å; W21-Y205 AromaticContact CZ2-CE1 3.94Å; W21-Y205 HydrophobicContact CZ2-CE1 3.94Å; W21-W207 HydrophobicContact CH2-CH2 4.41Å; W21-W207 HydrophobicContact CH2-CZ2 4.16Å; W21-W207 HydrophobicContact CZ2-CZ2 4.5Å
22V93Very high96.5Very high19 Ų1933.8 Ų33.812%0.11519%0.185CC..THydrogen-bonded Turntrans73.4-37.3-177-166.10000113.9T20 Q27 R199 L202 Y205T20-V22 PolarHBondContact O-N 2.9Å; V22-Q27 HydrophobicContact CG1-CB 4.34Å; V22-Q27 VanDerWaalsContact O-CB 3.27Å; V22-Q27 WeakPolarHBondContact O-CB 3.2Å; V22-Q27 PolarHBondContact O-N 3.14Å; V22-R199 HydrophobicContact CG1-CG 4.25Å; V22-R199 VanDerWaalsContact CG2-CZ 3.49Å; V22-L202 HydrophobicContact CG1-CD1 3.68Å; V22-Y205 HydrophobicContact CG1-CE2 4.02Å; V22-Y205 HydrophobicContact CG2-CE1 3.89Å; V22-Y205 WeakPolarHBondContact CG2-OH 3.41Å
23T95.1Very high96.5Very high1 Ų127 Ų271%0.00616%0.159CC..Iπ-helixtrans-85.5-67-167.646.50000111.9T20 W21 G25 G26 Q27 I28 S259T20-T23 PolarHBondContact O-N 2.97Å; T20-T23 PolarHBondContact O-OG1 2.74Å; W21-T23 PolarHBondContact O-N 3.49Å; T23-G25 PolarHBondContact O-N 3.34Å; T23-G26 CarbonylContact O-C 3.53Å; T23-G26 PolarHBondContact O-N 3.47Å; T23-G26 VanDerWaalsContact O-N 3.12Å; T23-Q27 PolarHBondContact O-N 2.9Å; T23-Q27 VanDerWaalsContact O-N 3.16Å; T23-I28 HydrophobicContact CG2-CG2 4.47Å; T23-I28 WeakPolarHBondContact O-CG1 3.22Å; T23-I28 PolarHBondContact O-N 2.88Å; T23-S259 WeakPolarHBondContact CG2-O 3.4Å
24F96.4Very high96.5Very high3 Ų328.9 Ų28.91%0.01317%0.168CC..Iπ-helixtrans-68.6128-171-72.946.8000109.8L18 T20 G26 I28 A33 A59 I62 L63 I66L18-F24 HydrophobicContact CD2-CZ 4.43Å; T20-F24 HydrophobicContact CG2-CB 4.24Å; T20-F24 HydrophobicContact CG2-CD1 3.83Å; T20-F24 HydrophobicContact CG2-CD2 3.69Å; T20-F24 HydrophobicContact CG2-CE1 4.1Å; T20-F24 HydrophobicContact CG2-CE2 3.95Å; T20-F24 HydrophobicContact CG2-CG 3.65Å; T20-F24 HydrophobicContact CG2-CZ 4.16Å; T20-F24 PolarHBondContact O-N 2.98Å; F24-G26 PolarHBondContact O-N 2.8Å; F24-I28 HydrophobicContact CD1-CD1 4.26Å; F24-I28 HydrophobicContact CE1-CD1 4.35Å; F24-A33 HydrophobicContact CD1-CB 4.19Å; F24-A33 HydrophobicContact CD2-CB 3.83Å; F24-A33 HydrophobicContact CE1-CB 4.09Å; F24-A33 HydrophobicContact CE2-CB 3.72Å; F24-A33 HydrophobicContact CG-CB 4.06Å; F24-A33 HydrophobicContact CZ-CB 3.85Å; F24-A59 HydrophobicContact CB-CB 4Å; F24-I62 HydrophobicContact CD2-CB 4.42Å; F24-I62 HydrophobicContact CD2-CG2 3.78Å; F24-I62 HydrophobicContact CE2-CG2 4.41Å; F24-L63 HydrophobicContact CE2-CD1 4.47Å; F24-I66 HydrophobicContact CE2-CD1 3.96Å
25G92.2Very high96.5Very high22 Ų2235.8 Ų35.823%0.22719%0.194CC..Iπ-helixtrans72.79.5-178.500000114.6T23 A55T23-G25 PolarHBondContact O-N 3.34Å; G25-A55 WeakPolarHBondContact O-CB 3.46Å
26G92.6Very high96.6Very high53 Ų5335.6 Ų35.655%0.54619%0.193SC..Iπ-helixtrans-139-96.3-176.100000112.3T23 F24 I28T23-G26 CarbonylContact O-C 3.53Å; T23-G26 PolarHBondContact O-N 3.47Å; T23-G26 VanDerWaalsContact O-N 3.12Å; F24-G26 PolarHBondContact O-N 2.8Å; G26-I28 PolarHBondContact O-N 3.36Å
27Q92.9Very high96.6Very high55 Ų5535.6 Ų35.626%0.25719%0.193SC..Iπ-helixtrans-67.3-31.2-170.2-176.8-176.316.100114.2V22 T23 L202V22-Q27 HydrophobicContact CG1-CB 4.34Å; V22-Q27 VanDerWaalsContact O-CB 3.27Å; V22-Q27 WeakPolarHBondContact O-CB 3.2Å; V22-Q27 PolarHBondContact O-N 3.14Å; T23-Q27 PolarHBondContact O-N 2.9Å; T23-Q27 VanDerWaalsContact O-N 3.16Å; Q27-L202 HydrophobicContact CB-CD1 4.46Å; Q27-L202 HydrophobicContact CG-CD1 4.3Å
28I95.6Very high96.6Very high21 Ų2136.4 Ų36.411%0.10820%0.198CC..SBendtrans-118.3158-173.565.1169.6000110.9T23 F24 G26 V32 A33 L36 S260T23-I28 HydrophobicContact CG2-CG2 4.47Å; T23-I28 WeakPolarHBondContact O-CG1 3.22Å; T23-I28 PolarHBondContact O-N 2.88Å; F24-I28 HydrophobicContact CD1-CD1 4.26Å; F24-I28 HydrophobicContact CE1-CD1 4.35Å; G26-I28 PolarHBondContact O-N 3.36Å; I28-V32 HydrophobicContact CB-CB 4.19Å; I28-V32 HydrophobicContact CB-CG1 4.14Å; I28-V32 HydrophobicContact CD1-CB 4.29Å; I28-V32 HydrophobicContact CD1-CG1 3.97Å; I28-V32 HydrophobicContact CG2-CG1 4.42Å; I28-A33 HydrophobicContact CD1-CB 3.99Å; I28-L36 HydrophobicContact CD1-CD1 3.55Å; I28-S260 VanDerWaalsContact CG2-O 3.31Å; I28-S260 WeakPolarHBondContact CG2-O 3.35Å
29S97.1Very high96.6Very high52 Ų5237.9 Ų37.936%0.36421%0.205SC..  trans-73.6161.1173.784.50000112.1E31 V32 A33S29-E31 WeakPolarHBondContact CB-OE2 3.43Å; S29-E31 PolarHBondContact O-N 3.48Å; S29-E31 PolarHBondContact OG-OE2 3.49Å; S29-V32 PolarHBondContact O-N 3.35Å; S29-V32 VanDerWaalsContact O-N 3.13Å; S29-V32 PolarHBondContact OG-N 3.28Å; S29-A33 PolarHBondContact O-N 3.36Å
30D97.6Very high96.7Very high87 Ų8737.4 Ų37.447%0.46520%0.2SC..Hα-helixtrans-63.1-32.8179.4-685.6000111.6A33 E34 I62D30-A33 WeakPolarHBondContact O-CB 3.15Å; D30-A33 PolarHBondContact O-N 2.87Å; D30-E34 WeakPolarHBondContact O-CB 3.46Å; D30-E34 PolarHBondContact O-N 3.43Å; D30-I62 WeakPolarHBondContact OD1-CD1 3.33Å
31E97.9Very high96.7Very high127 Ų12739.8 Ų39.859%0.59321%0.21SC*.Hα-helixtrans-66.4-40.1174.9-56.574.7-160.500111.4S29 E34 R35S29-E31 WeakPolarHBondContact CB-OE2 3.43Å; S29-E31 PolarHBondContact O-N 3.48Å; S29-E31 PolarHBondContact OG-OE2 3.49Å; E31-E34 PolarHBondContact O-N 2.87Å; E31-R35 VanDerWaalsContact O-CG 3.3Å; E31-R35 WeakPolarHBondContact O-CG 3.23Å; E31-R35 PolarHBondContact O-N 3.04Å
32V98Very high96.8Very high36 Ų3643 Ų4322%0.21823%0.228CC..Hα-helixtrans-67.6-40.8175179.30000109.9I28 S29 E34 R35 L36I28-V32 HydrophobicContact CB-CB 4.19Å; I28-V32 HydrophobicContact CB-CG1 4.14Å; I28-V32 HydrophobicContact CD1-CB 4.29Å; I28-V32 HydrophobicContact CD1-CG1 3.97Å; I28-V32 HydrophobicContact CG2-CG1 4.42Å; S29-V32 PolarHBondContact O-N 3.35Å; S29-V32 VanDerWaalsContact O-N 3.13Å; S29-V32 PolarHBondContact OG-N 3.28Å; V32-E34 PolarHBondContact O-N 3.42Å; V32-R35 PolarHBondContact O-N 3.34Å; V32-L36 HydrophobicContact CG1-CD1 4.2Å; V32-L36 HydrophobicContact CG1-CG 4.34Å; V32-L36 VanDerWaalsContact O-CG 3.29Å; V32-L36 WeakPolarHBondContact O-CG 3.32Å; V32-L36 PolarHBondContact O-N 3.17Å
33A98.3Very high97Very high1 Ų144.7 Ų44.71%0.00824%0.241CC..Hα-helixtrans-59.6-44.5175.700000111.9F24 I28 S29 D30 L36 M37 I62 I66F24-A33 HydrophobicContact CD1-CB 4.19Å; F24-A33 HydrophobicContact CD2-CB 3.83Å; F24-A33 HydrophobicContact CE1-CB 4.09Å; F24-A33 HydrophobicContact CE2-CB 3.72Å; F24-A33 HydrophobicContact CG-CB 4.06Å; F24-A33 HydrophobicContact CZ-CB 3.85Å; I28-A33 HydrophobicContact CD1-CB 3.99Å; S29-A33 PolarHBondContact O-N 3.36Å; D30-A33 WeakPolarHBondContact O-CB 3.15Å; D30-A33 PolarHBondContact O-N 2.87Å; A33-L36 PolarHBondContact O-N 3.13Å; A33-M37 WeakPolarHBondContact O-CB 3.14Å; A33-M37 PolarHBondContact O-N 3.4Å; A33-I62 HydrophobicContact CB-CG2 3.9Å; A33-I66 HydrophobicContact CB-CD1 4.11Å
34E98.6Very high97.1Very high40 Ų4045.5 Ų45.519%0.18725%0.249CC..Hα-helixtrans-61.4-44.4174.6-178177163.500112.2D30 E31 V32 M37 T38 I66 K69D30-E34 WeakPolarHBondContact O-CB 3.46Å; D30-E34 PolarHBondContact O-N 3.43Å; E31-E34 PolarHBondContact O-N 2.87Å; V32-E34 PolarHBondContact O-N 3.42Å; E34-M37 PolarHBondContact O-N 3Å; E34-T38 VanDerWaalsContact O-CB 3.27Å; E34-T38 WeakPolarHBondContact O-CB 3.44Å; E34-T38 PolarHBondContact O-N 3.24Å; E34-T38 PolarHBondContact O-OG1 3.24Å; E34-I66 HydrophobicContact CB-CD1 4.2Å; E34-I66 HydrophobicContact CB-CG1 4.04Å; E34-I66 HydrophobicContact CG-CG1 4.42Å; E34-I66 HydrophobicContact CG-CG2 4.2Å; E34-K69 WeakPolarHBondContact OE1-CE 3.37Å; E34-K69 IonicContact OE1-NZ 3.71Å; E34-K69 PolarHBondContact OE1-NZ 3.27Å; E34-K69 IonicContact OE2-NZ 2.62Å; E34-K69 PolarHBondContact OE2-NZ 2.78Å
35R98.4Very high97.2Very high144 Ų14445.5 Ų45.554%0.54325%0.249SC..Hα-helixtrans-62.1-45.3177-74.1178.173.9-164.10.7111.5E31 V32 T38 I39E31-R35 VanDerWaalsContact O-CG 3.3Å; E31-R35 WeakPolarHBondContact O-CG 3.23Å; E31-R35 PolarHBondContact O-N 3.04Å; V32-R35 PolarHBondContact O-N 3.34Å; R35-T38 PolarHBondContact O-N 3.25Å; R35-I39 VanDerWaalsContact O-CG1 3.28Å; R35-I39 WeakPolarHBondContact O-CG1 3.03Å; R35-I39 PolarHBondContact O-N 3.19Å
36L98.6Very high97.5Very high0 Ų045.4 Ų45.40%024%0.243CC..Hα-helixtrans-60-48.4176.9-72174.1000111.7L18 I28 V32 A33 T38 I39 A40 S259 T261 L265L18-L36 HydrophobicContact CD2-CB 4.37Å; I28-L36 HydrophobicContact CD1-CD1 3.55Å; V32-L36 HydrophobicContact CG1-CD1 4.2Å; V32-L36 HydrophobicContact CG1-CG 4.34Å; V32-L36 VanDerWaalsContact O-CG 3.29Å; V32-L36 WeakPolarHBondContact O-CG 3.32Å; V32-L36 PolarHBondContact O-N 3.17Å; A33-L36 PolarHBondContact O-N 3.13Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.12Å; L36-I39 PolarHBondContact O-N 3.05Å; L36-A40 WeakPolarHBondContact O-CB 3.48Å; L36-A40 PolarHBondContact O-N 3.49Å; L36-S259 WeakPolarHBondContact CD1-O 3.47Å; L36-T261 WeakPolarHBondContact CD2-O 3.39Å; L36-L265 HydrophobicContact CB-CD2 4.16Å; L36-L265 HydrophobicContact CD2-CB 3.77Å; L36-L265 HydrophobicContact CD2-CD2 3.74Å; L36-L265 HydrophobicContact CD2-CG 4.41Å; L36-L265 WeakPolarHBondContact O-CD2 3.15Å
37M98.6Very high97.8Very high0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-65.2-38.1-180-162.7-179.5-177.600111.7A33 E34 A40 Y41 F48 L63 I66 I67 W72A33-M37 WeakPolarHBondContact O-CB 3.14Å; A33-M37 PolarHBondContact O-N 3.4Å; E34-M37 PolarHBondContact O-N 3Å; M37-A40 PolarHBondContact O-N 2.92Å; M37-Y41 WeakPolarHBondContact O-CB 3.3Å; M37-Y41 PolarHBondContact O-N 2.56Å; M37-F48 HydrophobicContact CE-CB 4.49Å; M37-F48 HydrophobicContact CE-CD1 3.82Å; M37-F48 HydrophobicContact CE-CD2 4.12Å; M37-F48 HydrophobicContact CE-CE1 4.03Å; M37-F48 HydrophobicContact CE-CE2 4.31Å; M37-F48 HydrophobicContact CE-CG 3.87Å; M37-F48 HydrophobicContact CE-CZ 4.27Å; M37-F48 HydrophobicContact CG-CD1 3.88Å; M37-F48 HydrophobicContact CG-CE1 3.51Å; M37-F48 HydrophobicContact CG-CZ 4.18Å; M37-L63 HydrophobicContact CE-CD1 3.42Å; M37-L63 VanDerWaalsContact CE-CD1 3.42Å; M37-L63 HydrophobicContact CE-CG 4.42Å; M37-L63 HydrophobicContact SD-CD1 3.58Å; M37-L63 VanDerWaalsContact SD-CD1 3.58Å; M37-I66 HydrophobicContact CB-CG2 4.18Å; M37-I66 HydrophobicContact CG-CG2 4.32Å; M37-I66 HydrophobicContact SD-CB 3.89Å; M37-I66 HydrophobicContact SD-CD1 4.36Å; M37-I66 HydrophobicContact SD-CG2 3.49Å; M37-I66 WeakPolarHBondContact SD-CG2 3.44Å; M37-I67 HydrophobicContact CE-CD1 3.93Å; M37-I67 HydrophobicContact CE-CG1 3.49Å; M37-I67 VanDerWaalsContact CE-CG1 3.49Å; M37-I67 HydrophobicContact SD-CG1 4.37Å; M37-W72 HydrophobicContact CB-CH2 4.46Å; M37-W72 HydrophobicContact CE-CE3 4.39Å; M37-W72 HydrophobicContact CE-CZ3 3.81Å; M37-W72 HydrophobicContact CG-CH2 4.05Å; M37-W72 HydrophobicContact CG-CZ3 3.81Å; M37-W72 HydrophobicContact SD-CZ3 3.83Å
38T98.7Very high98.1Very high17 Ų1740.4 Ų40.410%0.10421%0.206CC..Hα-helixtrans-62.5-51.1175.8-61.60000111.2E34 R35 L36 A40 Y41 E42 K70E34-T38 VanDerWaalsContact O-CB 3.27Å; E34-T38 WeakPolarHBondContact O-CB 3.44Å; E34-T38 PolarHBondContact O-N 3.24Å; E34-T38 PolarHBondContact O-OG1 3.24Å; R35-T38 PolarHBondContact O-N 3.25Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.12Å; T38-A40 VanDerWaalsContact C-N 3.31Å; T38-A40 PolarHBondContact O-N 2.9Å; T38-Y41 PolarHBondContact O-N 3.45Å; T38-E42 HydrophobicContact CG2-CG 4.29Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.23Å; T38-E42 WeakPolarHBondContact O-CB 3.13Å; T38-E42 WeakPolarHBondContact O-CG 3.31Å; T38-E42 PolarHBondContact O-N 3.23Å; T38-K70 WeakPolarHBondContact OG1-CE 3.44Å; T38-K70 PolarHBondContact OG1-NZ 3.11Å; T38-K70 VanDerWaalsContact OG1-NZ 3.17Å
39I98.5Very high98.3Very high34 Ų3439.6 Ų39.617%0.17420%0.202CC..Hα-helixtrans-58-45177.7-70.5164.3000110.8R35 L36 S43 P262 L265 I266 L269R35-I39 VanDerWaalsContact O-CG1 3.28Å; R35-I39 WeakPolarHBondContact O-CG1 3.03Å; R35-I39 PolarHBondContact O-N 3.19Å; L36-I39 PolarHBondContact O-N 3.05Å; I39-S43 VanDerWaalsContact O-CB 3.22Å; I39-S43 WeakPolarHBondContact O-CB 3.26Å; I39-S43 PolarHBondContact O-N 2.95Å; I39-S43 PolarHBondContact O-OG 3.17Å; I39-P262 HydrophobicContact CD1-CB 3.74Å; I39-L265 HydrophobicContact CB-CD2 4.06Å; I39-L265 HydrophobicContact CG2-CD2 3.91Å; I39-L265 HydrophobicContact CG2-CG 4.24Å; I39-I266 HydrophobicContact CD1-CD1 4.36Å; I39-I266 HydrophobicContact CG2-CG1 4.01Å; I39-L269 HydrophobicContact CG2-CD1 4Å
40A98.4Very high98.3Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-60-52.7178.100000111L18 L36 M37 T38 E42 S43 G44 V45 F48 L265L18-A40 HydrophobicContact CB-CB 4.39Å; L18-A40 HydrophobicContact CD2-CB 4.03Å; L36-A40 WeakPolarHBondContact O-CB 3.48Å; L36-A40 PolarHBondContact O-N 3.49Å; M37-A40 PolarHBondContact O-N 2.92Å; T38-A40 VanDerWaalsContact C-N 3.31Å; T38-A40 PolarHBondContact O-N 2.9Å; A40-E42 PolarHBondContact O-N 3.43Å; A40-S43 CarbonylContact O-C 3.57Å; A40-S43 PolarHBondContact O-N 3.09Å; A40-G44 PolarHBondContact O-N 2.62Å; A40-V45 HydrophobicContact CB-CB 3.96Å; A40-V45 HydrophobicContact CB-CG1 4.32Å; A40-V45 HydrophobicContact CB-CG2 4.15Å; A40-V45 WeakPolarHBondContact O-CB 3.47Å; A40-V45 WeakPolarHBondContact O-CG2 3.45Å; A40-V45 PolarHBondContact O-N 2.94Å; A40-F48 HydrophobicContact CB-CE1 3.97Å; A40-F48 HydrophobicContact CB-CZ 4.37Å; A40-L265 HydrophobicContact CB-CD2 4.24Å
41Y98.6Very high98Very high52 Ų5233.2 Ų33.220%0.20416%0.164CC..Hα-helixtrans-60.7-46.7-178.7-174.5-91.6000112.3M37 T38 S43 G44 F48 W72 S76 L77M37-Y41 WeakPolarHBondContact O-CB 3.3Å; M37-Y41 PolarHBondContact O-N 2.56Å; T38-Y41 PolarHBondContact O-N 3.45Å; Y41-S43 PolarHBondContact O-N 2.81Å; Y41-G44 WeakPolarHBondContact O-CA 3.46Å; Y41-G44 PolarHBondContact O-N 2.88Å; Y41-F48 HydrophobicContact CD2-CE2 4.37Å; Y41-F48 HydrophobicContact CD2-CZ 4.41Å; Y41-W72 AromaticContact CD1-CD1 3.9Å; Y41-W72 AromaticContact CD1-CD2 3.98Å; Y41-W72 HydrophobicContact CD1-CD2 3.98Å; Y41-W72 AromaticContact CD1-CE2 3.46Å; Y41-W72 VanDerWaalsContact CD1-CE2 3.46Å; Y41-W72 HydrophobicContact CD1-CG 4.22Å; Y41-W72 AromaticContact CD1-CZ2 3.82Å; Y41-W72 HydrophobicContact CD1-CZ2 3.82Å; Y41-W72 AromaticContact CD1-NE1 3.41Å; Y41-W72 AromaticContact CD2-CD2 3.99Å; Y41-W72 HydrophobicContact CD2-CD2 3.99Å; Y41-W72 HydrophobicContact CD2-CE3 4.15Å; Y41-W72 HydrophobicContact CD2-CG 4.35Å; Y41-W72 AromaticContact CE1-CD1 3.45Å; Y41-W72 VanDerWaalsContact CE1-CD1 3.45Å; Y41-W72 HydrophobicContact CE1-CD2 4.12Å; Y41-W72 AromaticContact CE1-CE2 3.87Å; Y41-W72 AromaticContact CE1-CG 3.86Å; Y41-W72 HydrophobicContact CE1-CG 3.86Å; Y41-W72 AromaticContact CE1-NE1 3.43Å; Y41-W72 HydrophobicContact CE2-CB 4.22Å; Y41-W72 HydrophobicContact CE2-CD2 4.12Å; Y41-W72 HydrophobicContact CE2-CG 4Å; Y41-W72 AromaticContact CG-CD2 3.91Å; Y41-W72 HydrophobicContact CG-CD2 3.91Å; Y41-W72 AromaticContact CG-CE2 3.66Å; Y41-W72 HydrophobicContact CG-CE3 4.26Å; Y41-W72 HydrophobicContact CG-CG 4.45Å; Y41-W72 HydrophobicContact CG-CH2 4.17Å; Y41-W72 AromaticContact CG-CZ2 3.79Å; Y41-W72 HydrophobicContact CG-CZ2 3.79Å; Y41-W72 HydrophobicContact CG-CZ3 4.4Å; Y41-W72 AromaticContact CZ-CD1 3.73Å; Y41-W72 AromaticContact CZ-CG 3.74Å; Y41-S76 PolarHBondContact OH-OG 3.22Å; Y41-L77 HydrophobicContact CD2-CD2 3.68Å; Y41-L77 HydrophobicContact CE2-CD2 3.6Å; Y41-L77 HydrophobicContact CE2-CG 4.33Å
42E97.9Very high97.4Very high139 Ų13929.4 Ų29.465%0.6515%0.146SC*.Hα-helixtrans-65.3-28.4178.1-70.9174.4179.800112.4T38 A40 G44T38-E42 HydrophobicContact CG2-CG 4.29Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.23Å; T38-E42 WeakPolarHBondContact O-CB 3.13Å; T38-E42 WeakPolarHBondContact O-CG 3.31Å; T38-E42 PolarHBondContact O-N 3.23Å; A40-E42 PolarHBondContact O-N 3.43Å; E42-G44 PolarHBondContact O-N 3.14Å
43S97.1Very high96.9Very high55 Ų5530.8 Ų30.839%0.38515%0.154SC..THydrogen-bonded Turntrans-77.91171.8-58.90000113.6I39 A40 Y41I39-S43 VanDerWaalsContact O-CB 3.22Å; I39-S43 WeakPolarHBondContact O-CB 3.26Å; I39-S43 PolarHBondContact O-N 2.95Å; I39-S43 PolarHBondContact O-OG 3.17Å; A40-S43 CarbonylContact O-C 3.57Å; A40-S43 PolarHBondContact O-N 3.09Å; Y41-S43 PolarHBondContact O-N 2.81Å
44G97.9Very high96.7Very high17 Ų1732.4 Ų32.418%0.17516%0.161CC..THydrogen-bonded Turntrans87.211.9179.500000114.8M1 Y3 A40 Y41 E42 N46M1-G44 WeakPolarHBondContact CG-O 3.46Å; Y3-G44 PolarHBondContact OH-O 2.67Å; A40-G44 PolarHBondContact O-N 2.62Å; Y41-G44 WeakPolarHBondContact O-CA 3.46Å; Y41-G44 PolarHBondContact O-N 2.88Å; E42-G44 PolarHBondContact O-N 3.14Å; G44-N46 PolarHBondContact O-N 3.21Å
45V98.4Very high96.4Very high3 Ų332.5 Ų32.52%0.01817%0.168CC..  trans-67.9123.9169.4175.30000108.5M1 S14 A40 L47 F48 L269M1-V45 HydrophobicContact CE-CG2 3.58Å; S14-V45 WeakPolarHBondContact OG-CA 3.46Å; A40-V45 HydrophobicContact CB-CB 3.96Å; A40-V45 HydrophobicContact CB-CG1 4.32Å; A40-V45 HydrophobicContact CB-CG2 4.15Å; A40-V45 WeakPolarHBondContact O-CB 3.47Å; A40-V45 WeakPolarHBondContact O-CG2 3.45Å; A40-V45 PolarHBondContact O-N 2.94Å; V45-L47 WeakPolarHBondContact CG1-O 3.4Å; V45-F48 HydrophobicContact CG1-CE1 4.42Å; V45-F48 HydrophobicContact CG1-CZ 4.21Å; V45-L269 HydrophobicContact CG2-CD2 3.94Å
46N98.7Very high96Very high21 Ų2130 Ų3011%0.11218%0.178CC..  trans-107.3-13.5174.176.9-11.4000113Y3 R12 V13 S14 G44 S76 V78Y3-N46 HydrophobicContact CE1-CB 4.35Å; R12-N46 PolarHBondContact O-ND2 2.65Å; V13-N46 WeakPolarHBondContact CA-OD1 3.47Å; S14-N46 PolarHBondContact N-OD1 2.98Å; S14-N46 PolarHBondContact OG-N 3.46Å; S14-N46 PolarHBondContact OG-OD1 3.26Å; G44-N46 PolarHBondContact O-N 3.21Å; N46-S76 WeakPolarHBondContact CB-O 3.26Å; N46-V78 WeakPolarHBondContact O-CA 3.29Å; N46-V78 PolarHBondContact O-N 2.97Å
47L98.8Very high95.4Very high0 Ų031 Ų310%019%0.188CC..EExtended strand (participates in β ladder)trans-97.7119.2-175.7177.666.6000111.6V13 S14 G17 L18 V45 V78 T80 M176 S254 L256V13-L47 HydrophobicContact CB-CD2 4.43Å; V13-L47 HydrophobicContact CG1-CD1 4.36Å; S14-L47 PolarHBondContact OG-N 2.77Å; G17-L47 CarbonylContact C-O 3.57Å; G17-L47 WeakPolarHBondContact CA-O 3.22Å; L18-L47 PolarHBondContact N-O 3.11Å; V45-L47 WeakPolarHBondContact CG1-O 3.4Å; L47-V78 WeakPolarHBondContact CA-O 3.24Å; L47-V78 HydrophobicContact CD1-CB 4.2Å; L47-V78 HydrophobicContact CD1-CG1 3.74Å; L47-T80 HydrophobicContact CD1-CG2 3.96Å; L47-M176 HydrophobicContact CD1-CE 3.8Å; L47-M176 HydrophobicContact CD1-SD 4.38Å; L47-M176 HydrophobicContact CD2-CE 3.62Å; L47-M176 HydrophobicContact CD2-CG 4.33Å; L47-M176 HydrophobicContact CD2-SD 3.87Å; L47-M176 HydrophobicContact CG-CE 4.35Å; L47-S254 WeakPolarHBondContact CD2-OG 3.3Å; L47-L256 HydrophobicContact CD2-CD2 3.82Å; L47-L256 HydrophobicContact CG-CD2 4.15Å
48F98.8Very high95.2Very high2 Ų237.2 Ų37.21%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-127.5127.1177.3-57.8-89.7000110.4L18 M37 A40 Y41 V45 L63 L77 V78 I79 T80L18-F48 HydrophobicContact CB-CD1 3.96Å; L18-F48 HydrophobicContact CB-CE1 4.21Å; L18-F48 HydrophobicContact CD2-CD1 4.26Å; L18-F48 HydrophobicContact CD2-CE1 4.22Å; L18-F48 WeakPolarHBondContact O-CA 3.47Å; M37-F48 HydrophobicContact CE-CB 4.49Å; M37-F48 HydrophobicContact CE-CD1 3.82Å; M37-F48 HydrophobicContact CE-CD2 4.12Å; M37-F48 HydrophobicContact CE-CE1 4.03Å; M37-F48 HydrophobicContact CE-CE2 4.31Å; M37-F48 HydrophobicContact CE-CG 3.87Å; M37-F48 HydrophobicContact CE-CZ 4.27Å; M37-F48 HydrophobicContact CG-CD1 3.88Å; M37-F48 HydrophobicContact CG-CE1 3.51Å; M37-F48 HydrophobicContact CG-CZ 4.18Å; A40-F48 HydrophobicContact CB-CE1 3.97Å; A40-F48 HydrophobicContact CB-CZ 4.37Å; Y41-F48 HydrophobicContact CD2-CE2 4.37Å; Y41-F48 HydrophobicContact CD2-CZ 4.41Å; V45-F48 HydrophobicContact CG1-CE1 4.42Å; V45-F48 HydrophobicContact CG1-CZ 4.21Å; F48-L63 HydrophobicContact CB-CD1 4.26Å; F48-L77 HydrophobicContact CD2-CD2 3.95Å; F48-L77 HydrophobicContact CE2-CD2 3.57Å; F48-V78 PolarHBondContact N-O 3.44Å; F48-I79 HydrophobicContact CB-CD1 3.89Å; F48-I79 HydrophobicContact CD2-CD1 4.06Å; F48-I79 HydrophobicContact CG-CD1 4.36Å; F48-I79 WeakPolarHBondContact O-CA 3.37Å; F48-T80 PolarHBondContact O-N 3.3Å
49D98.8Very high95.1Very high5 Ų536.4 Ų36.43%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-118.9135.9-170.7177.979.9000113L18 T20 T80 K82 Q149 L256L18-D49 PolarHBondContact O-N 3.34Å; T20-D49 WeakPolarHBondContact CG2-O 3.34Å; T20-D49 PolarHBondContact N-O 2.86Å; T20-D49 PolarHBondContact OG1-O 3.36Å; D49-T80 CarbonylContact C-O 3.59Å; D49-T80 WeakPolarHBondContact CA-O 3.46Å; D49-T80 WeakPolarHBondContact CA-OG1 3.35Å; D49-T80 WeakPolarHBondContact CB-OG1 3.47Å; D49-T80 PolarHBondContact OD1-OG1 2.81Å; D49-K82 IonicContact OD1-NZ 2.98Å; D49-K82 PolarHBondContact OD1-NZ 2.99Å; D49-K82 IonicContact OD2-NZ 3.47Å; D49-K82 PolarHBondContact OD2-NZ 3.48Å; D49-Q149 PolarHBondContact OD1-NE2 2.59Å; D49-L256 HydrophobicContact CB-CD1 3.81Å; D49-L256 HydrophobicContact CB-CD2 3.77Å; D49-L256 HydrophobicContact CB-CG 4.43Å
50T98.1Very high95Very high3 Ų337.8 Ų37.82%0.01822%0.216CC..  trans-146.1-174.7-179.3-161.90000112.6T20 E60 L63 T80 T81 K82T20-T50 WeakPolarHBondContact OG1-CA 3.26Å; T20-T50 WeakPolarHBondContact OG1-CB 3.26Å; T20-T50 PolarHBondContact OG1-OG1 2.87Å; T50-E60 HydrophobicContact CG2-CG 3.72Å; T50-L63 HydrophobicContact CG2-CD2 3.86Å; T50-T80 PolarHBondContact N-O 2.98Å; T50-T81 WeakPolarHBondContact O-CA 3.23Å; T50-K82 PolarHBondContact O-N 3.38Å; T50-K82 PolarHBondContact O-NZ 3.35Å
51A91.7Very high94.9Very high2 Ų242.3 Ų42.32%0.01724%0.244CC..  trans-160.7150.2177.200000110.6V53 Y54 T81 K82A51-V53 HydrophobicContact CB-CG1 4.19Å; A51-V53 PolarHBondContact O-N 3.31Å; A51-Y54 HydrophobicContact CB-CD1 3.72Å; A51-Y54 HydrophobicContact CB-CD2 3.75Å; A51-Y54 HydrophobicContact CB-CE1 3.7Å; A51-Y54 HydrophobicContact CB-CE2 3.73Å; A51-Y54 HydrophobicContact CB-CG 3.74Å; A51-Y54 WeakPolarHBondContact O-CB 3.41Å; A51-Y54 PolarHBondContact O-N 3.38Å; A51-T81 WeakPolarHBondContact CA-OG1 3.19Å; A51-K82 HydrophobicContact CB-CB 3.84Å
52E84.4Confident94.8Very high47 Ų4740.5 Ų40.522%0.2224%0.237CC..THydrogen-bonded Turntrans-57.1-34.5175.966.7-177168.100112.3Y54 G57 K82 L83 Y84 W85 G86E52-Y54 VanDerWaalsContact C-N 3.29Å; E52-Y54 PolarHBondContact O-N 3.08Å; E52-G57 WeakPolarHBondContact O-CA 3.3Å; E52-G57 PolarHBondContact O-N 3.47Å; E52-K82 PolarHBondContact N-O 3.13Å; E52-L83 WeakPolarHBondContact OE1-CA 3.49Å; E52-Y84 PolarHBondContact OE1-N 2.65Å; E52-W85 VanDerWaalsContact OE1-C 3.31Å; E52-W85 PolarHBondContact OE1-N 3.44Å; E52-G86 PolarHBondContact OE1-N 2.95Å; E52-G86 WeakPolarHBondContact OE2-CA 3.48Å
53V88.6Confident94.8Very high64 Ų6434.1 Ų34.139%0.38821%0.208SC..THydrogen-bonded Turntrans-75.5-17.9-178.575.90000112.7A51 A55 A56 W85A51-V53 HydrophobicContact CB-CG1 4.19Å; A51-V53 PolarHBondContact O-N 3.31Å; V53-A55 PolarHBondContact O-N 2.88Å; V53-A55 VanDerWaalsContact O-N 3.09Å; V53-A56 PolarHBondContact O-N 3.45Å; V53-W85 HydrophobicContact CB-CB 3.98Å; V53-W85 HydrophobicContact CG1-CE3 4.27Å; V53-W85 HydrophobicContact CG2-CB 3.67Å; V53-W85 HydrophobicContact CG2-CE3 4.44Å; V53-W85 HydrophobicContact CG2-CG 4.31Å
54Y93.5Very high94.8Very high36 Ų3633.3 Ų33.314%0.14121%0.207CC..THydrogen-bonded Turntrans-70.8112.1-175.3-67.3-6.4000110.5W21 A51 E52 A56 G57 A59 K82W21-Y54 HydrophobicContact CB-CD1 4.45Å; W21-Y54 HydrophobicContact CB-CD2 4.06Å; W21-Y54 HydrophobicContact CB-CE1 4.06Å; W21-Y54 HydrophobicContact CB-CE2 3.63Å; W21-Y54 HydrophobicContact CB-CG 4.47Å; W21-Y54 AromaticContact CD1-CD1 3.53Å; W21-Y54 AromaticContact CD1-CE1 3.39Å; W21-Y54 AromaticContact CD1-CZ 3.9Å; W21-Y54 HydrophobicContact CG-CD1 4.29Å; W21-Y54 AromaticContact CG-CE1 3.87Å; W21-Y54 HydrophobicContact CG-CE1 3.87Å; W21-Y54 HydrophobicContact CG-CE2 4.34Å; W21-Y54 AromaticContact CG-CZ 3.9Å; A51-Y54 HydrophobicContact CB-CD1 3.72Å; A51-Y54 HydrophobicContact CB-CD2 3.75Å; A51-Y54 HydrophobicContact CB-CE1 3.7Å; A51-Y54 HydrophobicContact CB-CE2 3.73Å; A51-Y54 HydrophobicContact CB-CG 3.74Å; A51-Y54 WeakPolarHBondContact O-CB 3.41Å; A51-Y54 PolarHBondContact O-N 3.38Å; E52-Y54 VanDerWaalsContact C-N 3.29Å; E52-Y54 PolarHBondContact O-N 3.08Å; Y54-A56 PolarHBondContact O-N 2.84Å; Y54-G57 PolarHBondContact O-N 2.94Å; Y54-A59 WeakPolarHBondContact O-CB 3.36Å; Y54-A59 PolarHBondContact O-N 3.47Å; Y54-K82 WeakPolarHBondContact OH-CE 3.42Å
55A92.7Very high94.8Very high41 Ų4135.8 Ų35.834%0.33922%0.222SC..THydrogen-bonded Turntrans52.434.1-173.100000112.9G25 V53 K58G25-A55 WeakPolarHBondContact O-CB 3.46Å; V53-A55 PolarHBondContact O-N 2.88Å; V53-A55 VanDerWaalsContact O-N 3.09Å; A55-K58 HydrophobicContact CB-CB 3.98Å; A55-K58 WeakPolarHBondContact O-CB 3.47Å; A55-K58 WeakPolarHBondContact O-CG 3.15Å; A55-K58 PolarHBondContact O-N 3.39Å
56A90Very high94.8Very high92 Ų9236 Ų3676%0.7622%0.223SC*.THydrogen-bonded Turntrans51.457.9-176.600000112.3V53 Y54 K58V53-A56 PolarHBondContact O-N 3.45Å; Y54-A56 PolarHBondContact O-N 2.84Å; A56-K58 VanDerWaalsContact C-N 3.25Å; A56-K58 PolarHBondContact O-N 2.89Å
57G86.2Confident94.8Very high20 Ų2036.6 Ų36.621%0.20623%0.226CC..THydrogen-bonded Turntrans81.4-17.4179.200000115.4E52 Y54 A59 E60 V61E52-G57 WeakPolarHBondContact O-CA 3.3Å; E52-G57 PolarHBondContact O-N 3.47Å; Y54-G57 PolarHBondContact O-N 2.94Å; G57-A59 VanDerWaalsContact C-N 3.26Å; G57-A59 PolarHBondContact O-N 3.43Å; G57-E60 PolarHBondContact O-N 2.97Å; G57-E60 VanDerWaalsContact O-N 3.11Å; G57-V61 PolarHBondContact O-N 3.35Å
58K93.8Very high94.8Very high131 Ų13145.3 Ų45.357%0.5726%0.264SS*.Hα-helixtrans-61.3-33.2-177.7-67.7-178179.4-1760113.3A55 A56 E60 V61 I62A55-K58 HydrophobicContact CB-CB 3.98Å; A55-K58 WeakPolarHBondContact O-CB 3.47Å; A55-K58 WeakPolarHBondContact O-CG 3.15Å; A55-K58 PolarHBondContact O-N 3.39Å; A56-K58 VanDerWaalsContact C-N 3.25Å; A56-K58 PolarHBondContact O-N 2.89Å; K58-E60 VanDerWaalsContact C-N 3.29Å; K58-E60 PolarHBondContact O-N 3.25Å; K58-V61 PolarHBondContact O-N 3.3Å; K58-I62 WeakPolarHBondContact O-CD1 3.47Å; K58-I62 WeakPolarHBondContact O-CG1 3.29Å; K58-I62 PolarHBondContact O-N 2.81Å
59A96.1Very high94.8Very high0 Ų052 Ų520%029%0.293CS..Hα-helixtrans-60.6-40177.200000112F24 Y54 G57 L63F24-A59 HydrophobicContact CB-CB 4Å; Y54-A59 WeakPolarHBondContact O-CB 3.36Å; Y54-A59 PolarHBondContact O-N 3.47Å; G57-A59 VanDerWaalsContact C-N 3.26Å; G57-A59 PolarHBondContact O-N 3.43Å; A59-L63 WeakPolarHBondContact O-CB 3.4Å; A59-L63 PolarHBondContact O-N 3.02Å
60E96Very high94.8Very high63 Ų6355 Ų5529%0.29431%0.306SS..Hα-helixtrans-70.1-40.5178.1-58.8-170.8121.500111.7T50 G57 K58 I62 L63 G64 T81T50-E60 HydrophobicContact CG2-CG 3.72Å; G57-E60 PolarHBondContact O-N 2.97Å; G57-E60 VanDerWaalsContact O-N 3.11Å; K58-E60 VanDerWaalsContact C-N 3.29Å; K58-E60 PolarHBondContact O-N 3.25Å; E60-I62 PolarHBondContact O-N 3.16Å; E60-L63 PolarHBondContact O-N 2.63Å; E60-G64 PolarHBondContact O-N 3.48Å; E60-T81 WeakPolarHBondContact OE1-CB 3.48Å; E60-T81 PolarHBondContact OE1-OG1 3.45Å
61V96.4Very high94.7Very high96 Ų9657.8 Ų57.858%0.58234%0.335SS*.Hα-helixtrans-59.7-45.9176174.90000111.1G57 K58 S65G57-V61 PolarHBondContact O-N 3.35Å; K58-V61 PolarHBondContact O-N 3.3Å; V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.43Å; V61-S65 PolarHBondContact O-N 3.09Å; V61-S65 PolarHBondContact O-OG 2.97Å
62I97.7Very high95.1Very high14 Ų1459.5 Ų59.57%0.07234%0.341CS..Hα-helixtrans-67-47.3179.4-69.8160.4000110.6F24 D30 A33 K58 E60 G64 S65 I66F24-I62 HydrophobicContact CD2-CB 4.42Å; F24-I62 HydrophobicContact CD2-CG2 3.78Å; F24-I62 HydrophobicContact CE2-CG2 4.41Å; D30-I62 WeakPolarHBondContact OD1-CD1 3.33Å; A33-I62 HydrophobicContact CB-CG2 3.9Å; K58-I62 WeakPolarHBondContact O-CD1 3.47Å; K58-I62 WeakPolarHBondContact O-CG1 3.29Å; K58-I62 PolarHBondContact O-N 2.81Å; E60-I62 PolarHBondContact O-N 3.16Å; I62-G64 VanDerWaalsContact C-N 3.33Å; I62-G64 PolarHBondContact O-N 3.06Å; I62-S65 PolarHBondContact O-N 3.36Å; I62-I66 HydrophobicContact CG2-CD1 3.73Å; I62-I66 HydrophobicContact CG2-CG1 4.45Å; I62-I66 VanDerWaalsContact O-CG1 3.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.35Å; I62-I66 PolarHBondContact O-N 2.85Å
63L97.8Very high95.7Very high5 Ų565.7 Ų65.73%0.02636%0.362CS..Hα-helixtrans-55.4-48.4176.7-177.170000111.4T20 F24 M37 F48 T50 A59 E60 I66 I67 I79T20-L63 HydrophobicContact CG2-CD1 4.43Å; F24-L63 HydrophobicContact CE2-CD1 4.47Å; M37-L63 HydrophobicContact CE-CD1 3.42Å; M37-L63 VanDerWaalsContact CE-CD1 3.42Å; M37-L63 HydrophobicContact CE-CG 4.42Å; M37-L63 HydrophobicContact SD-CD1 3.58Å; M37-L63 VanDerWaalsContact SD-CD1 3.58Å; F48-L63 HydrophobicContact CB-CD1 4.26Å; T50-L63 HydrophobicContact CG2-CD2 3.86Å; A59-L63 WeakPolarHBondContact O-CB 3.4Å; A59-L63 PolarHBondContact O-N 3.02Å; E60-L63 PolarHBondContact O-N 2.63Å; L63-I66 PolarHBondContact O-N 3.47Å; L63-I67 HydrophobicContact CG-CD1 4.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.14Å; L63-I67 PolarHBondContact O-N 3.46Å; L63-I79 HydrophobicContact CD2-CG2 4.13Å
64G97.2Very high96.2Very high37 Ų3769.9 Ų69.938%0.38137%0.371SS..Hα-helixtrans-64.1-40.2178.100000113.1E60 I62 I67 K68E60-G64 PolarHBondContact O-N 3.48Å; I62-G64 VanDerWaalsContact C-N 3.33Å; I62-G64 PolarHBondContact O-N 3.06Å; G64-I67 PolarHBondContact O-N 2.92Å; G64-K68 WeakPolarHBondContact O-CB 3.49Å; G64-K68 PolarHBondContact O-N 3.11Å
65S98Very high96.3Very high69 Ų6973.4 Ų73.448%0.48340%0.401SS..Hα-helixtrans-63.5-41.6177.4-62.20000111.8V61 I62 K68 K69V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.43Å; V61-S65 PolarHBondContact O-N 3.09Å; V61-S65 PolarHBondContact O-OG 2.97Å; I62-S65 PolarHBondContact O-N 3.36Å; S65-K68 PolarHBondContact O-N 2.93Å; S65-K69 VanDerWaalsContact O-CB 3.26Å; S65-K69 WeakPolarHBondContact O-CB 3.28Å; S65-K69 PolarHBondContact O-N 2.66Å
66I98.6Very high96.6Very high7 Ų772.9 Ų72.94%0.03640%0.395CS..Hα-helixtrans-64.4-47.8175.5-64.5159.7000110.5F24 A33 E34 M37 I62 L63 K68 K69 K70 W72F24-I66 HydrophobicContact CE2-CD1 3.96Å; A33-I66 HydrophobicContact CB-CD1 4.11Å; E34-I66 HydrophobicContact CB-CD1 4.2Å; E34-I66 HydrophobicContact CB-CG1 4.04Å; E34-I66 HydrophobicContact CG-CG1 4.42Å; E34-I66 HydrophobicContact CG-CG2 4.2Å; M37-I66 HydrophobicContact CB-CG2 4.18Å; M37-I66 HydrophobicContact CG-CG2 4.32Å; M37-I66 HydrophobicContact SD-CB 3.89Å; M37-I66 HydrophobicContact SD-CD1 4.36Å; M37-I66 HydrophobicContact SD-CG2 3.49Å; M37-I66 WeakPolarHBondContact SD-CG2 3.44Å; I62-I66 HydrophobicContact CG2-CD1 3.73Å; I62-I66 HydrophobicContact CG2-CG1 4.45Å; I62-I66 VanDerWaalsContact O-CG1 3.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.35Å; I62-I66 PolarHBondContact O-N 2.85Å; L63-I66 PolarHBondContact O-N 3.47Å; I66-K68 VanDerWaalsContact C-N 3.3Å; I66-K68 PolarHBondContact O-N 2.91Å; I66-K69 PolarHBondContact O-N 3.26Å; I66-K70 HydrophobicContact CG2-CG 3.95Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 VanDerWaalsContact O-CG 3.26Å; I66-K70 WeakPolarHBondContact O-CG 3.29Å; I66-K70 PolarHBondContact O-N 3.47Å; I66-W72 HydrophobicContact CG2-CH2 4.48Å; I66-W72 HydrophobicContact CG2-CZ3 4.28Å
67I98.4Very high97Very high34 Ų3468.9 Ų68.917%0.17436%0.361CS..Hα-helixtrans-57-46.7178.2-67.8166.6000110.5M37 L63 G64 G71 L77 I79M37-I67 HydrophobicContact CE-CD1 3.93Å; M37-I67 HydrophobicContact CE-CG1 3.49Å; M37-I67 VanDerWaalsContact CE-CG1 3.49Å; M37-I67 HydrophobicContact SD-CG1 4.37Å; L63-I67 HydrophobicContact CG-CD1 4.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.14Å; L63-I67 PolarHBondContact O-N 3.46Å; G64-I67 PolarHBondContact O-N 2.92Å; I67-G71 PolarHBondContact O-N 3.4Å; I67-G71 VanDerWaalsContact O-N 3.11Å; I67-L77 HydrophobicContact CD1-CD1 4.3Å; I67-L77 HydrophobicContact CG1-CD1 4.16Å; I67-L77 HydrophobicContact CG2-CD1 3.89Å; I67-I79 HydrophobicContact CD1-CD1 3.74Å; I67-I79 HydrophobicContact CD1-CG1 4.2Å
68K98.1Very high97.6Very high184 Ų18468.7 Ų68.780%0.836%0.356SS*.Hα-helixtrans-61.8-46.5178-174.5178.6179.8-1790111.6G64 S65 I66 G71G64-K68 WeakPolarHBondContact O-CB 3.49Å; G64-K68 PolarHBondContact O-N 3.11Å; S65-K68 PolarHBondContact O-N 2.93Å; I66-K68 VanDerWaalsContact C-N 3.3Å; I66-K68 PolarHBondContact O-N 2.91Å; K68-G71 PolarHBondContact O-N 3.31Å
69K98.3Very high97.8Very high141 Ų14165 Ų6561%0.61334%0.341SS*.Hα-helixtrans-63.3-43.5179.8-178.9-178177.1-172.20112.3E34 S65 I66 G71E34-K69 WeakPolarHBondContact OE1-CE 3.37Å; E34-K69 IonicContact OE1-NZ 3.71Å; E34-K69 PolarHBondContact OE1-NZ 3.27Å; E34-K69 IonicContact OE2-NZ 2.62Å; E34-K69 PolarHBondContact OE2-NZ 2.78Å; S65-K69 VanDerWaalsContact O-CB 3.26Å; S65-K69 WeakPolarHBondContact O-CB 3.28Å; S65-K69 PolarHBondContact O-N 2.66Å; I66-K69 PolarHBondContact O-N 3.26Å; K69-G71 VanDerWaalsContact C-N 3.32Å
70K98.3Very high97.9Very high70 Ų7066.3 Ų66.330%0.30435%0.349SS..Hα-helixtrans-77.5-17.3-176.8-62.8-68.9-70.1-164.70113.1T38 I66 W72T38-K70 WeakPolarHBondContact OG1-CE 3.44Å; T38-K70 PolarHBondContact OG1-NZ 3.11Å; T38-K70 VanDerWaalsContact OG1-NZ 3.17Å; I66-K70 HydrophobicContact CG2-CG 3.95Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 VanDerWaalsContact O-CG 3.26Å; I66-K70 WeakPolarHBondContact O-CG 3.29Å; I66-K70 PolarHBondContact O-N 3.47Å; K70-W72 HydrophobicContact CB-CD2 3.67Å; K70-W72 HydrophobicContact CB-CE3 3.99Å; K70-W72 HydrophobicContact CB-CG 4.12Å; K70-W72 HydrophobicContact CB-CH2 4.22Å; K70-W72 HydrophobicContact CB-CZ2 3.92Å; K70-W72 HydrophobicContact CB-CZ3 4.23Å; K70-W72 HydrophobicContact CD-CZ2 4.24Å; K70-W72 VanDerWaalsContact CE-CZ2 3.44Å; K70-W72 HydrophobicContact CG-CD2 4.41Å; K70-W72 HydrophobicContact CG-CE3 4.45Å; K70-W72 HydrophobicContact CG-CH2 3.88Å; K70-W72 HydrophobicContact CG-CZ2 3.83Å; K70-W72 HydrophobicContact CG-CZ3 4.17Å; K70-W72 PolarHBondContact O-N 3.13Å
71G97.9Very high97.8Very high61 Ų6166.6 Ų66.663%0.62936%0.356SS*.THydrogen-bonded Turntrans63.623.6177.900000113.6I67 K68 K69I67-G71 PolarHBondContact O-N 3.4Å; I67-G71 VanDerWaalsContact O-N 3.11Å; K68-G71 PolarHBondContact O-N 3.31Å; K69-G71 VanDerWaalsContact C-N 3.32Å
72W98.3Very high97.6Very high37 Ų3763.8 Ų63.814%0.1434%0.335CS..  trans-64.1140.5177.8-65-37.3000110.6M37 Y41 I66 K70 R74 L77M37-W72 HydrophobicContact CB-CH2 4.46Å; M37-W72 HydrophobicContact CE-CE3 4.39Å; M37-W72 HydrophobicContact CE-CZ3 3.81Å; M37-W72 HydrophobicContact CG-CH2 4.05Å; M37-W72 HydrophobicContact CG-CZ3 3.81Å; M37-W72 HydrophobicContact SD-CZ3 3.83Å; Y41-W72 AromaticContact CD1-CD1 3.9Å; Y41-W72 AromaticContact CD1-CD2 3.98Å; Y41-W72 HydrophobicContact CD1-CD2 3.98Å; Y41-W72 AromaticContact CD1-CE2 3.46Å; Y41-W72 VanDerWaalsContact CD1-CE2 3.46Å; Y41-W72 HydrophobicContact CD1-CG 4.22Å; Y41-W72 AromaticContact CD1-CZ2 3.82Å; Y41-W72 HydrophobicContact CD1-CZ2 3.82Å; Y41-W72 AromaticContact CD1-NE1 3.41Å; Y41-W72 AromaticContact CD2-CD2 3.99Å; Y41-W72 HydrophobicContact CD2-CD2 3.99Å; Y41-W72 HydrophobicContact CD2-CE3 4.15Å; Y41-W72 HydrophobicContact CD2-CG 4.35Å; Y41-W72 AromaticContact CE1-CD1 3.45Å; Y41-W72 VanDerWaalsContact CE1-CD1 3.45Å; Y41-W72 HydrophobicContact CE1-CD2 4.12Å; Y41-W72 AromaticContact CE1-CE2 3.87Å; Y41-W72 AromaticContact CE1-CG 3.86Å; Y41-W72 HydrophobicContact CE1-CG 3.86Å; Y41-W72 AromaticContact CE1-NE1 3.43Å; Y41-W72 HydrophobicContact CE2-CB 4.22Å; Y41-W72 HydrophobicContact CE2-CD2 4.12Å; Y41-W72 HydrophobicContact CE2-CG 4Å; Y41-W72 AromaticContact CG-CD2 3.91Å; Y41-W72 HydrophobicContact CG-CD2 3.91Å; Y41-W72 AromaticContact CG-CE2 3.66Å; Y41-W72 HydrophobicContact CG-CE3 4.26Å; Y41-W72 HydrophobicContact CG-CG 4.45Å; Y41-W72 HydrophobicContact CG-CH2 4.17Å; Y41-W72 AromaticContact CG-CZ2 3.79Å; Y41-W72 HydrophobicContact CG-CZ2 3.79Å; Y41-W72 HydrophobicContact CG-CZ3 4.4Å; Y41-W72 AromaticContact CZ-CD1 3.73Å; Y41-W72 AromaticContact CZ-CG 3.74Å; I66-W72 HydrophobicContact CG2-CH2 4.48Å; I66-W72 HydrophobicContact CG2-CZ3 4.28Å; K70-W72 HydrophobicContact CB-CD2 3.67Å; K70-W72 HydrophobicContact CB-CE3 3.99Å; K70-W72 HydrophobicContact CB-CG 4.12Å; K70-W72 HydrophobicContact CB-CH2 4.22Å; K70-W72 HydrophobicContact CB-CZ2 3.92Å; K70-W72 HydrophobicContact CB-CZ3 4.23Å; K70-W72 HydrophobicContact CD-CZ2 4.24Å; K70-W72 VanDerWaalsContact CE-CZ2 3.44Å; K70-W72 HydrophobicContact CG-CD2 4.41Å; K70-W72 HydrophobicContact CG-CE3 4.45Å; K70-W72 HydrophobicContact CG-CH2 3.88Å; K70-W72 HydrophobicContact CG-CZ2 3.83Å; K70-W72 HydrophobicContact CG-CZ3 4.17Å; K70-W72 PolarHBondContact O-N 3.13Å; W72-R74 PolarHBondContact O-N 3.43Å; W72-L77 HydrophobicContact CB-CD1 4.2Å
73R98.1Very high96.9Very high178 Ų17868.5 Ų68.567%0.67236%0.36SS*.  trans-60127.7179.4-65.3-169.4-60.8-91.60.7109.5S75 S76R73-S75 PolarHBondContact O-N 3.45Å; R73-S75 VanDerWaalsContact O-N 3.08Å; R73-S76 PolarHBondContact O-N 3.48Å; R73-S76 PolarHBondContact O-OG 3.48Å
74R98.1Very high96.1Very high152 Ų15273.8 Ų73.857%0.57438%0.381SS*.G310 helixtrans-56-32.1177.7179.760-172.586.9-3.7112.6W72 S76 L77W72-R74 PolarHBondContact O-N 3.43Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 2.92Å; R74-L77 PolarHBondContact NH1-O 3.19Å; R74-L77 PolarHBondContact O-N 2.98Å
75S97.3Very high94.9Very high109 Ų10978.5 Ų78.576%0.76239%0.387SS*.G310 helixtrans-71.5-14.9178.155.20000114.8R73R73-S75 PolarHBondContact O-N 3.45Å; R73-S75 VanDerWaalsContact O-N 3.08Å
76S97.8Very high93.5Very high31 Ų3177.5 Ų77.522%0.21739%0.387CS..G310 helixtrans-91.9-2.3172.962.10000113.4Y41 N46 R73 R74Y41-S76 PolarHBondContact OH-OG 3.22Å; N46-S76 WeakPolarHBondContact CB-O 3.26Å; R73-S76 PolarHBondContact O-N 3.48Å; R73-S76 PolarHBondContact O-OG 3.48Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 2.92Å
77L98.4Very high92.1Very high7 Ų779 Ų794%0.03740%0.404CS..  trans-112.7140.1-175.5-65.4170.7000112.2Y41 F48 I67 W72 R74 I79Y41-L77 HydrophobicContact CD2-CD2 3.68Å; Y41-L77 HydrophobicContact CE2-CD2 3.6Å; Y41-L77 HydrophobicContact CE2-CG 4.33Å; F48-L77 HydrophobicContact CD2-CD2 3.95Å; F48-L77 HydrophobicContact CE2-CD2 3.57Å; I67-L77 HydrophobicContact CD1-CD1 4.3Å; I67-L77 HydrophobicContact CG1-CD1 4.16Å; I67-L77 HydrophobicContact CG2-CD1 3.89Å; W72-L77 HydrophobicContact CB-CD1 4.2Å; R74-L77 PolarHBondContact NH1-O 3.19Å; R74-L77 PolarHBondContact O-N 2.98Å; L77-I79 HydrophobicContact CB-CD1 4.11Å; L77-I79 HydrophobicContact CB-CG1 4.31Å
78V98.7Very high90.9Very high17 Ų1786.9 Ų86.910%0.10344%0.438CS..EExtended strand (participates in β ladder)trans-112.7107.2165.4-176.50000107.4L11 V13 N46 L47 F48L11-V78 HydrophobicContact CD1-CG1 4.39Å; L11-V78 HydrophobicContact CD1-CG2 3.96Å; L11-V78 HydrophobicContact CD2-CG1 4.02Å; V13-V78 HydrophobicContact CG1-CG1 4.15Å; V13-V78 HydrophobicContact CG1-CG2 4.4Å; N46-V78 WeakPolarHBondContact O-CA 3.29Å; N46-V78 PolarHBondContact O-N 2.97Å; L47-V78 WeakPolarHBondContact CA-O 3.24Å; L47-V78 HydrophobicContact CD1-CB 4.2Å; L47-V78 HydrophobicContact CD1-CG1 3.74Å; F48-V78 PolarHBondContact N-O 3.44Å
79I98.3Very high89.4Confident52 Ų5280.2 Ų80.227%0.26742%0.417SS..EExtended strand (participates in β ladder)trans-105.8127.4179-51.4-56.8000108.1F48 L63 I67 L77F48-I79 HydrophobicContact CB-CD1 3.89Å; F48-I79 HydrophobicContact CD2-CD1 4.06Å; F48-I79 HydrophobicContact CG-CD1 4.36Å; F48-I79 WeakPolarHBondContact O-CA 3.37Å; L63-I79 HydrophobicContact CD2-CG2 4.13Å; I67-I79 HydrophobicContact CD1-CD1 3.74Å; I67-I79 HydrophobicContact CD1-CG1 4.2Å; L77-I79 HydrophobicContact CB-CD1 4.11Å; L77-I79 HydrophobicContact CB-CG1 4.31Å
80T97.3Very high87.8Confident28 Ų2879.9 Ų79.917%0.17242%0.417CS..EExtended strand (participates in β ladder)trans-118.4135.9174.957.70000110.1L47 F48 D49 T50L47-T80 HydrophobicContact CD1-CG2 3.96Å; F48-T80 PolarHBondContact O-N 3.3Å; D49-T80 CarbonylContact C-O 3.59Å; D49-T80 WeakPolarHBondContact CA-O 3.46Å; D49-T80 WeakPolarHBondContact CA-OG1 3.35Å; D49-T80 WeakPolarHBondContact CB-OG1 3.47Å; D49-T80 PolarHBondContact OD1-OG1 2.81Å; T50-T80 PolarHBondContact N-O 2.98Å
81T94.6Very high86.1Confident69 Ų6983.1 Ų83.142%0.42344%0.443SS..  trans-125.1163.9168.8-166.80000110.6T50 A51 E60T50-T81 WeakPolarHBondContact O-CA 3.23Å; A51-T81 WeakPolarHBondContact CA-OG1 3.19Å; E60-T81 WeakPolarHBondContact OE1-CB 3.48Å; E60-T81 PolarHBondContact OE1-OG1 3.45Å
82K91.4Very high84.3Confident37 Ų3784.7 Ų84.716%0.16143%0.434CS..  trans-125.8136.8-178-71.3174-71.6-55.10109.9D49 T50 A51 E52 Y54D49-K82 IonicContact OD1-NZ 2.98Å; D49-K82 PolarHBondContact OD1-NZ 2.99Å; D49-K82 IonicContact OD2-NZ 3.47Å; D49-K82 PolarHBondContact OD2-NZ 3.48Å; T50-K82 PolarHBondContact O-N 3.38Å; T50-K82 PolarHBondContact O-NZ 3.35Å; A51-K82 HydrophobicContact CB-CB 3.84Å; E52-K82 PolarHBondContact N-O 3.13Å; Y54-K82 WeakPolarHBondContact OH-CE 3.42Å
83L83.8Confident82.5Confident113 Ų11389 Ų8959%0.59245%0.45SS*.  trans-117.3130.1-178.4-55.1176.7000109.6E52E52-L83 WeakPolarHBondContact OE1-CA 3.49Å
84Y81.6Confident80.8Confident116 Ų11682.1 Ų82.146%0.45544%0.435SS..SBendtrans-173-36.5168.6-166.3-85.4000112.5E52E52-Y84 PolarHBondContact OE1-N 2.65Å
85W72.6Confident78.8Confident137 Ų13780 Ų8052%0.51943%0.434SS..BIsolated β-bridgetrans-126.182.2-173.4-68.1-73.7000109.9E52 V53E52-W85 VanDerWaalsContact OE1-C 3.31Å; E52-W85 PolarHBondContact OE1-N 3.44Å; V53-W85 HydrophobicContact CB-CB 3.98Å; V53-W85 HydrophobicContact CG1-CE3 4.27Å; V53-W85 HydrophobicContact CG2-CB 3.67Å; V53-W85 HydrophobicContact CG2-CE3 4.44Å; V53-W85 HydrophobicContact CG2-CG 4.31Å
86G66.7Low76.5Confident47 Ų4778.7 Ų78.749%0.48543%0.425SS..  trans-90.7-17.1-177.100000114.6E52 E92E52-G86 PolarHBondContact OE1-N 2.95Å; E52-G86 WeakPolarHBondContact OE2-CA 3.48Å; G86-E92 PolarHBondContact N-O 3.16Å
87G70.1Confident74.3Confident38 Ų3886 Ų8639%0.39245%0.448SS..  trans-177.7-163.3-174.900000114.7E92G87-E92 WeakPolarHBondContact CA-OE2 3.29Å
88K74.1Confident71.5Confident201 Ų20194.1 Ų94.187%0.87448%0.483SS*.SBendtrans-98.1-21.1-174.7-69-174.6-178.6178.80113.1E92K88-E92 PolarHBondContact N-OE2 3.11Å
89A65.9Low69.4Low44 Ų4499.8 Ų99.836%0.36451%0.508SS..SBendtrans-70.9156-179.800000111.3T91 E92A89-T91 PolarHBondContact O-N 3.5Å; A89-E92 HydrophobicContact CB-CB 4.36Å; A89-E92 HydrophobicContact CB-CG 3.88Å; A89-E92 WeakPolarHBondContact CB-OE2 3.11Å; A89-E92 PolarHBondContact N-OE2 3.15Å; A89-E92 WeakPolarHBondContact O-CB 3.26Å; A89-E92 PolarHBondContact O-N 3.32Å
90E64.4Low68Low134 Ų13498.4 Ų98.463%0.62650%0.501SS*.G310 helixtrans-60-34.7179.7-168.861-158.100112.1E92 R93E90-E92 VanDerWaalsContact C-N 3.27Å; E90-E92 PolarHBondContact O-N 2.88Å; E90-R93 WeakPolarHBondContact O-CG 3.17Å; E90-R93 VanDerWaalsContact O-O 3.04Å; E90-R93 IonicContact OE2-CZ 3.24Å; E90-R93 VanDerWaalsContact OE2-CZ 3.24Å; E90-R93 IonicContact OE2-NE 3.97Å; E90-R93 PolarHBondContact OE2-NE 3.33Å; E90-R93 IonicContact OE2-NH2 2.65Å; E90-R93 PolarHBondContact OE2-NH2 3.37Å
91T63.5Low67.1Low138 Ų13897.5 Ų97.585%0.84750%0.495SS*.G310 helixtrans-80.7-3.5176.950.80000114A89A89-T91 PolarHBondContact O-N 3.5Å
92E60.2Low66.2Low93 Ų9396.9 Ų96.944%0.43549%0.487SS..G310 helixtrans-99.69.9176.7-63.5171.8153.200111.7G86 G87 K88 A89 E90G86-E92 PolarHBondContact N-O 3.16Å; G87-E92 WeakPolarHBondContact CA-OE2 3.29Å; K88-E92 PolarHBondContact N-OE2 3.11Å; A89-E92 HydrophobicContact CB-CB 4.36Å; A89-E92 HydrophobicContact CB-CG 3.88Å; A89-E92 WeakPolarHBondContact CB-OE2 3.11Å; A89-E92 PolarHBondContact N-OE2 3.15Å; A89-E92 WeakPolarHBondContact O-CB 3.26Å; A89-E92 PolarHBondContact O-N 3.32Å; E90-E92 VanDerWaalsContact C-N 3.27Å; E90-E92 PolarHBondContact O-N 2.88Å
93R60Low65.7Low129 Ų129100.8 Ų100.849%0.48751%0.506SS..BIsolated β-bridgetrans-146.5146.8178.963.7-175.8-178.7-172.3-1.9112.5E90E90-R93 WeakPolarHBondContact O-CG 3.17Å; E90-R93 VanDerWaalsContact O-O 3.04Å; E90-R93 IonicContact OE2-CZ 3.24Å; E90-R93 VanDerWaalsContact OE2-CZ 3.24Å; E90-R93 IonicContact OE2-NE 3.97Å; E90-R93 PolarHBondContact OE2-NE 3.33Å; E90-R93 IonicContact OE2-NH2 2.65Å; E90-R93 PolarHBondContact OE2-NH2 3.37Å
94G62.5Low65.9Low33 Ų3396.1 Ų96.134%0.3448%0.481SS..  trans76.6171.9163.400000115.9
95L55.8Low66.3Low106 Ų10690.6 Ų90.656%0.55546%0.46SS*.  trans-156.6136.5-166.8-69.5175.1000105.4I100 I104L95-I100 HydrophobicContact CB-CB 4.48Å; L95-I100 HydrophobicContact CB-CD1 3.49Å; L95-I100 VanDerWaalsContact CB-CD1 3.49Å; L95-I100 HydrophobicContact CB-CG1 3.51Å; L95-I100 HydrophobicContact CB-CG2 3.99Å; L95-I100 WeakPolarHBondContact O-CD1 3.37Å; L95-I104 HydrophobicContact CD1-CD1 3.33Å; L95-I104 HydrophobicContact CD1-CG1 3.79Å; L95-I104 HydrophobicContact CD2-CG1 4.33Å; L95-I104 HydrophobicContact CG-CD1 4.34Å
96S48.1Very low66.9Low82 Ų8288.8 Ų88.857%0.57345%0.453SS*.  trans-93.1114173.969.90000123.3K98 H99 I100S96-K98 PolarHBondContact O-N 2.97Å; S96-K98 VanDerWaalsContact O-N 3.07Å; S96-H99 PolarHBondContact O-N 3.33Å; S96-I100 WeakPolarHBondContact O-CB 3.4Å; S96-I100 WeakPolarHBondContact O-CG1 3.28Å; S96-I100 PolarHBondContact O-N 3.14Å
97R52.7Low67.9Low185 Ų18588.9 Ų88.970%0.69845%0.449SS*.Hα-helixtrans-28.6-58.7-153.8-160.3172.8-179.6166.20.5122.7I100R97-I100 VanDerWaalsContact CA-CD1 3.5Å
98K39.6Very low69Low177 Ų17789.6 Ų89.677%0.7744%0.443SS*.Hα-helixtrans-91.4-36.8-171.2-175.1178175.8-179.90113.5S96 I100S96-K98 PolarHBondContact O-N 2.97Å; S96-K98 VanDerWaalsContact O-N 3.07Å; K98-I100 VanDerWaalsContact C-N 3.31Å
99H53.4Low69.8Low137 Ų13780.4 Ų80.463%0.63440%0.403SS*.Hα-helixtrans-72.6-29.2169.9-120.367.2000110.7S96 I101 E103S96-H99 PolarHBondContact O-N 3.33Å; H99-I101 PolarHBondContact O-N 3.27Å; H99-E103 WeakPolarHBondContact O-CB 3.47Å; H99-E103 PolarHBondContact O-N 3.36Å
100I69Low71Confident22 Ų2283.4 Ų83.411%0.11341%0.41CS..Hα-helixtrans-53.2-56.2173.8-77.9168.2000112.8L95 S96 R97 K98 E102 E103 I104L95-I100 HydrophobicContact CB-CB 4.48Å; L95-I100 HydrophobicContact CB-CD1 3.49Å; L95-I100 VanDerWaalsContact CB-CD1 3.49Å; L95-I100 HydrophobicContact CB-CG1 3.51Å; L95-I100 HydrophobicContact CB-CG2 3.99Å; L95-I100 WeakPolarHBondContact O-CD1 3.37Å; S96-I100 WeakPolarHBondContact O-CB 3.4Å; S96-I100 WeakPolarHBondContact O-CG1 3.28Å; S96-I100 PolarHBondContact O-N 3.14Å; R97-I100 VanDerWaalsContact CA-CD1 3.5Å; K98-I100 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 2.85Å; I100-E103 CarbonylContact O-C 3.55Å; I100-E103 PolarHBondContact O-N 3.42Å; I100-E103 VanDerWaalsContact O-N 3.12Å; I100-I104 HydrophobicContact CG2-CB 4.34Å; I100-I104 HydrophobicContact CG2-CD1 3.04Å; I100-I104 HydrophobicContact CG2-CG1 3.48Å; I100-I104 VanDerWaalsContact CG2-CG1 3.48Å; I100-I104 WeakPolarHBondContact O-CA 3.32Å; I100-I104 VanDerWaalsContact O-CB 3.23Å; I100-I104 WeakPolarHBondContact O-CB 3.47Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.46Å; I100-I104 PolarHBondContact O-N 3.47Å
101I79.1Confident72.2Confident9 Ų979 Ų795%0.04639%0.392CS..Hα-helixtrans-70.2-37-161-69.5173.4000108H99 V105 W125 E132 A133 V136H99-I101 PolarHBondContact O-N 3.27Å; I101-V105 HydrophobicContact CG2-CG2 4.27Å; I101-V105 WeakPolarHBondContact O-CB 3.37Å; I101-V105 WeakPolarHBondContact O-CG2 3.42Å; I101-V105 PolarHBondContact O-N 2.98Å; I101-W125 HydrophobicContact CD1-CZ3 4.48Å; I101-W125 HydrophobicContact CG1-CH2 4.35Å; I101-W125 HydrophobicContact CG1-CZ3 4.35Å; I101-E132 HydrophobicContact CD1-CB 4.13Å; I101-E132 HydrophobicContact CD1-CG 3.83Å; I101-E132 WeakPolarHBondContact CD1-OE2 3.33Å; I101-E132 HydrophobicContact CG2-CG 4.13Å; I101-A133 HydrophobicContact CG2-CB 3.98Å; I101-V136 HydrophobicContact CG2-CG2 4.08Å
102E76.3Confident73.7Confident57 Ų5773.6 Ų73.627%0.26636%0.358SS..Hα-helixtrans-59.3-52.3166.8-168.9177.7157.900113I100 V105 R106 V136 F140I100-E102 PolarHBondContact O-N 2.85Å; E102-V105 PolarHBondContact O-N 3.12Å; E102-R106 HydrophobicContact CG-CG 4.48Å; E102-R106 WeakPolarHBondContact O-CB 3.41Å; E102-R106 VanDerWaalsContact O-CG 3.28Å; E102-R106 WeakPolarHBondContact O-CG 3.29Å; E102-R106 PolarHBondContact O-N 3.27Å; E102-R106 IonicContact OE1-CZ 3.59Å; E102-R106 VanDerWaalsContact OE1-CZ 3.25Å; E102-R106 IonicContact OE1-NE 2.83Å; E102-R106 PolarHBondContact OE1-NE 3.28Å; E102-R106 IonicContact OE1-NH2 3.21Å; E102-R106 PolarHBondContact OE1-NH2 2.95Å; E102-V136 HydrophobicContact CB-CG1 4.18Å; E102-V136 HydrophobicContact CG-CG1 4.21Å; E102-F140 HydrophobicContact CG-CD2 4.31Å; E102-F140 HydrophobicContact CG-CE2 4.17Å
103E81.3Confident75.3Confident118 Ų11874.6 Ų74.655%0.55137%0.366SS*.Hα-helixtrans-65.9-40.9-176.8-169.5177.9161.300113.1H99 I100 R106 A107H99-E103 WeakPolarHBondContact O-CB 3.47Å; H99-E103 PolarHBondContact O-N 3.36Å; I100-E103 CarbonylContact O-C 3.55Å; I100-E103 PolarHBondContact O-N 3.42Å; I100-E103 VanDerWaalsContact O-N 3.12Å; E103-R106 PolarHBondContact O-N 3.28Å; E103-A107 WeakPolarHBondContact O-CB 3.33Å; E103-A107 PolarHBondContact O-N 3Å
104I87.6Confident77Confident15 Ų1574.3 Ų74.38%0.07737%0.37CS..Hα-helixtrans-59.5-51.9171.1-74.1-178.7000109.1L95 I100 R106 A107 M108 W120 W125L95-I104 HydrophobicContact CD1-CD1 3.33Å; L95-I104 HydrophobicContact CD1-CG1 3.79Å; L95-I104 HydrophobicContact CD2-CG1 4.33Å; L95-I104 HydrophobicContact CG-CD1 4.34Å; I100-I104 HydrophobicContact CG2-CB 4.34Å; I100-I104 HydrophobicContact CG2-CD1 3.04Å; I100-I104 HydrophobicContact CG2-CG1 3.48Å; I100-I104 VanDerWaalsContact CG2-CG1 3.48Å; I100-I104 WeakPolarHBondContact O-CA 3.32Å; I100-I104 VanDerWaalsContact O-CB 3.23Å; I100-I104 WeakPolarHBondContact O-CB 3.47Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.46Å; I100-I104 PolarHBondContact O-N 3.47Å; I104-R106 PolarHBondContact O-N 3.49Å; I104-A107 PolarHBondContact O-N 3.24Å; I104-M108 HydrophobicContact CG2-CG 3.91Å; I104-M108 VanDerWaalsContact O-CB 3.25Å; I104-M108 WeakPolarHBondContact O-CB 3.31Å; I104-M108 WeakPolarHBondContact O-CG 3.12Å; I104-M108 PolarHBondContact O-N 2.74Å; I104-W120 HydrophobicContact CG2-CH2 4.43Å; I104-W120 HydrophobicContact CG2-CZ3 4.13Å; I104-W125 HydrophobicContact CD1-CH2 3.85Å; I104-W125 HydrophobicContact CD1-CZ2 3.8Å; I104-W125 HydrophobicContact CG2-CH2 4.48Å
105V88.9Confident78.5Confident0 Ų075.5 Ų75.50%038%0.382CS..Hα-helixtrans-62.1-39.3-177.2170.20000109.6I101 E102 T109 W120 A133 V136 A137 M142I101-V105 HydrophobicContact CG2-CG2 4.27Å; I101-V105 WeakPolarHBondContact O-CB 3.37Å; I101-V105 WeakPolarHBondContact O-CG2 3.42Å; I101-V105 PolarHBondContact O-N 2.98Å; E102-V105 PolarHBondContact O-N 3.12Å; V105-T109 WeakPolarHBondContact O-CB 3.31Å; V105-T109 PolarHBondContact O-N 3.45Å; V105-T109 PolarHBondContact O-OG1 2.91Å; V105-W120 HydrophobicContact CB-CZ2 4.45Å; V105-W120 HydrophobicContact CG1-CZ2 4.49Å; V105-W120 HydrophobicContact CG2-CH2 3.76Å; V105-W120 HydrophobicContact CG2-CZ2 3.81Å; V105-A133 HydrophobicContact CG2-CB 4Å; V105-V136 HydrophobicContact CB-CG1 3.81Å; V105-V136 HydrophobicContact CG1-CG1 3.93Å; V105-V136 HydrophobicContact CG2-CB 4.43Å; V105-V136 HydrophobicContact CG2-CG1 4.01Å; V105-A137 HydrophobicContact CG1-CB 3.97Å; V105-M142 HydrophobicContact CG1-CB 3.56Å; V105-M142 HydrophobicContact CG1-CG 4.17Å
106R86.6Confident80.2Confident99 Ų9977.5 Ų77.537%0.37439%0.391SS..Hα-helixtrans-65.2-46.6173.2-73.9176.6-177.6-78-2.5112.5E102 E103 I104 T109 H110 M142E102-R106 HydrophobicContact CG-CG 4.48Å; E102-R106 WeakPolarHBondContact O-CB 3.41Å; E102-R106 VanDerWaalsContact O-CG 3.28Å; E102-R106 WeakPolarHBondContact O-CG 3.29Å; E102-R106 PolarHBondContact O-N 3.27Å; E102-R106 IonicContact OE1-CZ 3.59Å; E102-R106 VanDerWaalsContact OE1-CZ 3.25Å; E102-R106 IonicContact OE1-NE 2.83Å; E102-R106 PolarHBondContact OE1-NE 3.28Å; E102-R106 IonicContact OE1-NH2 3.21Å; E102-R106 PolarHBondContact OE1-NH2 2.95Å; E103-R106 PolarHBondContact O-N 3.28Å; I104-R106 PolarHBondContact O-N 3.49Å; R106-T109 CarbonylContact O-C 3.6Å; R106-T109 PolarHBondContact O-N 2.95Å; R106-H110 WeakPolarHBondContact O-CB 3.38Å; R106-H110 PolarHBondContact O-N 3.21Å; R106-M142 HydrophobicContact CG-CE 3.96Å; R106-M142 HydrophobicContact CG-SD 4.14Å
107A87.1Confident82.6Confident50 Ų5075.2 Ų75.241%0.41338%0.376SS..Hα-helixtrans-65-44.9-179.800000111.3E103 I104 T109 H110 V111E103-A107 WeakPolarHBondContact O-CB 3.33Å; E103-A107 PolarHBondContact O-N 3Å; I104-A107 PolarHBondContact O-N 3.24Å; A107-T109 VanDerWaalsContact C-N 3.34Å; A107-T109 PolarHBondContact O-N 3.37Å; A107-H110 WeakPolarHBondContact O-CB 3.48Å; A107-H110 PolarHBondContact O-N 3.41Å; A107-H110 VanDerWaalsContact O-N 3.16Å; A107-V111 PolarHBondContact O-N 3.03Å
108M93.8Very high84.7Confident53 Ų5373.2 Ų73.226%0.26138%0.377SS..Hα-helixtrans-63-40.7174.4-68.5-63.917500111.3I104 H110 V111 I112 W120I104-M108 HydrophobicContact CG2-CG 3.91Å; I104-M108 VanDerWaalsContact O-CB 3.25Å; I104-M108 WeakPolarHBondContact O-CB 3.31Å; I104-M108 WeakPolarHBondContact O-CG 3.12Å; I104-M108 PolarHBondContact O-N 2.74Å; M108-H110 VanDerWaalsContact C-N 3.35Å; M108-V111 VanDerWaalsContact O-CG2 3.25Å; M108-V111 WeakPolarHBondContact O-CG2 3.38Å; M108-I112 WeakPolarHBondContact O-CD1 3.45Å; M108-I112 VanDerWaalsContact O-CG1 3.25Å; M108-I112 WeakPolarHBondContact O-CG1 3.4Å; M108-I112 PolarHBondContact O-N 3.39Å; M108-I112 VanDerWaalsContact O-N 3.17Å; M108-W120 HydrophobicContact CB-CB 4.05Å; M108-W120 HydrophobicContact CB-CD2 3.69Å; M108-W120 HydrophobicContact CB-CE3 4.13Å; M108-W120 HydrophobicContact CB-CG 3.67Å; M108-W120 HydrophobicContact CG-CB 4.24Å; M108-W120 HydrophobicContact CG-CD2 3.86Å; M108-W120 HydrophobicContact CG-CE3 3.77Å; M108-W120 HydrophobicContact CG-CG 4.1Å; M108-W120 HydrophobicContact CG-CZ3 4.34Å; M108-W120 HydrophobicContact SD-CB 4.05Å
109T91Very high87.5Confident7 Ų769.4 Ų69.44%0.04336%0.358CS..Hα-helixtrans-64.1-40.6172.6-630000111.6V105 R106 A107 I112 N113 M142 I143V105-T109 WeakPolarHBondContact O-CB 3.31Å; V105-T109 PolarHBondContact O-N 3.45Å; V105-T109 PolarHBondContact O-OG1 2.91Å; R106-T109 CarbonylContact O-C 3.6Å; R106-T109 PolarHBondContact O-N 2.95Å; A107-T109 VanDerWaalsContact C-N 3.34Å; A107-T109 PolarHBondContact O-N 3.37Å; T109-I112 PolarHBondContact O-N 3.07Å; T109-N113 WeakPolarHBondContact O-CB 3.35Å; T109-N113 VanDerWaalsContact O-CG 3.24Å; T109-N113 PolarHBondContact O-N 2.95Å; T109-N113 PolarHBondContact O-ND2 3.3Å; T109-M142 HydrophobicContact CG2-CB 4.41Å; T109-M142 HydrophobicContact CG2-SD 3.84Å; T109-M142 WeakPolarHBondContact OG1-CB 3.35Å; T109-I143 HydrophobicContact CG2-CB 4.41Å; T109-I143 HydrophobicContact CG2-CD1 4.03Å; T109-I143 HydrophobicContact CG2-CG1 3.92Å; T109-I143 PolarHBondContact OG1-N 3.01Å
110H89.6Confident89.7Confident107 Ų10763.6 Ų63.650%0.49533%0.331SS..Hα-helixtrans-62.1-51.9178.117680.3000111.5R106 A107 M108 I112 N113 Q114R106-H110 WeakPolarHBondContact O-CB 3.38Å; R106-H110 PolarHBondContact O-N 3.21Å; A107-H110 WeakPolarHBondContact O-CB 3.48Å; A107-H110 PolarHBondContact O-N 3.41Å; A107-H110 VanDerWaalsContact O-N 3.16Å; M108-H110 VanDerWaalsContact C-N 3.35Å; H110-I112 PolarHBondContact O-N 2.94Å; H110-N113 CarbonylContact O-C 3.6Å; H110-N113 PolarHBondContact O-N 3.41Å; H110-N113 VanDerWaalsContact O-N 3.08Å; H110-Q114 WeakPolarHBondContact O-CG 3.37Å; H110-Q114 PolarHBondContact O-N 2.88Å
111V89.6Confident91Very high43 Ų4364 Ų6426%0.26134%0.341SS..Hα-helixtrans-63.5-29.2179.6-600000112.4A107 M108 G115 M116 A117A107-V111 PolarHBondContact O-N 3.03Å; M108-V111 VanDerWaalsContact O-CG2 3.25Å; M108-V111 WeakPolarHBondContact O-CG2 3.38Å; V111-G115 PolarHBondContact O-N 2.92Å; V111-M116 HydrophobicContact CB-CB 4.24Å; V111-M116 HydrophobicContact CB-SD 4.36Å; V111-M116 HydrophobicContact CG1-SD 4.26Å; V111-M116 WeakPolarHBondContact O-CB 2.86Å; V111-M116 PolarHBondContact O-N 2.94Å; V111-A117 HydrophobicContact CG2-CB 4.39Å; V111-A117 PolarHBondContact O-N 2.91Å
112I95.9Very high91.9Very high23 Ų2363.9 Ų63.912%0.11834%0.34CS..Hα-helixtrans-69.2-47.9171.3-68.3167.3000110.9M108 T109 H110 Q114 G115 A117 W120 I143M108-I112 WeakPolarHBondContact O-CD1 3.45Å; M108-I112 VanDerWaalsContact O-CG1 3.25Å; M108-I112 WeakPolarHBondContact O-CG1 3.4Å; M108-I112 PolarHBondContact O-N 3.39Å; M108-I112 VanDerWaalsContact O-N 3.17Å; T109-I112 PolarHBondContact O-N 3.07Å; H110-I112 PolarHBondContact O-N 2.94Å; I112-Q114 PolarHBondContact O-N 3.43Å; I112-G115 WeakPolarHBondContact O-CA 3.4Å; I112-G115 PolarHBondContact O-N 2.77Å; I112-A117 WeakPolarHBondContact CA-O 3.21Å; I112-A117 HydrophobicContact CG1-CB 4.02Å; I112-W120 HydrophobicContact CD1-CB 4.24Å; I112-W120 HydrophobicContact CD1-CG 4.3Å; I112-I143 HydrophobicContact CB-CD1 3.97Å; I112-I143 HydrophobicContact CD1-CD1 4.23Å; I112-I143 HydrophobicContact CD1-CG2 4.05Å; I112-I143 HydrophobicContact CG2-CD1 3.55Å
113N94.4Very high92.9Very high114 Ų11463 Ų6361%0.6134%0.34SS*.Hα-helixtrans-64.1-26.8178.6-71.1-19000112.8T109 H110 G115T109-N113 WeakPolarHBondContact O-CB 3.35Å; T109-N113 VanDerWaalsContact O-CG 3.24Å; T109-N113 PolarHBondContact O-N 2.95Å; T109-N113 PolarHBondContact O-ND2 3.3Å; H110-N113 CarbonylContact O-C 3.6Å; H110-N113 PolarHBondContact O-N 3.41Å; H110-N113 VanDerWaalsContact O-N 3.08Å; N113-G115 VanDerWaalsContact C-N 3.26Å
114Q95Very high93.6Very high124 Ų12465.3 Ų65.358%0.57934%0.344SS*.THydrogen-bonded Turntrans-80.2-2.4171.9-65.5-57.2-51.400113.5H110 I112 M116H110-Q114 WeakPolarHBondContact O-CG 3.37Å; H110-Q114 PolarHBondContact O-N 2.88Å; I112-Q114 PolarHBondContact O-N 3.43Å; Q114-M116 VanDerWaalsContact C-N 3.27Å; Q114-M116 HydrophobicContact CB-CG 4.12Å; Q114-M116 HydrophobicContact CB-SD 4.36Å; Q114-M116 PolarHBondContact O-N 3.3Å
115G94.8Very high94Very high57 Ų5767.3 Ų67.359%0.58835%0.35SS*.THydrogen-bonded Turntrans73.913.3-179.400000114.7V111 I112 N113V111-G115 PolarHBondContact O-N 2.92Å; I112-G115 WeakPolarHBondContact O-CA 3.4Å; I112-G115 PolarHBondContact O-N 2.77Å; N113-G115 VanDerWaalsContact C-N 3.26Å
116M91.4Very high94.4Very high149 Ų14969.4 Ų69.473%0.73437%0.365SS*.SBendtrans-77.8-29.8176.9-57.4175.970.200111.8V111 Q114V111-M116 HydrophobicContact CB-CB 4.24Å; V111-M116 HydrophobicContact CB-SD 4.36Å; V111-M116 HydrophobicContact CG1-SD 4.26Å; V111-M116 WeakPolarHBondContact O-CB 2.86Å; V111-M116 PolarHBondContact O-N 2.94Å; Q114-M116 VanDerWaalsContact C-N 3.27Å; Q114-M116 HydrophobicContact CB-CG 4.12Å; Q114-M116 HydrophobicContact CB-SD 4.36Å; Q114-M116 PolarHBondContact O-N 3.3Å
117A96.9Very high94.8Very high33 Ų3365.9 Ų65.927%0.27336%0.357SS..  trans-133154.4173.600000110.5V111 I112V111-A117 HydrophobicContact CG2-CB 4.39Å; V111-A117 PolarHBondContact O-N 2.91Å; I112-A117 WeakPolarHBondContact CA-O 3.21Å; I112-A117 HydrophobicContact CG1-CB 4.02Å
118M98Very high95.2Very high143 Ų14369.6 Ų69.670%0.70437%0.367SS*.SBendtrans-92.9-33.3174.1-66.2-68.7176.400112
119Y98.4Very high95.3Very high98 Ų9870.2 Ų70.238%0.38437%0.37SS..  trans-149.1164.9-178.1-57.3-84.2000108.8L11 V146L11-Y119 HydrophobicContact CB-CD2 4.37Å; L11-Y119 HydrophobicContact CB-CE2 3.91Å; L11-Y119 HydrophobicContact CD1-CE2 4.29Å; L11-Y119 HydrophobicContact CD2-CD2 4.02Å; L11-Y119 HydrophobicContact CD2-CE2 4.29Å; L11-Y119 HydrophobicContact CG-CE2 4.39Å; Y119-V146 HydrophobicContact CD1-CG1 3.86Å; Y119-V146 HydrophobicContact CD1-CG2 4.33Å; Y119-V146 HydrophobicContact CG-CG2 4.28Å
120W98.1Very high95.6Very high15 Ų1569.9 Ų69.96%0.05737%0.368CS..  trans-131.4163169.176.5-77000111.1I104 V105 M108 I112 T122 A133 I143 P144 P145 V146I104-W120 HydrophobicContact CG2-CH2 4.43Å; I104-W120 HydrophobicContact CG2-CZ3 4.13Å; V105-W120 HydrophobicContact CB-CZ2 4.45Å; V105-W120 HydrophobicContact CG1-CZ2 4.49Å; V105-W120 HydrophobicContact CG2-CH2 3.76Å; V105-W120 HydrophobicContact CG2-CZ2 3.81Å; M108-W120 HydrophobicContact CB-CB 4.05Å; M108-W120 HydrophobicContact CB-CD2 3.69Å; M108-W120 HydrophobicContact CB-CE3 4.13Å; M108-W120 HydrophobicContact CB-CG 3.67Å; M108-W120 HydrophobicContact CG-CB 4.24Å; M108-W120 HydrophobicContact CG-CD2 3.86Å; M108-W120 HydrophobicContact CG-CE3 3.77Å; M108-W120 HydrophobicContact CG-CG 4.1Å; M108-W120 HydrophobicContact CG-CZ3 4.34Å; M108-W120 HydrophobicContact SD-CB 4.05Å; I112-W120 HydrophobicContact CD1-CB 4.24Å; I112-W120 HydrophobicContact CD1-CG 4.3Å; W120-T122 HydrophobicContact CZ3-CG2 4.08Å; W120-A133 HydrophobicContact CH2-CB 3.99Å; W120-I143 PolarHBondContact NE1-O 3.22Å; W120-P144 VanDerWaalsContact NE1-C 3.32Å; W120-P144 PolarHBondContact NE1-O 3.41Å; W120-P145 HydrophobicContact CD2-CB 4Å; W120-P145 HydrophobicContact CE3-CB 4Å; W120-P145 HydrophobicContact CH2-CB 3.89Å; W120-P145 HydrophobicContact CH2-CG 3.94Å; W120-P145 HydrophobicContact CZ2-CB 3.86Å; W120-P145 HydrophobicContact CZ2-CG 3.96Å; W120-P145 HydrophobicContact CZ3-CB 3.94Å; W120-P145 HydrophobicContact CZ3-CG 4.41Å; W120-P145 WeakPolarHBondContact O-CA 3.19Å; W120-V146 PolarHBondContact O-N 3.25Å
121G97.9Very high96Very high31 Ų3167.8 Ų67.832%0.3236%0.359SS..  trans-153.7176.4179.900000111.2C147G121-C147 CarbonylContact C-O 3.49Å; G121-C147 WeakPolarHBondContact CA-O 3.38Å
122T97.8Very high96.2Very high6 Ų668.9 Ų68.94%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-108.4164-179.256.30000110.5W120 W125 I130 P145 C147 E148 Q149W120-T122 HydrophobicContact CZ3-CG2 4.08Å; T122-W125 HydrophobicContact CG2-CB 4.45Å; T122-W125 HydrophobicContact CG2-CD2 3.58Å; T122-W125 HydrophobicContact CG2-CE3 3.62Å; T122-W125 HydrophobicContact CG2-CG 3.96Å; T122-W125 HydrophobicContact CG2-CZ3 4.15Å; T122-I130 HydrophobicContact CG2-CG1 4.4Å; T122-P145 HydrophobicContact CG2-CB 4.26Å; T122-P145 HydrophobicContact CG2-CG 4.48Å; T122-C147 PolarHBondContact N-O 3.24Å; T122-E148 WeakPolarHBondContact CB-OE2 3.34Å; T122-E148 CarbonylContact O-C 3.56Å; T122-E148 WeakPolarHBondContact O-CA 3.33Å; T122-E148 PolarHBondContact OG1-OE2 3.2Å; T122-Q149 PolarHBondContact O-N 2.76Å
123S96.9Very high96.2Very high38 Ų3867.8 Ų67.827%0.26636%0.356SS..EExtended strand (participates in β ladder)trans-149.1123.6175171.80000109.5W125 E148S123-W125 VanDerWaalsContact O-CD1 3.29Å; S123-W125 PolarHBondContact O-N 3.47Å; S123-E148 WeakPolarHBondContact CA-OE2 3.48Å; S123-E148 PolarHBondContact N-OE2 3.31Å
124R95.4Very high96.3Very high166 Ų16664.6 Ų64.663%0.62634%0.335SS*.SBendtrans66.117.9-174.8-53.5-179.5172.9-175.4-3.8114.3E148 Q149 W178R124-E148 PolarHBondContact N-OE1 3.31Å; R124-Q149 PolarHBondContact N-O 2.96Å; R124-W178 HydrophobicContact CG-CZ2 4.19Å
125W96.1Very high96.4Very high57 Ų5761.9 Ų61.922%0.21633%0.33CS..  trans-82.4141.9175.8-73.134.4000110.8I101 I104 T122 S123 E129 I130 A133 E148 K159I101-W125 HydrophobicContact CD1-CZ3 4.48Å; I101-W125 HydrophobicContact CG1-CH2 4.35Å; I101-W125 HydrophobicContact CG1-CZ3 4.35Å; I104-W125 HydrophobicContact CD1-CH2 3.85Å; I104-W125 HydrophobicContact CD1-CZ2 3.8Å; I104-W125 HydrophobicContact CG2-CH2 4.48Å; T122-W125 HydrophobicContact CG2-CB 4.45Å; T122-W125 HydrophobicContact CG2-CD2 3.58Å; T122-W125 HydrophobicContact CG2-CE3 3.62Å; T122-W125 HydrophobicContact CG2-CG 3.96Å; T122-W125 HydrophobicContact CG2-CZ3 4.15Å; S123-W125 VanDerWaalsContact O-CD1 3.29Å; S123-W125 PolarHBondContact O-N 3.47Å; W125-E129 HydrophobicContact CB-CB 4.32Å; W125-E129 HydrophobicContact CD2-CB 4.27Å; W125-E129 HydrophobicContact CE3-CB 3.6Å; W125-E129 HydrophobicContact CZ3-CB 4.23Å; W125-I130 HydrophobicContact CB-CD1 4.28Å; W125-I130 HydrophobicContact CB-CG1 3.81Å; W125-A133 HydrophobicContact CZ3-CB 4.14Å; W125-E148 PolarHBondContact N-OE1 3.06Å; W125-K159 WeakPolarHBondContact O-CE 3.41Å; W125-K159 PolarHBondContact O-NZ 2.72Å
126S96.6Very high96.1Very high44 Ų4460 Ų6031%0.30831%0.307SS..  trans-64.6157.7170.6670000111.1M128 E129 I130S126-M128 PolarHBondContact O-N 3.06Å; S126-E129 VanDerWaalsContact CB-OE2 3.31Å; S126-E129 WeakPolarHBondContact CB-OE2 3.39Å; S126-E129 PolarHBondContact N-OE2 2.88Å; S126-E129 PolarHBondContact O-N 3.31Å; S126-E129 VanDerWaalsContact O-N 3.16Å; S126-E129 VanDerWaalsContact OG-CD 3.25Å; S126-E129 VanDerWaalsContact OG-CG 3.28Å; S126-E129 WeakPolarHBondContact OG-CG 3.41Å; S126-E129 PolarHBondContact OG-N 3.39Å; S126-E129 PolarHBondContact OG-OE2 3.48Å; S126-I130 WeakPolarHBondContact O-CG1 3.47Å; S126-I130 PolarHBondContact O-N 3.36Å; S126-I130 VanDerWaalsContact O-N 3.09Å
127A96.3Very high96.3Very high25 Ų2552.9 Ų52.921%0.20727%0.272CS..Hα-helixtrans-59.2-29.217500000112.9M131 Q163 L167A127-M131 WeakPolarHBondContact O-CB 3.43Å; A127-M131 PolarHBondContact O-N 3.33Å; A127-M131 VanDerWaalsContact O-N 3.11Å; A127-Q163 HydrophobicContact CB-CB 4.21Å; A127-L167 HydrophobicContact CB-CD1 3.98Å; A127-L167 HydrophobicContact CB-CD2 4.3Å; A127-L167 HydrophobicContact CB-CG 4.32Å
128M95.8Very high96.2Very high128 Ų12858.9 Ų58.963%0.63129%0.288SS*.Hα-helixtrans-64.9-51174.3-174.5-157.3-62.500111.2S126 I130 M131 E132S126-M128 PolarHBondContact O-N 3.06Å; M128-I130 VanDerWaalsContact C-N 3.31Å; M128-I130 PolarHBondContact O-N 2.91Å; M128-M131 PolarHBondContact O-N 2.82Å; M128-M131 VanDerWaalsContact O-N 3.14Å; M128-E132 PolarHBondContact O-N 3.44Å
129E95.4Very high95.9Very high66 Ų6658.5 Ų58.531%0.30828%0.284SS..Hα-helixtrans-64.1-36.8-178.7-69158.2143.500111.7W125 S126 M131 E132 A133W125-E129 HydrophobicContact CB-CB 4.32Å; W125-E129 HydrophobicContact CD2-CB 4.27Å; W125-E129 HydrophobicContact CE3-CB 3.6Å; W125-E129 HydrophobicContact CZ3-CB 4.23Å; S126-E129 VanDerWaalsContact CB-OE2 3.31Å; S126-E129 WeakPolarHBondContact CB-OE2 3.39Å; S126-E129 PolarHBondContact N-OE2 2.88Å; S126-E129 PolarHBondContact O-N 3.31Å; S126-E129 VanDerWaalsContact O-N 3.16Å; S126-E129 VanDerWaalsContact OG-CD 3.25Å; S126-E129 VanDerWaalsContact OG-CG 3.28Å; S126-E129 WeakPolarHBondContact OG-CG 3.41Å; S126-E129 PolarHBondContact OG-N 3.39Å; S126-E129 PolarHBondContact OG-OE2 3.48Å; E129-M131 VanDerWaalsContact C-N 3.34Å; E129-E132 PolarHBondContact O-N 2.83Å; E129-A133 PolarHBondContact O-N 2.88Å
130I97.6Very high95.4Very high0 Ų057.1 Ų57.10%028%0.281CS..Hα-helixtrans-63.9-42.1174.8-61.8165.5000110.6T122 W125 S126 M128 A133 Y134 E148 L167 I171 V173T122-I130 HydrophobicContact CG2-CG1 4.4Å; W125-I130 HydrophobicContact CB-CD1 4.28Å; W125-I130 HydrophobicContact CB-CG1 3.81Å; S126-I130 WeakPolarHBondContact O-CG1 3.47Å; S126-I130 PolarHBondContact O-N 3.36Å; S126-I130 VanDerWaalsContact O-N 3.09Å; M128-I130 VanDerWaalsContact C-N 3.31Å; M128-I130 PolarHBondContact O-N 2.91Å; I130-A133 PolarHBondContact O-N 2.86Å; I130-Y134 PolarHBondContact O-N 2.78Å; I130-E148 HydrophobicContact CD1-CB 3.91Å; I130-E148 HydrophobicContact CD1-CG 3.92Å; I130-L167 HydrophobicContact CB-CD1 4.2Å; I130-L167 HydrophobicContact CD1-CD1 3.69Å; I130-L167 HydrophobicContact CG2-CD1 4.13Å; I130-I171 HydrophobicContact CG2-CD1 3.97Å; I130-V173 HydrophobicContact CG2-CG1 4.43Å; I130-V173 HydrophobicContact CG2-CG2 4.02Å
131M97.2Very high95.2Very high64 Ų6463.9 Ų63.932%0.31532%0.318SS..Hα-helixtrans-68.1-35.7176.1-170.96162.700112A127 M128 E129 Y134 S135 L167 K170 I171A127-M131 WeakPolarHBondContact O-CB 3.43Å; A127-M131 PolarHBondContact O-N 3.33Å; A127-M131 VanDerWaalsContact O-N 3.11Å; M128-M131 PolarHBondContact O-N 2.82Å; M128-M131 VanDerWaalsContact O-N 3.14Å; E129-M131 VanDerWaalsContact C-N 3.34Å; M131-Y134 PolarHBondContact O-N 3.34Å; M131-Y134 HydrophobicContact SD-CD1 4.26Å; M131-S135 WeakPolarHBondContact O-CB 3.43Å; M131-S135 PolarHBondContact O-N 2.79Å; M131-L167 HydrophobicContact CE-CD2 3.9Å; M131-K170 HydrophobicContact CE-CB 4.36Å; M131-K170 HydrophobicContact CE-CD 4.33Å; M131-I171 HydrophobicContact CE-CD1 4.14Å; M131-I171 HydrophobicContact CE-CG1 4.34Å; M131-I171 HydrophobicContact CE-CG2 3.76Å; M131-I171 HydrophobicContact SD-CG2 3.82Å
132E94.9Very high95.1Very high65 Ų6564.3 Ų64.330%0.30431%0.312SS..Hα-helixtrans-63-45.9174.5-170.8174.6-176.900110.9I101 M128 E129 Y134 S135 V136I101-E132 HydrophobicContact CD1-CB 4.13Å; I101-E132 HydrophobicContact CD1-CG 3.83Å; I101-E132 WeakPolarHBondContact CD1-OE2 3.33Å; I101-E132 HydrophobicContact CG2-CG 4.13Å; M128-E132 PolarHBondContact O-N 3.44Å; E129-E132 PolarHBondContact O-N 2.83Å; E132-Y134 VanDerWaalsContact C-N 3.31Å; E132-Y134 PolarHBondContact O-N 2.87Å; E132-S135 WeakPolarHBondContact O-CB 3.17Å; E132-S135 PolarHBondContact O-N 2.98Å; E132-S135 VanDerWaalsContact O-N 3.14Å; E132-V136 WeakPolarHBondContact O-CG2 3.49Å; E132-V136 PolarHBondContact O-N 2.9Å
133A95Very high95.1Very high0 Ų066.5 Ų66.50%032%0.323CS..Hα-helixtrans-58.8-42173.200000112.4I101 V105 W120 W125 E129 I130 A137 P145I101-A133 HydrophobicContact CG2-CB 3.98Å; V105-A133 HydrophobicContact CG2-CB 4Å; W120-A133 HydrophobicContact CH2-CB 3.99Å; W125-A133 HydrophobicContact CZ3-CB 4.14Å; E129-A133 PolarHBondContact O-N 2.88Å; I130-A133 PolarHBondContact O-N 2.86Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.4Å; A133-P145 HydrophobicContact CB-CG 4.37Å
134Y97.4Very high95.1Very high47 Ų4766.2 Ų66.218%0.18432%0.32CS..Hα-helixtrans-63.7-43.4174.3-178-93.3000112.1I130 M131 E132 A137 R138 P144 I171I130-Y134 PolarHBondContact O-N 2.78Å; M131-Y134 PolarHBondContact O-N 3.34Å; M131-Y134 HydrophobicContact SD-CD1 4.26Å; E132-Y134 VanDerWaalsContact C-N 3.31Å; E132-Y134 PolarHBondContact O-N 2.87Å; Y134-A137 PolarHBondContact O-N 2.97Å; Y134-R138 HydrophobicContact CD1-CG 4.08Å; Y134-R138 HydrophobicContact CE1-CG 3.65Å; Y134-R138 HydrophobicContact CE2-CG 4.41Å; Y134-R138 WeakPolarHBondContact O-CG 3.38Å; Y134-R138 PolarHBondContact O-N 2.63Å; Y134-R138 PolarHBondContact OH-NE 3.24Å; Y134-R138 PolarHBondContact OH-NH2 3.33Å; Y134-P144 HydrophobicContact CD2-CB 3.79Å; Y134-P144 HydrophobicContact CE2-CB 4.29Å; Y134-I171 HydrophobicContact CD1-CB 4.28Å; Y134-I171 HydrophobicContact CD1-CG2 3.47Å; Y134-I171 VanDerWaalsContact CD1-CG2 3.47Å; Y134-I171 HydrophobicContact CD2-CB 3.68Å; Y134-I171 HydrophobicContact CD2-CD1 4.23Å; Y134-I171 HydrophobicContact CD2-CG2 3.83Å; Y134-I171 HydrophobicContact CE1-CB 4.3Å; Y134-I171 HydrophobicContact CE1-CG2 3.48Å; Y134-I171 VanDerWaalsContact CE1-CG2 3.48Å; Y134-I171 HydrophobicContact CE2-CB 3.7Å; Y134-I171 HydrophobicContact CE2-CG2 3.83Å; Y134-I171 HydrophobicContact CG-CB 3.96Å; Y134-I171 HydrophobicContact CG-CD1 4.13Å; Y134-I171 HydrophobicContact CG-CG2 3.64Å
135S95.7Very high95.2Very high67 Ų6758.5 Ų58.547%0.46929%0.292SS..Hα-helixtrans-60.2-48.3178.5-174.30000111.4M131 E132 A137 R138 Q139M131-S135 WeakPolarHBondContact O-CB 3.43Å; M131-S135 PolarHBondContact O-N 2.79Å; E132-S135 WeakPolarHBondContact O-CB 3.17Å; E132-S135 PolarHBondContact O-N 2.98Å; E132-S135 VanDerWaalsContact O-N 3.14Å; S135-A137 VanDerWaalsContact C-N 3.31Å; S135-A137 PolarHBondContact O-N 3.08Å; S135-R138 PolarHBondContact O-N 3.42Å; S135-Q139 WeakPolarHBondContact O-CB 3.48Å; S135-Q139 PolarHBondContact O-N 3.19Å
136V89.8Confident95.3Very high17 Ų1756.9 Ų56.910%0.10329%0.288CS..Hα-helixtrans-57.1-46.3173.9164.30000110.7I101 E102 V105 E132 R138 Q139 F140I101-V136 HydrophobicContact CG2-CG2 4.08Å; E102-V136 HydrophobicContact CB-CG1 4.18Å; E102-V136 HydrophobicContact CG-CG1 4.21Å; V105-V136 HydrophobicContact CB-CG1 3.81Å; V105-V136 HydrophobicContact CG1-CG1 3.93Å; V105-V136 HydrophobicContact CG2-CB 4.43Å; V105-V136 HydrophobicContact CG2-CG1 4.01Å; E132-V136 WeakPolarHBondContact O-CG2 3.49Å; E132-V136 PolarHBondContact O-N 2.9Å; V136-R138 VanDerWaalsContact C-N 3.3Å; V136-R138 PolarHBondContact O-N 3.15Å; V136-Q139 PolarHBondContact O-N 3.3Å; V136-F140 HydrophobicContact CG1-CD2 4.05Å; V136-F140 WeakPolarHBondContact O-CD2 3.22Å; V136-F140 PolarHBondContact O-N 2.93Å
137A94.3Very high95.4Very high1 Ų155.4 Ų55.41%0.00828%0.278CS..Hα-helixtrans-60.8-40.9-179.700000112.5V105 A133 Y134 S135 N141 M142 P144V105-A137 HydrophobicContact CG1-CB 3.97Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.4Å; Y134-A137 PolarHBondContact O-N 2.97Å; S135-A137 VanDerWaalsContact C-N 3.31Å; S135-A137 PolarHBondContact O-N 3.08Å; A137-N141 CarbonylContact O-C 3.58Å; A137-N141 WeakPolarHBondContact O-CA 3.49Å; A137-N141 PolarHBondContact O-N 2.86Å; A137-N141 VanDerWaalsContact O-N 3.11Å; A137-M142 HydrophobicContact CB-CB 4.36Å; A137-M142 PolarHBondContact O-N 3.09Å; A137-P144 HydrophobicContact CB-CB 3.9Å
138R95.5Very high95.5Very high158 Ų15854.2 Ų54.260%0.59627%0.268SS*.Hα-helixtrans-69.6-41175.3-66.2-54-174.2-174.60.2113.1Y134 S135 V136 F140Y134-R138 HydrophobicContact CD1-CG 4.08Å; Y134-R138 HydrophobicContact CE1-CG 3.65Å; Y134-R138 HydrophobicContact CE2-CG 4.41Å; Y134-R138 WeakPolarHBondContact O-CG 3.38Å; Y134-R138 PolarHBondContact O-N 2.63Å; Y134-R138 PolarHBondContact OH-NE 3.24Å; Y134-R138 PolarHBondContact OH-NH2 3.33Å; S135-R138 PolarHBondContact O-N 3.42Å; V136-R138 VanDerWaalsContact C-N 3.3Å; V136-R138 PolarHBondContact O-N 3.15Å; R138-F140 VanDerWaalsContact C-N 3.35Å; R138-F140 PolarHBondContact O-N 3.32Å
139Q91.6Very high95.7Very high136 Ų13648.8 Ų48.864%0.63624%0.241SC*.Hα-helixtrans-64.3-39.3-178.9-177.7175.8-3.700112.4S135 V136S135-Q139 WeakPolarHBondContact O-CB 3.48Å; S135-Q139 PolarHBondContact O-N 3.19Å; V136-Q139 PolarHBondContact O-N 3.3Å
140F88Confident95.8Very high69 Ų6945.7 Ų45.730%0.30323%0.226SC..THydrogen-bonded Turntrans-109.113.5-173.5-60.7-67.3000114.3E102 V136 R138 M142E102-F140 HydrophobicContact CG-CD2 4.31Å; E102-F140 HydrophobicContact CG-CE2 4.17Å; V136-F140 HydrophobicContact CG1-CD2 4.05Å; V136-F140 WeakPolarHBondContact O-CD2 3.22Å; V136-F140 PolarHBondContact O-N 2.93Å; R138-F140 VanDerWaalsContact C-N 3.35Å; R138-F140 PolarHBondContact O-N 3.32Å; F140-M142 VanDerWaalsContact C-N 3.27Å; F140-M142 HydrophobicContact CB-CE 4.18Å; F140-M142 HydrophobicContact CB-CG 3.96Å; F140-M142 WeakPolarHBondContact O-CE 3.24Å; F140-M142 PolarHBondContact O-N 3.48Å
141N94.1Very high95.9Very high156 Ų15647.8 Ų47.883%0.83424%0.236SC*.THydrogen-bonded Turntrans52.244.4-176.8-166.941.6000113.3A137A137-N141 CarbonylContact O-C 3.58Å; A137-N141 WeakPolarHBondContact O-CA 3.49Å; A137-N141 PolarHBondContact O-N 2.86Å; A137-N141 VanDerWaalsContact O-N 3.11Å
142M95.1Very high95.9Very high41 Ų4144.8 Ų44.820%0.20222%0.221CC..PPolyproline II helixtrans-100.4171.5176.3-56.5-71.8163.500110.6V105 R106 T109 A137 F140 P144V105-M142 HydrophobicContact CG1-CB 3.56Å; V105-M142 HydrophobicContact CG1-CG 4.17Å; R106-M142 HydrophobicContact CG-CE 3.96Å; R106-M142 HydrophobicContact CG-SD 4.14Å; T109-M142 HydrophobicContact CG2-CB 4.41Å; T109-M142 HydrophobicContact CG2-SD 3.84Å; T109-M142 WeakPolarHBondContact OG1-CB 3.35Å; A137-M142 HydrophobicContact CB-CB 4.36Å; A137-M142 PolarHBondContact O-N 3.09Å; F140-M142 VanDerWaalsContact C-N 3.27Å; F140-M142 HydrophobicContact CB-CE 4.18Å; F140-M142 HydrophobicContact CB-CG 3.96Å; F140-M142 WeakPolarHBondContact O-CE 3.24Å; F140-M142 PolarHBondContact O-N 3.48Å; M142-P144 WeakPolarHBondContact O-CD 3.3Å
143I97.6Very high96.1Very high51 Ų5141.8 Ų41.826%0.26221%0.207SC..PPolyproline II helixtrans-83.6123.1-178.3-59.4172.7000108.9T109 I112 W120T109-I143 HydrophobicContact CG2-CB 4.41Å; T109-I143 HydrophobicContact CG2-CD1 4.03Å; T109-I143 HydrophobicContact CG2-CG1 3.92Å; T109-I143 PolarHBondContact OG1-N 3.01Å; I112-I143 HydrophobicContact CB-CD1 3.97Å; I112-I143 HydrophobicContact CD1-CD1 4.23Å; I112-I143 HydrophobicContact CD1-CG2 4.05Å; I112-I143 HydrophobicContact CG2-CD1 3.55Å; W120-I143 PolarHBondContact NE1-O 3.22Å
144P98.1Very high96.2Very high32 Ų3241.9 Ų41.921%0.20821%0.208CC..PPolyproline II helixtrans-78.1160.6177.631.4-34.8000112.6W120 Y134 A137 M142W120-P144 VanDerWaalsContact NE1-C 3.32Å; W120-P144 PolarHBondContact NE1-O 3.41Å; Y134-P144 HydrophobicContact CD2-CB 3.79Å; Y134-P144 HydrophobicContact CE2-CB 4.29Å; A137-P144 HydrophobicContact CB-CB 3.9Å; M142-P144 WeakPolarHBondContact O-CD 3.3Å
145P98.1Very high96.3Very high5 Ų540.7 Ų40.73%0.03220%0.204CC..PPolyproline II helixtrans-69.6144.2175.729.4-31.5000110.6W120 T122 A133 V173W120-P145 HydrophobicContact CD2-CB 4Å; W120-P145 HydrophobicContact CE3-CB 4Å; W120-P145 HydrophobicContact CH2-CB 3.89Å; W120-P145 HydrophobicContact CH2-CG 3.94Å; W120-P145 HydrophobicContact CZ2-CB 3.86Å; W120-P145 HydrophobicContact CZ2-CG 3.96Å; W120-P145 HydrophobicContact CZ3-CB 3.94Å; W120-P145 HydrophobicContact CZ3-CG 4.41Å; W120-P145 WeakPolarHBondContact O-CA 3.19Å; T122-P145 HydrophobicContact CG2-CB 4.26Å; T122-P145 HydrophobicContact CG2-CG 4.48Å; A133-P145 HydrophobicContact CB-CG 4.37Å; P145-V173 WeakPolarHBondContact O-CG2 3.42Å
146V98.2Very high96.4Very high23 Ų2341.2 Ų41.214%0.13920%0.199CC..  trans-101-17.5-178.5-57.10000114L6 Y119 W120 G174L6-V146 HydrophobicContact CD2-CG2 4.42Å; Y119-V146 HydrophobicContact CD1-CG1 3.86Å; Y119-V146 HydrophobicContact CD1-CG2 4.33Å; Y119-V146 HydrophobicContact CG-CG2 4.28Å; W120-V146 PolarHBondContact O-N 3.25Å; V146-G174 PolarHBondContact O-N 3.41Å
147C98.3Very high96.8Very high13 Ų1340.8 Ų40.89%0.08820%0.195CC..EExtended strand (participates in β ladder)trans-147.8154.7-178.867.80000113L6 G121 T122 G174L6-C147 HydrophobicContact CD1-CB 3.78Å; L6-C147 HydrophobicContact CD2-CB 3.87Å; L6-C147 HydrophobicContact CG-CB 3.81Å; G121-C147 CarbonylContact C-O 3.49Å; G121-C147 WeakPolarHBondContact CA-O 3.38Å; T122-C147 PolarHBondContact N-O 3.24Å; C147-G174 CarbonylContact C-O 3.55Å; C147-G174 VanDerWaalsContact CA-O 3.25Å; C147-G174 WeakPolarHBondContact CA-O 3.1Å
148E98.6Very high96.9Very high0 Ų045.2 Ų45.20%022%0.216CC..EExtended strand (participates in β ladder)trans-112.9128.5163.8164.559.3-16400109.4T122 S123 R124 W125 I130 A150 K159 L164 V173 G174 M176T122-E148 WeakPolarHBondContact CB-OE2 3.34Å; T122-E148 CarbonylContact O-C 3.56Å; T122-E148 WeakPolarHBondContact O-CA 3.33Å; T122-E148 PolarHBondContact OG1-OE2 3.2Å; S123-E148 WeakPolarHBondContact CA-OE2 3.48Å; S123-E148 PolarHBondContact N-OE2 3.31Å; R124-E148 PolarHBondContact N-OE1 3.31Å; W125-E148 PolarHBondContact N-OE1 3.06Å; I130-E148 HydrophobicContact CD1-CB 3.91Å; I130-E148 HydrophobicContact CD1-CG 3.92Å; E148-A150 HydrophobicContact CG-CB 4.13Å; E148-K159 IonicContact OE1-NZ 2.86Å; E148-K159 PolarHBondContact OE1-NZ 2.91Å; E148-L164 HydrophobicContact CB-CD2 4.22Å; E148-L164 HydrophobicContact CG-CD1 4.36Å; E148-L164 HydrophobicContact CG-CD2 3.96Å; E148-V173 HydrophobicContact CB-CG1 4.19Å; E148-G174 PolarHBondContact N-O 3.28Å; E148-M176 PolarHBondContact O-N 3.37Å
149Q98.7Very high96.9Very high13 Ų1339.2 Ų39.26%0.06119%0.194CC..EExtended strand (participates in β ladder)trans-87.4102.7169.5-79-16531.600111.5D49 T122 R124 M176 W178D49-Q149 PolarHBondContact OD1-NE2 2.59Å; T122-Q149 PolarHBondContact O-N 2.76Å; R124-Q149 PolarHBondContact N-O 2.96Å; Q149-M176 CarbonylContact C-O 3.59Å; Q149-M176 WeakPolarHBondContact CA-O 3.34Å; Q149-M176 HydrophobicContact CG-CB 4.05Å; Q149-M176 HydrophobicContact CG-CG 4.13Å; Q149-M176 HydrophobicContact CG-SD 3.87Å; Q149-W178 PolarHBondContact O-NE1 2.58Å; Q149-W178 VanDerWaalsContact O-NE1 3.1Å
150A98.4Very high97.2Very high1 Ų132.9 Ų32.91%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-120.5147.8-172.700000114.1E148 Y152 K159 V160 L164 M176 T177 W178E148-A150 HydrophobicContact CG-CB 4.13Å; A150-Y152 PolarHBondContact O-N 2.99Å; A150-K159 HydrophobicContact CB-CD 4.07Å; A150-V160 HydrophobicContact CB-CG2 3.75Å; A150-L164 HydrophobicContact CB-CD1 4Å; A150-M176 PolarHBondContact N-O 3.32Å; A150-M176 VanDerWaalsContact N-O 3.13Å; A150-T177 CarbonylContact O-C 3.4Å; A150-T177 WeakPolarHBondContact O-CA 3.38Å; A150-W178 VanDerWaalsContact C-CD1 3.4Å; A150-W178 PolarHBondContact O-N 3.39Å
151E98.6Very high97.7Very high45 Ų4531.5 Ų31.521%0.2116%0.159CC..EExtended strand (participates in β ladder)trans-64.9129.7171.8-162.5163.6-16100109.5H153 Q156 W178E151-H153 IonicContact OE1-CD2 3.25Å; E151-H153 IonicContact OE1-NE2 3.01Å; E151-H153 PolarHBondContact OE1-NE2 3.28Å; E151-Q156 HydrophobicContact CB-CG 3.95Å; E151-Q156 HydrophobicContact CG-CB 4.28Å; E151-Q156 HydrophobicContact CG-CG 3.9Å; E151-W178 HydrophobicContact CB-CD2 4.13Å; E151-W178 HydrophobicContact CB-CE3 4.04Å; E151-W178 HydrophobicContact CB-CH2 3.39Å; E151-W178 HydrophobicContact CB-CZ2 3.51Å; E151-W178 HydrophobicContact CB-CZ3 3.67Å; E151-W178 VanDerWaalsContact CD-CH2 3.45Å; E151-W178 HydrophobicContact CG-CD2 4.45Å; E151-W178 HydrophobicContact CG-CE3 3.88Å; E151-W178 HydrophobicContact CG-CH2 3.61Å; E151-W178 HydrophobicContact CG-CZ2 4.23Å; E151-W178 HydrophobicContact CG-CZ3 3.4Å; E151-W178 VanDerWaalsContact CG-CZ3 3.4Å; E151-W178 VanDerWaalsContact N-CE2 3.26Å; E151-W178 WeakPolarHBondContact OE2-CH2 3.33Å
152Y98.7Very high97.7Very high0 Ų026.1 Ų26.10%013%0.132CC..  trans-149.2122.5174-170.2-133.5000111.3A150 Q156 R157 V160 E161 T177 W178 P180 W245 C246 R248 V252A150-Y152 PolarHBondContact O-N 2.99Å; Y152-Q156 WeakPolarHBondContact CA-O 3.44Å; Y152-Q156 WeakPolarHBondContact CD2-O 3.41Å; Y152-R157 HydrophobicContact CE2-CB 4.36Å; Y152-R157 HydrophobicContact CE2-CG 4.46Å; Y152-V160 HydrophobicContact CD1-CG1 3.97Å; Y152-V160 HydrophobicContact CD2-CB 3.64Å; Y152-V160 HydrophobicContact CD2-CG1 3.92Å; Y152-V160 HydrophobicContact CD2-CG2 4.11Å; Y152-V160 HydrophobicContact CE1-CG1 4.24Å; Y152-V160 HydrophobicContact CE2-CB 4.13Å; Y152-V160 HydrophobicContact CE2-CG1 4.23Å; Y152-V160 HydrophobicContact CG-CB 3.91Å; Y152-V160 HydrophobicContact CG-CG1 3.81Å; Y152-V160 HydrophobicContact CG-CG2 4.1Å; Y152-E161 HydrophobicContact CE2-CG 3.76Å; Y152-E161 WeakPolarHBondContact CE2-OE1 3.35Å; Y152-E161 WeakPolarHBondContact OH-CG 3.3Å; Y152-E161 PolarHBondContact OH-OE1 3.23Å; Y152-T177 VanDerWaalsContact CB-CG2 3.49Å; Y152-T177 HydrophobicContact CD1-CG2 4.03Å; Y152-T177 HydrophobicContact CG-CG2 4.12Å; Y152-W178 PolarHBondContact N-O 2.81Å; Y152-P180 WeakPolarHBondContact O-CA 3.47Å; Y152-W245 HydrophobicContact CD2-CZ3 4.44Å; Y152-W245 AromaticContact CE1-CZ3 3.9Å; Y152-W245 HydrophobicContact CE1-CZ3 3.9Å; Y152-W245 AromaticContact CE2-CH2 3.77Å; Y152-W245 HydrophobicContact CE2-CH2 3.77Å; Y152-W245 AromaticContact CE2-CZ3 3.72Å; Y152-W245 HydrophobicContact CE2-CZ3 3.72Å; Y152-W245 AromaticContact CZ-CH2 3.65Å; Y152-W245 AromaticContact CZ-CZ3 3.41Å; Y152-W245 VanDerWaalsContact CZ-CZ3 3.41Å; Y152-W245 VanDerWaalsContact OH-CH2 3.3Å; Y152-W245 WeakPolarHBondContact OH-CH2 3.15Å; Y152-W245 WeakPolarHBondContact OH-CZ3 3.46Å; Y152-C246 HydrophobicContact CD1-CB 3.96Å; Y152-C246 HydrophobicContact CE1-CB 4.08Å; Y152-R248 PolarHBondContact OH-NH1 3.26Å; Y152-V252 HydrophobicContact CD1-CG2 4.16Å; Y152-V252 HydrophobicContact CE1-CG2 4.16Å
153H98.4Very high97.8Very high2 Ų226.8 Ų26.81%0.00913%0.134CC..BIsolated β-bridgetrans-164.9177.4175.854.564.4000109.6E151 F155 Q156 S179 P180 I186E151-H153 IonicContact OE1-CD2 3.25Å; E151-H153 IonicContact OE1-NE2 3.01Å; E151-H153 PolarHBondContact OE1-NE2 3.28Å; H153-F155 PolarHBondContact ND1-N 3.03Å; H153-F155 VanDerWaalsContact ND1-N 3.18Å; H153-F155 PolarHBondContact O-N 3.11Å; H153-Q156 WeakPolarHBondContact CE1-CB 3.41Å; H153-Q156 PolarHBondContact CE1-N 3.01Å; H153-Q156 PolarHBondContact N-O 3.22Å; H153-Q156 VanDerWaalsContact N-O 3.13Å; H153-Q156 PolarHBondContact ND1-N 3.15Å; H153-Q156 VanDerWaalsContact ND1-N 3.15Å; H153-Q156 CarbonylContact O-C 3.57Å; H153-Q156 PolarHBondContact O-N 3.39Å; H153-S179 PolarHBondContact CD2-O 2.93Å; H153-P180 VanDerWaalsContact CB-O 3.3Å; H153-P180 WeakPolarHBondContact CB-O 3.48Å; H153-I186 HydrophobicContact CB-CD1 3.73Å
154L97.9Very high97.8Very high2 Ų224.8 Ų24.81%0.0112%0.124CC..THydrogen-bonded Turntrans-50.9-34.6-176.5-61.9170.9000113.6R157 I186 L227 A242 W245 I288 L292 N294L154-R157 WeakPolarHBondContact O-CD 3.41Å; L154-I186 HydrophobicContact CB-CD1 4.26Å; L154-I186 HydrophobicContact CD1-CD1 4.41Å; L154-I186 HydrophobicContact CD1-CG2 3.88Å; L154-I186 HydrophobicContact CG-CD1 4.41Å; L154-L227 HydrophobicContact CD1-CD1 3.82Å; L154-A242 HydrophobicContact CD1-CB 4.09Å; L154-A242 HydrophobicContact CG-CB 4.47Å; L154-W245 HydrophobicContact CD2-CB 4.27Å; L154-W245 HydrophobicContact CD2-CD2 3.4Å; L154-W245 VanDerWaalsContact CD2-CD2 3.4Å; L154-W245 HydrophobicContact CD2-CE3 3.73Å; L154-W245 HydrophobicContact CD2-CG 3.67Å; L154-W245 HydrophobicContact CD2-CZ2 4.25Å; L154-W245 HydrophobicContact CD2-CZ3 4.32Å; L154-W245 HydrophobicContact CG-CE3 4.46Å; L154-I288 HydrophobicContact CD2-CG2 4.11Å; L154-L292 HydrophobicContact CB-CD1 3.89Å; L154-L292 HydrophobicContact CB-CD2 4.06Å; L154-L292 HydrophobicContact CD2-CD1 3.85Å; L154-L292 HydrophobicContact CG-CD1 4.43Å; L154-N294 PolarHBondContact O-ND2 2.65Å
155F97.9Very high97.7Very high23 Ų2325.1 Ų25.110%0.10113%0.127CC..THydrogen-bonded Turntrans-97.92.5179.4-49.8-60.7000116.2H153 I186 Q220 K223 L224 L292H153-F155 PolarHBondContact ND1-N 3.03Å; H153-F155 VanDerWaalsContact ND1-N 3.18Å; H153-F155 PolarHBondContact O-N 3.11Å; F155-I186 HydrophobicContact CD2-CD1 4.23Å; F155-I186 HydrophobicContact CD2-CG1 4.06Å; F155-I186 HydrophobicContact CE2-CD1 4.37Å; F155-I186 HydrophobicContact CE2-CG1 3.77Å; F155-Q220 HydrophobicContact CD1-CB 4.46Å; F155-Q220 HydrophobicContact CD1-CG 3.81Å; F155-Q220 HydrophobicContact CD2-CB 4.25Å; F155-Q220 HydrophobicContact CD2-CG 4.01Å; F155-Q220 HydrophobicContact CE1-CB 4.09Å; F155-Q220 HydrophobicContact CE1-CG 3.89Å; F155-Q220 HydrophobicContact CE2-CB 3.85Å; F155-Q220 HydrophobicContact CE2-CG 4.08Å; F155-Q220 HydrophobicContact CG-CG 3.87Å; F155-Q220 HydrophobicContact CZ-CB 3.76Å; F155-Q220 HydrophobicContact CZ-CG 4.03Å; F155-K223 HydrophobicContact CE1-CB 4.28Å; F155-K223 HydrophobicContact CE1-CD 4.12Å; F155-L224 HydrophobicContact CE2-CD2 3.99Å; F155-L224 HydrophobicContact CE2-CG 4.28Å; F155-L224 HydrophobicContact CZ-CD2 3.86Å; F155-L224 HydrophobicContact CZ-CG 4.03Å; F155-L292 HydrophobicContact CD1-CD2 4.09Å; F155-L292 HydrophobicContact CE1-CD2 3.59Å; F155-L292 HydrophobicContact CZ-CD2 4.36Å
156Q98Very high97.6Very high77 Ų7729.8 Ų29.836%0.3615%0.148SC..BIsolated β-bridgetrans-143.9101.8-179.9-177.86325.400108.8E151 Y152 H153E151-Q156 HydrophobicContact CB-CG 3.95Å; E151-Q156 HydrophobicContact CG-CB 4.28Å; E151-Q156 HydrophobicContact CG-CG 3.9Å; Y152-Q156 WeakPolarHBondContact CA-O 3.44Å; Y152-Q156 WeakPolarHBondContact CD2-O 3.41Å; H153-Q156 WeakPolarHBondContact CE1-CB 3.41Å; H153-Q156 PolarHBondContact CE1-N 3.01Å; H153-Q156 PolarHBondContact N-O 3.22Å; H153-Q156 VanDerWaalsContact N-O 3.13Å; H153-Q156 PolarHBondContact ND1-N 3.15Å; H153-Q156 VanDerWaalsContact ND1-N 3.15Å; H153-Q156 CarbonylContact O-C 3.57Å; H153-Q156 PolarHBondContact O-N 3.39Å
157R97.9Very high97.6Very high9 Ų929 Ų293%0.03414%0.143CC..  trans-128.2-37.3-162.9-56.217957.9176-0.6114.7Y152 L154 K159 V160 E161 W245 D289 N294 P296Y152-R157 HydrophobicContact CE2-CB 4.36Å; Y152-R157 HydrophobicContact CE2-CG 4.46Å; L154-R157 WeakPolarHBondContact O-CD 3.41Å; R157-K159 PolarHBondContact O-N 2.83Å; R157-V160 PolarHBondContact O-N 3.31Å; R157-E161 HydrophobicContact CB-CG 4.48Å; R157-E161 IonicContact CZ-OE1 3.25Å; R157-E161 IonicContact CZ-OE2 3.88Å; R157-E161 IonicContact NE-OE1 3.85Å; R157-E161 PolarHBondContact NE-OE1 3.4Å; R157-E161 IonicContact NE-OE2 2.64Å; R157-E161 PolarHBondContact NE-OE2 3.5Å; R157-E161 IonicContact NH2-OE1 3.22Å; R157-E161 PolarHBondContact NH2-OE1 3.34Å; R157-E161 IonicContact NH2-OE2 2.69Å; R157-E161 PolarHBondContact NH2-OE2 3.4Å; R157-E161 WeakPolarHBondContact O-CB 3.25Å; R157-E161 PolarHBondContact O-N 3.41Å; R157-W245 HydrophobicContact CG-CH2 3.88Å; R157-D289 IonicContact CZ-OD1 3.15Å; R157-D289 IonicContact NH1-OD1 3.4Å; R157-D289 PolarHBondContact NH1-OD1 2.81Å; R157-D289 IonicContact NH2-OD1 3.61Å; R157-D289 PolarHBondContact NH2-OD1 2.81Å; R157-N294 VanDerWaalsContact CD-OD1 3.23Å; R157-N294 WeakPolarHBondContact CD-OD1 3.45Å; R157-N294 PolarHBondContact NH1-OD1 2.86Å; R157-P296 HydrophobicContact CB-CG 4.18Å
158E96.3Very high97.6Very high94 Ų9432.3 Ų32.344%0.43915%0.154SC..Hα-helixtrans-53.9-55-163.5-177.9-8914300113.2V160 E161 V162 Q163 P296E158-V160 PolarHBondContact O-N 2.89Å; E158-E161 PolarHBondContact O-N 3.26Å; E158-V162 VanDerWaalsContact O-CB 3.27Å; E158-V162 WeakPolarHBondContact O-CB 3.09Å; E158-V162 WeakPolarHBondContact O-CG2 3.49Å; E158-V162 PolarHBondContact O-N 3.36Å; E158-Q163 PolarHBondContact OE1-NE2 3.47Å; E158-Q163 PolarHBondContact OE2-NE2 3.02Å; E158-P296 HydrophobicContact CB-CB 4.29Å
159K97.2Very high97.5Very high31 Ų3138.3 Ų38.314%0.13518%0.182CC..Iπ-helixtrans-54.1-49.3178.4-173.5178.6-176.5-179.20113.3W125 E148 A150 R157 Q163 L164W125-K159 WeakPolarHBondContact O-CE 3.41Å; W125-K159 PolarHBondContact O-NZ 2.72Å; E148-K159 IonicContact OE1-NZ 2.86Å; E148-K159 PolarHBondContact OE1-NZ 2.91Å; A150-K159 HydrophobicContact CB-CD 4.07Å; R157-K159 PolarHBondContact O-N 2.83Å; K159-Q163 WeakPolarHBondContact O-CA 3.27Å; K159-Q163 WeakPolarHBondContact O-CB 3.5Å; K159-Q163 PolarHBondContact O-N 2.88Å; K159-L164 HydrophobicContact CG-CD2 4.41Å; K159-L164 HydrophobicContact CG-CG 4.37Å; K159-L164 WeakPolarHBondContact O-CG 3.45Å; K159-L164 PolarHBondContact O-N 3.22Å
160V97.8Very high97.4Very high3 Ų344.1 Ų44.12%0.01821%0.207CC..Iπ-helixtrans-79.2-33-172.51790000112.7A150 Y152 R157 E158 L164 P165 T177 V252A150-V160 HydrophobicContact CB-CG2 3.75Å; Y152-V160 HydrophobicContact CD1-CG1 3.97Å; Y152-V160 HydrophobicContact CD2-CB 3.64Å; Y152-V160 HydrophobicContact CD2-CG1 3.92Å; Y152-V160 HydrophobicContact CD2-CG2 4.11Å; Y152-V160 HydrophobicContact CE1-CG1 4.24Å; Y152-V160 HydrophobicContact CE2-CB 4.13Å; Y152-V160 HydrophobicContact CE2-CG1 4.23Å; Y152-V160 HydrophobicContact CG-CB 3.91Å; Y152-V160 HydrophobicContact CG-CG1 3.81Å; Y152-V160 HydrophobicContact CG-CG2 4.1Å; R157-V160 PolarHBondContact O-N 3.31Å; E158-V160 PolarHBondContact O-N 2.89Å; V160-L164 HydrophobicContact CB-CD1 4.33Å; V160-L164 HydrophobicContact CG1-CD1 4.43Å; V160-L164 HydrophobicContact CG2-CD1 3.84Å; V160-P165 WeakPolarHBondContact O-CD 3.42Å; V160-T177 HydrophobicContact CG1-CG2 4.09Å; V160-T177 HydrophobicContact CG2-CG2 4.26Å; V160-V252 HydrophobicContact CG1-CG2 3.8Å
161E97.3Very high97.4Very high40 Ų4045.2 Ų45.219%0.18721%0.212CC..Iπ-helixtrans-85.9-23.2179.6-69.2-176.1-160.700113.2Y152 R157 E158 W245 R248 P296Y152-E161 HydrophobicContact CE2-CG 3.76Å; Y152-E161 WeakPolarHBondContact CE2-OE1 3.35Å; Y152-E161 WeakPolarHBondContact OH-CG 3.3Å; Y152-E161 PolarHBondContact OH-OE1 3.23Å; R157-E161 HydrophobicContact CB-CG 4.48Å; R157-E161 IonicContact CZ-OE1 3.25Å; R157-E161 IonicContact CZ-OE2 3.88Å; R157-E161 IonicContact NE-OE1 3.85Å; R157-E161 PolarHBondContact NE-OE1 3.4Å; R157-E161 IonicContact NE-OE2 2.64Å; R157-E161 PolarHBondContact NE-OE2 3.5Å; R157-E161 IonicContact NH2-OE1 3.22Å; R157-E161 PolarHBondContact NH2-OE1 3.34Å; R157-E161 IonicContact NH2-OE2 2.69Å; R157-E161 PolarHBondContact NH2-OE2 3.4Å; R157-E161 WeakPolarHBondContact O-CB 3.25Å; R157-E161 PolarHBondContact O-N 3.41Å; E158-E161 PolarHBondContact O-N 3.26Å; E161-W245 WeakPolarHBondContact OE1-CH2 3.24Å; E161-R248 IonicContact OE1-NH2 2.89Å; E161-R248 PolarHBondContact OE1-NH2 2.89Å; E161-R248 VanDerWaalsContact OE1-NH2 3.15Å; E161-R248 IonicContact OE2-NH2 2.65Å; E161-P296 HydrophobicContact CB-CG 3.74Å; E161-P296 HydrophobicContact CG-CG 4.49Å; E161-P296 WeakPolarHBondContact OE2-CD 3.38Å; E161-P296 WeakPolarHBondContact OE2-CG 3.4Å
162V95.4Very high97.4Very high43 Ų4343.5 Ų43.526%0.26121%0.206SC..Iπ-helixtrans-115.4-49.4-174.7-173.80000112.8E158 P296E158-V162 VanDerWaalsContact O-CB 3.27Å; E158-V162 WeakPolarHBondContact O-CB 3.09Å; E158-V162 WeakPolarHBondContact O-CG2 3.49Å; E158-V162 PolarHBondContact O-N 3.36Å; V162-P296 HydrophobicContact CG2-CB 3.65Å; V162-P296 HydrophobicContact CG2-CG 3.92Å
163Q96.3Very high97.4Very high55 Ų5543.7 Ų43.726%0.25721%0.208SC..Iπ-helixtrans-85.5-46.1-171.3-55.3-179.228.300112.7A127 E158 K159 E166 L167A127-Q163 HydrophobicContact CB-CB 4.21Å; E158-Q163 PolarHBondContact OE1-NE2 3.47Å; E158-Q163 PolarHBondContact OE2-NE2 3.02Å; K159-Q163 WeakPolarHBondContact O-CA 3.27Å; K159-Q163 WeakPolarHBondContact O-CB 3.5Å; K159-Q163 PolarHBondContact O-N 2.88Å; Q163-E166 PolarHBondContact O-N 3.41Å; Q163-L167 PolarHBondContact O-N 3.34Å
164L97.3Very high97.3Very high9 Ų943.6 Ų43.65%0.04721%0.208CC..Hα-helixtrans-65.3-34.9-176.2-61-168.4000114.6E148 A150 K159 V160 E166 L167 Y168 A175E148-L164 HydrophobicContact CB-CD2 4.22Å; E148-L164 HydrophobicContact CG-CD1 4.36Å; E148-L164 HydrophobicContact CG-CD2 3.96Å; A150-L164 HydrophobicContact CB-CD1 4Å; K159-L164 HydrophobicContact CG-CD2 4.41Å; K159-L164 HydrophobicContact CG-CG 4.37Å; K159-L164 WeakPolarHBondContact O-CG 3.45Å; K159-L164 PolarHBondContact O-N 3.22Å; V160-L164 HydrophobicContact CB-CD1 4.33Å; V160-L164 HydrophobicContact CG1-CD1 4.43Å; V160-L164 HydrophobicContact CG2-CD1 3.84Å; L164-E166 VanDerWaalsContact C-N 3.29Å; L164-E166 PolarHBondContact O-N 2.92Å; L164-L167 HydrophobicContact CD2-CD1 3.84Å; L164-L167 PolarHBondContact O-N 3.36Å; L164-Y168 PolarHBondContact O-N 3.31Å; L164-A175 HydrophobicContact CD1-CB 3.53Å
165P97Very high97.3Very high40 Ų4043.7 Ų43.726%0.2621%0.208SC..Hα-helixtrans-59.9-39.8174.9-26.537.2000112.4V160 Y168 H169V160-P165 WeakPolarHBondContact O-CD 3.42Å; P165-Y168 PolarHBondContact O-N 3.21Å; P165-H169 PolarHBondContact O-CD2 3.32Å; P165-H169 PolarHBondContact O-N 3.16Å
166E95.9Very high97.4Very high103 Ų10342.6 Ų42.648%0.48120%0.203SC..Hα-helixtrans-63.5-42.7175.6-72-65.613800111.7Q163 L164 H169 K170Q163-E166 PolarHBondContact O-N 3.41Å; L164-E166 VanDerWaalsContact C-N 3.29Å; L164-E166 PolarHBondContact O-N 2.92Å; E166-H169 PolarHBondContact O-N 2.99Å; E166-K170 VanDerWaalsContact O-CB 3.32Å; E166-K170 WeakPolarHBondContact O-CB 3.32Å; E166-K170 VanDerWaalsContact O-CG 3.24Å; E166-K170 WeakPolarHBondContact O-CG 3.41Å; E166-K170 PolarHBondContact O-N 2.77Å; E166-K170 VanDerWaalsContact OE2-CE 3.24Å; E166-K170 WeakPolarHBondContact OE2-CE 3.43Å; E166-K170 IonicContact OE2-NZ 2.77Å
167L97.6Very high97.4Very high7 Ų738.9 Ų38.94%0.03719%0.186CC..Hα-helixtrans-63.8-41.3175.5-65.7176.5000111.9A127 I130 M131 Q163 L164 H169 K170 I171 G172 V173A127-L167 HydrophobicContact CB-CD1 3.98Å; A127-L167 HydrophobicContact CB-CD2 4.3Å; A127-L167 HydrophobicContact CB-CG 4.32Å; I130-L167 HydrophobicContact CB-CD1 4.2Å; I130-L167 HydrophobicContact CD1-CD1 3.69Å; I130-L167 HydrophobicContact CG2-CD1 4.13Å; M131-L167 HydrophobicContact CE-CD2 3.9Å; Q163-L167 PolarHBondContact O-N 3.34Å; L164-L167 HydrophobicContact CD2-CD1 3.84Å; L164-L167 PolarHBondContact O-N 3.36Å; L167-H169 PolarHBondContact O-N 3.12Å; L167-K170 PolarHBondContact O-N 2.86Å; L167-I171 HydrophobicContact CB-CG1 4.41Å; L167-I171 HydrophobicContact CD2-CD1 4.17Å; L167-I171 WeakPolarHBondContact O-CG1 3.17Å; L167-I171 PolarHBondContact O-N 2.94Å; L167-G172 PolarHBondContact O-N 2.79Å; L167-G172 VanDerWaalsContact O-N 3.16Å; L167-V173 HydrophobicContact CB-CB 4.42Å
168Y97.7Very high97.4Very high81 Ų8140.2 Ų40.232%0.31819%0.191SC..Hα-helixtrans-59.4-46.9175.8178.4-95000111.6K8 L164 P165 G172 V173K8-Y168 WeakPolarHBondContact CE-O 3.46Å; K8-Y168 HydrophobicContact CG-CE2 4.03Å; L164-Y168 PolarHBondContact O-N 3.31Å; P165-Y168 PolarHBondContact O-N 3.21Å; Y168-G172 WeakPolarHBondContact O-CA 3.2Å; Y168-G172 PolarHBondContact O-N 2.97Å; Y168-V173 VanDerWaalsContact CA-O 3.31Å; Y168-V173 WeakPolarHBondContact CA-O 3.02Å; Y168-V173 WeakPolarHBondContact CB-O 3.47Å
169H97.1Very high97.5Very high126 Ų12636.5 Ų36.558%0.58318%0.176SC*.Hα-helixtrans-67.3-43.8179.7-70.4-56.8000112.3K8 P165 E166 L167K8-H169 PolarHBondContact NZ-O 2.92Å; P165-H169 PolarHBondContact O-CD2 3.32Å; P165-H169 PolarHBondContact O-N 3.16Å; E166-H169 PolarHBondContact O-N 2.99Å; L167-H169 PolarHBondContact O-N 3.12Å
170K97.6Very high97.6Very high135 Ų13535.3 Ų35.359%0.58717%0.171SC*.Hα-helixtrans-74.5-46.4-175.7-69.8173.8-172.3-65.80113.7M131 E166 L167M131-K170 HydrophobicContact CE-CB 4.36Å; M131-K170 HydrophobicContact CE-CD 4.33Å; E166-K170 VanDerWaalsContact O-CB 3.32Å; E166-K170 WeakPolarHBondContact O-CB 3.32Å; E166-K170 VanDerWaalsContact O-CG 3.24Å; E166-K170 WeakPolarHBondContact O-CG 3.41Å; E166-K170 PolarHBondContact O-N 2.77Å; E166-K170 VanDerWaalsContact OE2-CE 3.24Å; E166-K170 WeakPolarHBondContact OE2-CE 3.43Å; E166-K170 IonicContact OE2-NZ 2.77Å; L167-K170 PolarHBondContact O-N 2.86Å
171I98.1Very high97.6Very high25 Ų2536.1 Ų36.113%0.12818%0.175CC..Hα-helixtrans-129.6-2.4-169.160.6166.2000113.9I130 M131 Y134 L167 V173I130-I171 HydrophobicContact CG2-CD1 3.97Å; M131-I171 HydrophobicContact CE-CD1 4.14Å; M131-I171 HydrophobicContact CE-CG1 4.34Å; M131-I171 HydrophobicContact CE-CG2 3.76Å; M131-I171 HydrophobicContact SD-CG2 3.82Å; Y134-I171 HydrophobicContact CD1-CB 4.28Å; Y134-I171 HydrophobicContact CD1-CG2 3.47Å; Y134-I171 VanDerWaalsContact CD1-CG2 3.47Å; Y134-I171 HydrophobicContact CD2-CB 3.68Å; Y134-I171 HydrophobicContact CD2-CD1 4.23Å; Y134-I171 HydrophobicContact CD2-CG2 3.83Å; Y134-I171 HydrophobicContact CE1-CB 4.3Å; Y134-I171 HydrophobicContact CE1-CG2 3.48Å; Y134-I171 VanDerWaalsContact CE1-CG2 3.48Å; Y134-I171 HydrophobicContact CE2-CB 3.7Å; Y134-I171 HydrophobicContact CE2-CG2 3.83Å; Y134-I171 HydrophobicContact CG-CB 3.96Å; Y134-I171 HydrophobicContact CG-CD1 4.13Å; Y134-I171 HydrophobicContact CG-CG2 3.64Å; L167-I171 HydrophobicContact CB-CG1 4.41Å; L167-I171 HydrophobicContact CD2-CD1 4.17Å; L167-I171 WeakPolarHBondContact O-CG1 3.17Å; L167-I171 PolarHBondContact O-N 2.94Å; I171-V173 HydrophobicContact CD1-CB 4.42Å; I171-V173 HydrophobicContact CD1-CG2 3.54Å; I171-V173 HydrophobicContact CG1-CB 4.37Å; I171-V173 HydrophobicContact CG1-CG2 3.8Å
172G97.7Very high97.5Very high8 Ų834.3 Ų34.38%0.08217%0.167CC..  trans82.39.2173.400000115.6G7 K8 L167 Y168 G174G7-G172 WeakPolarHBondContact CA-O 3.44Å; K8-G172 PolarHBondContact N-O 3.47Å; L167-G172 PolarHBondContact O-N 2.79Å; L167-G172 VanDerWaalsContact O-N 3.16Å; Y168-G172 WeakPolarHBondContact O-CA 3.2Å; Y168-G172 PolarHBondContact O-N 2.97Å; G172-G174 PolarHBondContact O-N 3.01Å
173V98.1Very high97.5Very high4 Ų432.8 Ų32.82%0.02416%0.158CC..  trans-68.1124.9177.7172.30000110.1I130 P145 E148 L167 Y168 I171I130-V173 HydrophobicContact CG2-CG1 4.43Å; I130-V173 HydrophobicContact CG2-CG2 4.02Å; P145-V173 WeakPolarHBondContact O-CG2 3.42Å; E148-V173 HydrophobicContact CB-CG1 4.19Å; L167-V173 HydrophobicContact CB-CB 4.42Å; Y168-V173 VanDerWaalsContact CA-O 3.31Å; Y168-V173 WeakPolarHBondContact CA-O 3.02Å; Y168-V173 WeakPolarHBondContact CB-O 3.47Å; I171-V173 HydrophobicContact CD1-CB 4.42Å; I171-V173 HydrophobicContact CD1-CG2 3.54Å; I171-V173 HydrophobicContact CG1-CB 4.37Å; I171-V173 HydrophobicContact CG1-CG2 3.8Å
174G97.4Very high97.4Very high1 Ų130.7 Ų30.71%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-85.5163.2175.200000113.6V146 C147 E148 G172V146-G174 PolarHBondContact O-N 3.41Å; C147-G174 CarbonylContact C-O 3.55Å; C147-G174 VanDerWaalsContact CA-O 3.25Å; C147-G174 WeakPolarHBondContact CA-O 3.1Å; E148-G174 PolarHBondContact N-O 3.28Å; G172-G174 PolarHBondContact O-N 3.01Å
175A98.4Very high97.3Very high3 Ų330.3 Ų30.33%0.02515%0.149CC..EExtended strand (participates in β ladder)trans-104.9123.6173.300000111L164 S253L164-A175 HydrophobicContact CD1-CB 3.53Å; A175-S253 WeakPolarHBondContact O-CB 3.25Å; A175-S253 PolarHBondContact O-N 2.91Å
176M98.7Very high97.3Very high0 Ų028.4 Ų28.40%014%0.137CC..EExtended strand (participates in β ladder)trans-112.5113.9166.3179.2-175.3-60.500107.5L6 L47 E148 Q149 A150 S254 L256L6-M176 HydrophobicContact CD1-CB 4.29Å; L6-M176 HydrophobicContact CD1-CE 3.97Å; L6-M176 HydrophobicContact CD2-CE 3.92Å; L47-M176 HydrophobicContact CD1-CE 3.8Å; L47-M176 HydrophobicContact CD1-SD 4.38Å; L47-M176 HydrophobicContact CD2-CE 3.62Å; L47-M176 HydrophobicContact CD2-CG 4.33Å; L47-M176 HydrophobicContact CD2-SD 3.87Å; L47-M176 HydrophobicContact CG-CE 4.35Å; E148-M176 PolarHBondContact O-N 3.37Å; Q149-M176 CarbonylContact C-O 3.59Å; Q149-M176 WeakPolarHBondContact CA-O 3.34Å; Q149-M176 HydrophobicContact CG-CB 4.05Å; Q149-M176 HydrophobicContact CG-CG 4.13Å; Q149-M176 HydrophobicContact CG-SD 3.87Å; A150-M176 PolarHBondContact N-O 3.32Å; A150-M176 VanDerWaalsContact N-O 3.13Å; M176-S254 CarbonylContact C-O 3.57Å; M176-S254 WeakPolarHBondContact CA-O 3.47Å; M176-L256 HydrophobicContact CG-CD1 4.14Å; M176-L256 HydrophobicContact CG-CD2 4.4Å; M176-L256 HydrophobicContact CG-CG 4.02Å; M176-L256 HydrophobicContact SD-CD1 3.98Å; M176-L256 HydrophobicContact SD-CD2 4.13Å; M176-L256 HydrophobicContact SD-CG 4.19Å
177T98.8Very high97.2Very high0 Ų025.1 Ų25.10%013%0.125CC..EExtended strand (participates in β ladder)trans-98.3154.7-169.163.70000113A150 Y152 V160 V252 S254 V255 L256A150-T177 CarbonylContact O-C 3.4Å; A150-T177 WeakPolarHBondContact O-CA 3.38Å; Y152-T177 VanDerWaalsContact CB-CG2 3.49Å; Y152-T177 HydrophobicContact CD1-CG2 4.03Å; Y152-T177 HydrophobicContact CG-CG2 4.12Å; V160-T177 HydrophobicContact CG1-CG2 4.09Å; V160-T177 HydrophobicContact CG2-CG2 4.26Å; T177-V252 HydrophobicContact CG2-CG1 3.88Å; T177-V252 HydrophobicContact CG2-CG2 4Å; T177-S254 PolarHBondContact N-O 2.76Å; T177-V255 WeakPolarHBondContact OG1-CG2 3.2Å; T177-L256 WeakPolarHBondContact O-CB 3.2Å; T177-L256 PolarHBondContact O-N 3.16Å
178W98.6Very high96.9Very high37 Ų3726.2 Ų26.214%0.1414%0.139CC..EExtended strand (participates in β ladder)trans-131.5163179.455.5-100.2000112.8R124 Q149 A150 E151 Y152 L256R124-W178 HydrophobicContact CG-CZ2 4.19Å; Q149-W178 PolarHBondContact O-NE1 2.58Å; Q149-W178 VanDerWaalsContact O-NE1 3.1Å; A150-W178 VanDerWaalsContact C-CD1 3.4Å; A150-W178 PolarHBondContact O-N 3.39Å; E151-W178 HydrophobicContact CB-CD2 4.13Å; E151-W178 HydrophobicContact CB-CE3 4.04Å; E151-W178 HydrophobicContact CB-CH2 3.39Å; E151-W178 HydrophobicContact CB-CZ2 3.51Å; E151-W178 HydrophobicContact CB-CZ3 3.67Å; E151-W178 VanDerWaalsContact CD-CH2 3.45Å; E151-W178 HydrophobicContact CG-CD2 4.45Å; E151-W178 HydrophobicContact CG-CE3 3.88Å; E151-W178 HydrophobicContact CG-CH2 3.61Å; E151-W178 HydrophobicContact CG-CZ2 4.23Å; E151-W178 HydrophobicContact CG-CZ3 3.4Å; E151-W178 VanDerWaalsContact CG-CZ3 3.4Å; E151-W178 VanDerWaalsContact N-CE2 3.26Å; E151-W178 WeakPolarHBondContact OE2-CH2 3.33Å; Y152-W178 PolarHBondContact N-O 2.81Å; W178-L256 HydrophobicContact CB-CB 4.48Å; W178-L256 HydrophobicContact CB-CD1 4.47Å
179S98.1Very high96.6Very high16 Ų1626.1 Ų26.111%0.11214%0.14CC..  trans5250.1-174.9-70.10000114.6H153 L181 A182H153-S179 PolarHBondContact CD2-O 2.93Å; S179-L181 PolarHBondContact O-N 2.6Å; S179-A182 PolarHBondContact O-N 2.83Å
180P98.1Very high96.4Very high5 Ų520.5 Ų20.53%0.03211%0.113CC..THydrogen-bonded Turntrans-58.2-23.7-178.826.8-37.2000113.9Y152 H153 I186 V243 V255 L256 L257Y152-P180 WeakPolarHBondContact O-CA 3.47Å; H153-P180 VanDerWaalsContact CB-O 3.3Å; H153-P180 WeakPolarHBondContact CB-O 3.48Å; P180-I186 WeakPolarHBondContact O-CD1 3.38Å; P180-V243 HydrophobicContact CB-CG2 4.25Å; P180-V243 HydrophobicContact CG-CG2 4.37Å; P180-V255 HydrophobicContact CB-CG1 3.56Å; P180-V255 HydrophobicContact CG-CG1 3.56Å; P180-L256 WeakPolarHBondContact CD-O 3.25Å; P180-L257 HydrophobicContact CG-CD2 4.16Å
181L97.9Very high95.9Very high21 Ų2115.7 Ų15.711%0.1110%0.102CC..THydrogen-bonded Turntrans-102.313.3176.9-56.7-176.9000113.6S179 C183 G184 I185 I186 P239 A242 V243S179-L181 PolarHBondContact O-N 2.6Å; L181-C183 PolarHBondContact O-N 3.44Å; L181-G184 CarbonylContact O-C 3.55Å; L181-G184 VanDerWaalsContact O-C 3.31Å; L181-G184 WeakPolarHBondContact O-CA 3.39Å; L181-G184 PolarHBondContact O-N 3.41Å; L181-I185 PolarHBondContact O-N 2.65Å; L181-I186 HydrophobicContact CB-CB 4.47Å; L181-I186 HydrophobicContact CD2-CB 4.4Å; L181-I186 HydrophobicContact CD2-CG2 4.25Å; L181-I186 PolarHBondContact O-N 2.66Å; L181-I186 VanDerWaalsContact O-N 3.08Å; L181-P239 HydrophobicContact CD1-CB 3.95Å; L181-P239 HydrophobicContact CD2-CB 4.01Å; L181-A242 HydrophobicContact CD2-CB 3.84Å; L181-V243 HydrophobicContact CD2-CG2 4.14Å
182A96.7Very high95.4Very high1 Ų122.6 Ų22.61%0.00814%0.139CC..G310 helixtrans4857.4-177.100000112.1S179 G184 I185 I186S179-A182 PolarHBondContact O-N 2.83Å; A182-G184 PolarHBondContact O-N 3.24Å; A182-I185 HydrophobicContact CB-CB 4.03Å; A182-I185 HydrophobicContact CB-CD1 4.48Å; A182-I185 VanDerWaalsContact O-CB 3.26Å; A182-I185 WeakPolarHBondContact O-CB 3.17Å; A182-I185 WeakPolarHBondContact O-CD1 3.26Å; A182-I185 WeakPolarHBondContact O-CG1 3.17Å; A182-I185 PolarHBondContact O-N 3.27Å; A182-I185 VanDerWaalsContact O-N 3.08Å; A182-I186 HydrophobicContact CB-CD1 3.89Å; A182-I186 HydrophobicContact CB-CG1 4.15Å
183C94.9Very high95Very high11 Ų1124.1 Ų24.17%0.07416%0.155CC..G310 helixtrans57.927.7-174.8-650000114.8L181 L208L181-C183 PolarHBondContact O-N 3.44Å; C183-L208 HydrophobicContact CB-CD1 3.84Å; C183-L208 HydrophobicContact CB-CD2 3.73Å; C183-L208 HydrophobicContact CB-CG 4.47Å
184G94.1Very high94.6Very high11 Ų1126 Ų2611%0.11317%0.166CC..G310 helixtrans91.8-2.1-179.100000114L181 A182 I186 S187L181-G184 CarbonylContact O-C 3.55Å; L181-G184 VanDerWaalsContact O-C 3.31Å; L181-G184 WeakPolarHBondContact O-CA 3.39Å; L181-G184 PolarHBondContact O-N 3.41Å; A182-G184 PolarHBondContact O-N 3.24Å; G184-I186 PolarHBondContact O-N 3.13Å; G184-S187 WeakPolarHBondContact O-CB 3.13Å; G184-S187 PolarHBondContact O-N 2.96Å; G184-S187 VanDerWaalsContact O-N 3.15Å; G184-S187 PolarHBondContact O-OG 2.82Å
185I95Very high94.4Very high2 Ų228.1 Ų28.11%0.0118%0.18CC..G310 helixtrans-54.8-44176.9-69.3172.4000111.1L181 A182 S187 G188 Y190 L208 I212 Q221 L224L181-I185 PolarHBondContact O-N 2.65Å; A182-I185 HydrophobicContact CB-CB 4.03Å; A182-I185 HydrophobicContact CB-CD1 4.48Å; A182-I185 VanDerWaalsContact O-CB 3.26Å; A182-I185 WeakPolarHBondContact O-CB 3.17Å; A182-I185 WeakPolarHBondContact O-CD1 3.26Å; A182-I185 WeakPolarHBondContact O-CG1 3.17Å; A182-I185 PolarHBondContact O-N 3.27Å; A182-I185 VanDerWaalsContact O-N 3.08Å; I185-S187 PolarHBondContact O-N 3.39Å; I185-G188 PolarHBondContact O-N 3.19Å; I185-Y190 HydrophobicContact CG1-CD2 4.2Å; I185-Y190 HydrophobicContact CG1-CE2 4.13Å; I185-L208 HydrophobicContact CD1-CD1 4.01Å; I185-I212 HydrophobicContact CD1-CG1 3.97Å; I185-I212 HydrophobicContact CG1-CD1 4.3Å; I185-I212 HydrophobicContact CG1-CG1 3.88Å; I185-Q221 PolarHBondContact O-NE2 3.04Å; I185-L224 HydrophobicContact CG2-CD1 4.48Å; I185-L224 WeakPolarHBondContact O-CD1 3.12Å
186I96.3Very high93.9Very high0 Ų036.6 Ų36.60%022%0.219CC..G310 helixtrans-72.3-12.4-175.4-65.9165.4000112.8H153 L154 F155 P180 L181 A182 G184 G188 L224 L238 A242H153-I186 HydrophobicContact CB-CD1 3.73Å; L154-I186 HydrophobicContact CB-CD1 4.26Å; L154-I186 HydrophobicContact CD1-CD1 4.41Å; L154-I186 HydrophobicContact CD1-CG2 3.88Å; L154-I186 HydrophobicContact CG-CD1 4.41Å; F155-I186 HydrophobicContact CD2-CD1 4.23Å; F155-I186 HydrophobicContact CD2-CG1 4.06Å; F155-I186 HydrophobicContact CE2-CD1 4.37Å; F155-I186 HydrophobicContact CE2-CG1 3.77Å; P180-I186 WeakPolarHBondContact O-CD1 3.38Å; L181-I186 HydrophobicContact CB-CB 4.47Å; L181-I186 HydrophobicContact CD2-CB 4.4Å; L181-I186 HydrophobicContact CD2-CG2 4.25Å; L181-I186 PolarHBondContact O-N 2.66Å; L181-I186 VanDerWaalsContact O-N 3.08Å; A182-I186 HydrophobicContact CB-CD1 3.89Å; A182-I186 HydrophobicContact CB-CG1 4.15Å; G184-I186 PolarHBondContact O-N 3.13Å; I186-G188 PolarHBondContact O-N 3.08Å; I186-L224 HydrophobicContact CB-CD2 4.22Å; I186-L224 HydrophobicContact CG1-CD2 4.23Å; I186-L224 HydrophobicContact CG2-CD2 3.97Å; I186-L238 HydrophobicContact CG2-CG 4.5Å; I186-L238 WeakPolarHBondContact O-CD2 3.32Å; I186-L238 VanDerWaalsContact O-CG 3.26Å; I186-L238 WeakPolarHBondContact O-CG 3.24Å; I186-A242 HydrophobicContact CG2-CB 3.41Å; I186-A242 VanDerWaalsContact CG2-CB 3.41Å
187S93.9Very high93.3Very high33 Ų3341.5 Ų41.523%0.23125%0.253CS..G310 helixtrans-71.5-9.3173.868.90000114.1G184 I185 K189G184-S187 WeakPolarHBondContact O-CB 3.13Å; G184-S187 PolarHBondContact O-N 2.96Å; G184-S187 VanDerWaalsContact O-N 3.15Å; G184-S187 PolarHBondContact O-OG 2.82Å; I185-S187 PolarHBondContact O-N 3.39Å; S187-K189 PolarHBondContact O-N 3.16Å; S187-K189 WeakPolarHBondContact OG-CB 3.41Å; S187-K189 WeakPolarHBondContact OG-CE 3.44Å; S187-K189 WeakPolarHBondContact OG-CG 3.25Å; S187-K189 PolarHBondContact OG-N 3.25Å
188G90.9Very high93Very high31 Ų3141.7 Ų41.732%0.3226%0.255SS..SBendtrans77.2-5.1-175.200000114.5I185 I186 Y190 G191I185-G188 PolarHBondContact O-N 3.19Å; I186-G188 PolarHBondContact O-N 3.08Å; G188-Y190 PolarHBondContact O-N 2.87Å; G188-G191 PolarHBondContact O-N 3.18Å
189K92.6Very high92.6Very high79 Ų7941.4 Ų41.434%0.34325%0.254SS..THydrogen-bonded Turntrans-58.7-16-176.678.817976-1700115.3S187 P195S187-K189 PolarHBondContact O-N 3.16Å; S187-K189 WeakPolarHBondContact OG-CB 3.41Å; S187-K189 WeakPolarHBondContact OG-CE 3.44Å; S187-K189 WeakPolarHBondContact OG-CG 3.25Å; S187-K189 PolarHBondContact OG-N 3.25Å; K189-P195 WeakPolarHBondContact O-CG 3.21Å
190Y93.3Very high92.4Very high7 Ų740.8 Ų40.83%0.02725%0.249CC..THydrogen-bonded Turntrans-100.86.8-178.4-55.5-68.9000114.3I185 G188 N192 G193 V194 S198 A200 I212I185-Y190 HydrophobicContact CG1-CD2 4.2Å; I185-Y190 HydrophobicContact CG1-CE2 4.13Å; G188-Y190 PolarHBondContact O-N 2.87Å; Y190-N192 PolarHBondContact O-N 3.43Å; Y190-G193 CarbonylContact C-O 3.59Å; Y190-G193 VanDerWaalsContact CA-O 3.24Å; Y190-G193 WeakPolarHBondContact CA-O 3.49Å; Y190-G193 PolarHBondContact O-N 3.15Å; Y190-V194 HydrophobicContact CD1-CG2 4.4Å; Y190-V194 HydrophobicContact CE1-CG1 4.44Å; Y190-S198 WeakPolarHBondContact CE1-OG 3.37Å; Y190-A200 HydrophobicContact CE1-CB 3.84Å; Y190-I212 HydrophobicContact CD1-CD1 3.86Å; Y190-I212 HydrophobicContact CD1-CG2 4.44Å; Y190-I212 HydrophobicContact CD2-CD1 3.8Å; Y190-I212 HydrophobicContact CD2-CG1 4.3Å; Y190-I212 HydrophobicContact CE1-CD1 3.77Å; Y190-I212 HydrophobicContact CE2-CD1 3.69Å; Y190-I212 HydrophobicContact CG-CD1 3.87Å; Y190-I212 HydrophobicContact CG-CG1 4.42Å; Y190-I212 HydrophobicContact CG-CG2 4.08Å
191G87.1Confident92.1Very high34 Ų3443 Ų4335%0.35127%0.265SS..THydrogen-bonded Turntrans-60.1-27.2-177.800000114.2G188G188-G191 PolarHBondContact O-N 3.18Å
192N87.1Confident91.7Very high170 Ų17044.6 Ų44.691%0.90927%0.273SS*.THydrogen-bonded Turntrans-118.129-178.2-63.4-26.1000112.7Y190Y190-N192 PolarHBondContact O-N 3.43Å
193G88Confident91.2Very high40 Ų4054.4 Ų54.441%0.41232%0.316SS..SBendtrans107.8-167.5-177.900000113.1Y190 P195Y190-G193 CarbonylContact C-O 3.59Å; Y190-G193 VanDerWaalsContact CA-O 3.24Å; Y190-G193 WeakPolarHBondContact CA-O 3.49Å; Y190-G193 PolarHBondContact O-N 3.15Å; G193-P195 WeakPolarHBondContact O-CD 3.46Å
194V91.6Very high90.8Very high43 Ų4359.1 Ų59.126%0.26135%0.347SS..  trans-100.6110-175.21770000110.4Y190 S198 A200 K209 I212Y190-V194 HydrophobicContact CD1-CG2 4.4Å; Y190-V194 HydrophobicContact CE1-CG1 4.44Å; V194-S198 WeakPolarHBondContact CG1-OG 3.33Å; V194-A200 HydrophobicContact CG1-CB 3.78Å; V194-K209 HydrophobicContact CG2-CG 4.23Å; V194-I212 HydrophobicContact CG2-CG2 4.43Å
195P92.4Very high90.7Very high46 Ų4660 Ų6030%0.29935%0.348SS..  trans-64.3144.8177-2031.9000111.8K189 G193 S197 S198K189-P195 WeakPolarHBondContact O-CG 3.21Å; G193-P195 WeakPolarHBondContact O-CD 3.46Å; P195-S197 VanDerWaalsContact C-N 3.3Å; P195-S197 PolarHBondContact O-N 3.13Å; P195-S198 WeakPolarHBondContact O-CB 3.44Å; P195-S198 PolarHBondContact O-N 3.42Å; P195-S198 PolarHBondContact O-OG 3.4Å
196E88.7Confident90.4Very high181 Ų18164.4 Ų64.485%0.84637%0.368SS*.THydrogen-bonded Turntrans-62.9-32.7-177.6-66.4-173.7168.100113.8S198 S201E196-S198 VanDerWaalsContact C-N 3.28Å; E196-S198 PolarHBondContact O-N 2.98Å; E196-S201 WeakPolarHBondContact O-CB 3.34Å; E196-S201 PolarHBondContact O-OG 2.9Å
197S86.1Confident90.3Very high103 Ų10369.6 Ų69.672%0.7239%0.388SS*.THydrogen-bonded Turntrans-84.1-0.2177.660.30000113.9P195P195-S197 VanDerWaalsContact C-N 3.3Å; P195-S197 PolarHBondContact O-N 3.13Å
198S91Very high90.2Very high4 Ų468 Ų683%0.02838%0.377CS..SBendtrans-78.5165.5-174.975.80000112.9Y190 V194 P195 E196 A200 S201Y190-S198 WeakPolarHBondContact CE1-OG 3.37Å; V194-S198 WeakPolarHBondContact CG1-OG 3.33Å; P195-S198 WeakPolarHBondContact O-CB 3.44Å; P195-S198 PolarHBondContact O-N 3.42Å; P195-S198 PolarHBondContact O-OG 3.4Å; E196-S198 VanDerWaalsContact C-N 3.28Å; E196-S198 PolarHBondContact O-N 2.98Å; S198-A200 PolarHBondContact O-N 3.28Å; S198-A200 PolarHBondContact OG-N 3.48Å; S198-S201 PolarHBondContact O-N 3.32Å; S198-S201 PolarHBondContact O-OG 3.15Å
199R91.6Very high90.3Very high32 Ų3270.8 Ų70.812%0.12138%0.38CS..G310 helixtrans-62.5-32.8174.2-176.9175.2-68.9-173.9-3.9112.1V22 S201 L202 Y205 L208V22-R199 HydrophobicContact CG1-CG 4.25Å; V22-R199 VanDerWaalsContact CG2-CZ 3.49Å; R199-S201 VanDerWaalsContact C-N 3.29Å; R199-S201 PolarHBondContact O-N 2.98Å; R199-L202 HydrophobicContact CG-CD1 4.41Å; R199-L202 WeakPolarHBondContact O-CB 3.23Å; R199-L202 WeakPolarHBondContact O-CG 3.45Å; R199-L202 PolarHBondContact O-N 2.93Å; R199-Y205 HydrophobicContact CG-CD1 3.88Å; R199-Y205 HydrophobicContact CG-CE1 4.13Å; R199-Y205 HydrophobicContact CG-CG 4.26Å; R199-Y205 WeakPolarHBondContact O-CB 3.36Å; R199-L208 HydrophobicContact CB-CD2 4.1Å; R199-L208 HydrophobicContact CG-CD2 3.82Å
200A93.1Very high90.3Very high2 Ų272.2 Ų72.22%0.01739%0.388CS..G310 helixtrans-76.6-11.1-175.500000114.1Y190 V194 S198 L208 K209 I212Y190-A200 HydrophobicContact CE1-CB 3.84Å; V194-A200 HydrophobicContact CG1-CB 3.78Å; S198-A200 PolarHBondContact O-N 3.28Å; S198-A200 PolarHBondContact OG-N 3.48Å; A200-L208 HydrophobicContact CB-CD2 4.03Å; A200-L208 HydrophobicContact CB-CG 4.02Å; A200-K209 HydrophobicContact CB-CB 4.49Å; A200-I212 HydrophobicContact CB-CD1 3.49Å; A200-I212 VanDerWaalsContact CB-CD1 3.49Å
201S91.9Very high90.3Very high52 Ų5275.4 Ų75.436%0.36440%0.4SS..G310 helixtrans-86.2-13.2172.763.80000113.2E196 S198 R199E196-S201 WeakPolarHBondContact O-CB 3.34Å; E196-S201 PolarHBondContact O-OG 2.9Å; S198-S201 PolarHBondContact O-N 3.32Å; S198-S201 PolarHBondContact O-OG 3.15Å; R199-S201 VanDerWaalsContact C-N 3.29Å; R199-S201 PolarHBondContact O-N 2.98Å
202L90.4Very high90.5Very high55 Ų5574.2 Ų74.229%0.28839%0.385SS..SBendtrans-66.8137.4-179.2-61.7177.2000110.9V22 Q27 R199 C204 Y205V22-L202 HydrophobicContact CG1-CD1 3.68Å; Q27-L202 HydrophobicContact CB-CD1 4.46Å; Q27-L202 HydrophobicContact CG-CD1 4.3Å; R199-L202 HydrophobicContact CG-CD1 4.41Å; R199-L202 WeakPolarHBondContact O-CB 3.23Å; R199-L202 WeakPolarHBondContact O-CG 3.45Å; R199-L202 PolarHBondContact O-N 2.93Å; L202-C204 VanDerWaalsContact C-N 3.26Å; L202-C204 PolarHBondContact O-N 2.99Å; L202-C204 VanDerWaalsContact O-N 3.09Å; L202-Y205 HydrophobicContact CB-CD2 3.6Å; L202-Y205 HydrophobicContact CB-CE2 4.4Å; L202-Y205 HydrophobicContact CB-CG 4.28Å; L202-Y205 HydrophobicContact CD1-CD2 4.02Å; L202-Y205 HydrophobicContact CD1-CE2 4.14Å; L202-Y205 HydrophobicContact CG-CD2 4.45Å; L202-Y205 PolarHBondContact O-N 2.82Å
203K84.7Confident90.8Very high207 Ų20769.7 Ų69.790%0.936%0.364SS*.G310 helixtrans-50.2-40.6-174.6-72.4-177176.4-179.80114.2Y205K203-Y205 VanDerWaalsContact C-N 3.28Å; K203-Y205 PolarHBondContact O-N 2.91Å
204C87.1Confident91.1Very high109 Ų10969.9 Ų69.974%0.73636%0.359SS*.G310 helixtrans-83.63.2-178.3-560000114.2L202L202-C204 VanDerWaalsContact C-N 3.26Å; L202-C204 PolarHBondContact O-N 2.99Å; L202-C204 VanDerWaalsContact O-N 3.09Å
205Y91Very high91.2Very high31 Ų3173.5 Ų73.512%0.12237%0.373CS..G310 helixtrans-115.325.2-173.7-71-96000112.9W21 V22 R199 L202 K203 W207 L208 K209W21-Y205 HydrophobicContact CH2-CE1 4.34Å; W21-Y205 AromaticContact CZ2-CE1 3.94Å; W21-Y205 HydrophobicContact CZ2-CE1 3.94Å; V22-Y205 HydrophobicContact CG1-CE2 4.02Å; V22-Y205 HydrophobicContact CG2-CE1 3.89Å; V22-Y205 WeakPolarHBondContact CG2-OH 3.41Å; R199-Y205 HydrophobicContact CG-CD1 3.88Å; R199-Y205 HydrophobicContact CG-CE1 4.13Å; R199-Y205 HydrophobicContact CG-CG 4.26Å; R199-Y205 WeakPolarHBondContact O-CB 3.36Å; L202-Y205 HydrophobicContact CB-CD2 3.6Å; L202-Y205 HydrophobicContact CB-CE2 4.4Å; L202-Y205 HydrophobicContact CB-CG 4.28Å; L202-Y205 HydrophobicContact CD1-CD2 4.02Å; L202-Y205 HydrophobicContact CD1-CE2 4.14Å; L202-Y205 HydrophobicContact CG-CD2 4.45Å; L202-Y205 PolarHBondContact O-N 2.82Å; K203-Y205 VanDerWaalsContact C-N 3.28Å; K203-Y205 PolarHBondContact O-N 2.91Å; Y205-W207 AromaticContact CD1-CZ2 3.85Å; Y205-W207 HydrophobicContact CD1-CZ2 3.85Å; Y205-W207 AromaticContact CD1-NE1 3.83Å; Y205-W207 HydrophobicContact CE1-CZ2 4.11Å; Y205-W207 PolarHBondContact O-N 3.44Å; Y205-L208 HydrophobicContact CD1-CD2 4.47Å; Y205-L208 WeakPolarHBondContact O-CA 3.33Å; Y205-L208 WeakPolarHBondContact O-CB 3.41Å; Y205-L208 PolarHBondContact O-N 2.89Å; Y205-K209 PolarHBondContact O-N 3.2Å
206Q90.7Very high91.2Very high94 Ų9475.9 Ų75.944%0.43938%0.38SS..Hα-helixtrans-55-37.2175.9-176.857.82900112.2L208 K209 E210Q206-L208 VanDerWaalsContact C-N 3.25Å; Q206-L208 PolarHBondContact O-N 3.25Å; Q206-K209 WeakPolarHBondContact O-CB 3.5Å; Q206-K209 PolarHBondContact O-N 2.96Å; Q206-K209 VanDerWaalsContact O-N 3.15Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.36Å; Q206-E210 PolarHBondContact NE2-OE1 3.11Å; Q206-E210 WeakPolarHBondContact O-CG 3.32Å; Q206-E210 PolarHBondContact O-N 3.22Å
207W92.9Very high91.4Very high109 Ų10967.3 Ų67.341%0.41334%0.341SS..Hα-helixtrans-57.6-34.917368.3-93.5000113.2W21 Y205 R211W21-W207 HydrophobicContact CH2-CH2 4.41Å; W21-W207 HydrophobicContact CH2-CZ2 4.16Å; W21-W207 HydrophobicContact CZ2-CZ2 4.5Å; Y205-W207 AromaticContact CD1-CZ2 3.85Å; Y205-W207 HydrophobicContact CD1-CZ2 3.85Å; Y205-W207 AromaticContact CD1-NE1 3.83Å; Y205-W207 HydrophobicContact CE1-CZ2 4.11Å; Y205-W207 PolarHBondContact O-N 3.44Å; W207-R211 WeakPolarHBondContact O-CB 3.4Å; W207-R211 PolarHBondContact O-N 3.23Å
208L92.6Very high91.7Very high0 Ų069.3 Ų69.30%033%0.332CS..Hα-helixtrans-74.7-40.3178.6178.662.1000110.2C183 I185 R199 A200 Y205 Q206 R211 I212C183-L208 HydrophobicContact CB-CD1 3.84Å; C183-L208 HydrophobicContact CB-CD2 3.73Å; C183-L208 HydrophobicContact CB-CG 4.47Å; I185-L208 HydrophobicContact CD1-CD1 4.01Å; R199-L208 HydrophobicContact CB-CD2 4.1Å; R199-L208 HydrophobicContact CG-CD2 3.82Å; A200-L208 HydrophobicContact CB-CD2 4.03Å; A200-L208 HydrophobicContact CB-CG 4.02Å; Y205-L208 HydrophobicContact CD1-CD2 4.47Å; Y205-L208 WeakPolarHBondContact O-CA 3.33Å; Y205-L208 WeakPolarHBondContact O-CB 3.41Å; Y205-L208 PolarHBondContact O-N 2.89Å; Q206-L208 VanDerWaalsContact C-N 3.25Å; Q206-L208 PolarHBondContact O-N 3.25Å; L208-R211 PolarHBondContact O-N 2.89Å; L208-I212 HydrophobicContact CD1-CD1 4.21Å; L208-I212 HydrophobicContact CD1-CG1 4.46Å; L208-I212 HydrophobicContact CG-CD1 3.93Å; L208-I212 WeakPolarHBondContact O-CD1 3.41Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.39Å; L208-I212 PolarHBondContact O-N 3.15Å
209K92.3Very high91.9Very high89 Ų8973.7 Ų73.739%0.38735%0.351SS..Hα-helixtrans-58.7-48173.1-179.9170-178.1-177.20110.9V194 A200 Y205 Q206 R211 I212 V213V194-K209 HydrophobicContact CG2-CG 4.23Å; A200-K209 HydrophobicContact CB-CB 4.49Å; Y205-K209 PolarHBondContact O-N 3.2Å; Q206-K209 WeakPolarHBondContact O-CB 3.5Å; Q206-K209 PolarHBondContact O-N 2.96Å; Q206-K209 VanDerWaalsContact O-N 3.15Å; K209-R211 PolarHBondContact O-N 3.3Å; K209-I212 PolarHBondContact O-N 3.23Å; K209-V213 WeakPolarHBondContact O-CG2 3.25Å; K209-V213 PolarHBondContact O-N 2.82Å
210E92.8Very high92.1Very high109 Ų10972.8 Ų72.851%0.50935%0.348SS..Hα-helixtrans-58.9-45.4176-74.8166-167.500112Q206 I212 V213 S214Q206-E210 WeakPolarHBondContact CG-OE1 3.36Å; Q206-E210 PolarHBondContact NE2-OE1 3.11Å; Q206-E210 WeakPolarHBondContact O-CG 3.32Å; Q206-E210 PolarHBondContact O-N 3.22Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 2.9Å; E210-V213 PolarHBondContact O-N 2.76Å; E210-S214 WeakPolarHBondContact O-CB 3.4Å; E210-S214 PolarHBondContact O-N 3.1Å
211R92.9Very high92.1Very high73 Ų7373.5 Ų73.528%0.27535%0.351SS..Hα-helixtrans-59.1-42.4174.5178.5176.9157.9177.7-5.3112.1W207 L208 K209 S214 G217W207-R211 WeakPolarHBondContact O-CB 3.4Å; W207-R211 PolarHBondContact O-N 3.23Å; L208-R211 PolarHBondContact O-N 2.89Å; K209-R211 PolarHBondContact O-N 3.3Å; R211-S214 WeakPolarHBondContact O-CB 3.49Å; R211-S214 PolarHBondContact O-OG 3.39Å; R211-G217 WeakPolarHBondContact O-CA 3.44Å
212I92.4Very high92.2Very high9 Ų975.2 Ų75.25%0.04636%0.356CS..Hα-helixtrans-65.9-44.5-179.9-72.2161.1000111.7I185 Y190 V194 A200 L208 K209 E210 S214I185-I212 HydrophobicContact CD1-CG1 3.97Å; I185-I212 HydrophobicContact CG1-CD1 4.3Å; I185-I212 HydrophobicContact CG1-CG1 3.88Å; Y190-I212 HydrophobicContact CD1-CD1 3.86Å; Y190-I212 HydrophobicContact CD1-CG2 4.44Å; Y190-I212 HydrophobicContact CD2-CD1 3.8Å; Y190-I212 HydrophobicContact CD2-CG1 4.3Å; Y190-I212 HydrophobicContact CE1-CD1 3.77Å; Y190-I212 HydrophobicContact CE2-CD1 3.69Å; Y190-I212 HydrophobicContact CG-CD1 3.87Å; Y190-I212 HydrophobicContact CG-CG1 4.42Å; Y190-I212 HydrophobicContact CG-CG2 4.08Å; V194-I212 HydrophobicContact CG2-CG2 4.43Å; A200-I212 HydrophobicContact CB-CD1 3.49Å; A200-I212 VanDerWaalsContact CB-CD1 3.49Å; L208-I212 HydrophobicContact CD1-CD1 4.21Å; L208-I212 HydrophobicContact CD1-CG1 4.46Å; L208-I212 HydrophobicContact CG-CD1 3.93Å; L208-I212 WeakPolarHBondContact O-CD1 3.41Å; L208-I212 VanDerWaalsContact O-CG1 3.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.39Å; L208-I212 PolarHBondContact O-N 3.15Å; K209-I212 PolarHBondContact O-N 3.23Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 2.9Å; I212-S214 VanDerWaalsContact C-N 3.31Å
213V92.3Very high92.5Very high76 Ų7674.9 Ų74.946%0.46135%0.352SS..Hα-helixtrans-82.4-8.4-178-55.70000113.5K209 E210 R218K209-V213 WeakPolarHBondContact O-CG2 3.25Å; K209-V213 PolarHBondContact O-N 2.82Å; E210-V213 PolarHBondContact O-N 2.76Å; V213-R218 PolarHBondContact O-NH1 3.02Å
214S94.1Very high93.1Very high44 Ų4465.2 Ų65.231%0.30831%0.31SS..SBendtrans-60.9162.4174.475.20000112.1E210 R211 I212 E216 G217 R218E210-S214 WeakPolarHBondContact O-CB 3.4Å; E210-S214 PolarHBondContact O-N 3.1Å; R211-S214 WeakPolarHBondContact O-CB 3.49Å; R211-S214 PolarHBondContact O-OG 3.39Å; I212-S214 VanDerWaalsContact C-N 3.31Å; S214-E216 VanDerWaalsContact C-N 3.27Å; S214-E216 PolarHBondContact O-N 3.43Å; S214-G217 PolarHBondContact O-N 3.32Å; S214-G217 PolarHBondContact OG-N 2.93Å; S214-R218 PolarHBondContact O-N 3.31Å
215E94.3Very high93.5Very high118 Ų11865.8 Ų65.855%0.55130%0.3SS*.Hα-helixtrans-57.9-42.2174.8-168.1-168.514800111.8R218 K219E215-R218 PolarHBondContact O-N 3.32Å; E215-K219 WeakPolarHBondContact O-CG 3.41Å; E215-K219 PolarHBondContact O-N 3.09Å; E215-K219 WeakPolarHBondContact OE1-CE 3.39Å; E215-K219 IonicContact OE1-NZ 2.98Å; E215-K219 PolarHBondContact OE1-NZ 3.38Å
216E93.1Very high93.8Very high96 Ų9668.8 Ų68.845%0.44932%0.319SS..Hα-helixtrans-65.9-40.8177.2-176.753.2-148.500111.7S214 R218 K219 Q220S214-E216 VanDerWaalsContact C-N 3.27Å; S214-E216 PolarHBondContact O-N 3.43Å; E216-R218 VanDerWaalsContact C-N 3.34Å; E216-R218 PolarHBondContact O-N 3.19Å; E216-K219 WeakPolarHBondContact O-CB 3.34Å; E216-K219 PolarHBondContact O-N 3.22Å; E216-Q220 WeakPolarHBondContact O-CG 3.33Å; E216-Q220 PolarHBondContact O-N 3.28Å; E216-Q220 PolarHBondContact OE1-NE2 3.4Å
217G93Very high94.1Very high2 Ų264.3 Ų64.32%0.02130%0.298CS..Hα-helixtrans-58.8-43.2173.300000112.6R211 S214 Q220 Q221R211-G217 WeakPolarHBondContact O-CA 3.44Å; S214-G217 PolarHBondContact O-N 3.32Å; S214-G217 PolarHBondContact OG-N 2.93Å; G217-Q220 WeakPolarHBondContact O-CB 3.25Å; G217-Q220 PolarHBondContact O-N 2.57Å; G217-Q221 WeakPolarHBondContact O-CG 3.43Å; G217-Q221 PolarHBondContact O-N 2.81Å
218R92.4Very high94.2Very high145 Ų14561 Ų6155%0.54729%0.291SS..Hα-helixtrans-64.6-41.3174.4-70.6-170.5-71.1-102.20.1112.5V213 S214 E215 E216 Q220 Q221 N222V213-R218 PolarHBondContact O-NH1 3.02Å; S214-R218 PolarHBondContact O-N 3.31Å; E215-R218 PolarHBondContact O-N 3.32Å; E216-R218 VanDerWaalsContact C-N 3.34Å; E216-R218 PolarHBondContact O-N 3.19Å; R218-Q220 VanDerWaalsContact C-N 3.3Å; R218-Q220 PolarHBondContact O-N 2.75Å; R218-Q221 PolarHBondContact O-N 2.87Å; R218-N222 PolarHBondContact O-N 3.09Å
219K94.6Very high94.4Very high95 Ų9564.6 Ų64.641%0.41331%0.314SS..Hα-helixtrans-59.5-41.7173.5-73.5173.9-176166.60111.3E215 E216 N222 K223E215-K219 WeakPolarHBondContact O-CG 3.41Å; E215-K219 PolarHBondContact O-N 3.09Å; E215-K219 WeakPolarHBondContact OE1-CE 3.39Å; E215-K219 IonicContact OE1-NZ 2.98Å; E215-K219 PolarHBondContact OE1-NZ 3.38Å; E216-K219 WeakPolarHBondContact O-CB 3.34Å; E216-K219 PolarHBondContact O-N 3.22Å; K219-N222 PolarHBondContact O-N 3.35Å; K219-K223 PolarHBondContact O-N 2.89Å; K219-K223 VanDerWaalsContact O-N 3.11Å
220Q95.1Very high94.6Very high14 Ų1460.4 Ų60.47%0.06530%0.296CS..Hα-helixtrans-62.1-45174.4-69.817213.400111.4F155 E216 G217 R218 N222 K223 L224F155-Q220 HydrophobicContact CD1-CB 4.46Å; F155-Q220 HydrophobicContact CD1-CG 3.81Å; F155-Q220 HydrophobicContact CD2-CB 4.25Å; F155-Q220 HydrophobicContact CD2-CG 4.01Å; F155-Q220 HydrophobicContact CE1-CB 4.09Å; F155-Q220 HydrophobicContact CE1-CG 3.89Å; F155-Q220 HydrophobicContact CE2-CB 3.85Å; F155-Q220 HydrophobicContact CE2-CG 4.08Å; F155-Q220 HydrophobicContact CG-CG 3.87Å; F155-Q220 HydrophobicContact CZ-CB 3.76Å; F155-Q220 HydrophobicContact CZ-CG 4.03Å; E216-Q220 WeakPolarHBondContact O-CG 3.33Å; E216-Q220 PolarHBondContact O-N 3.28Å; E216-Q220 PolarHBondContact OE1-NE2 3.4Å; G217-Q220 WeakPolarHBondContact O-CB 3.25Å; G217-Q220 PolarHBondContact O-N 2.57Å; R218-Q220 VanDerWaalsContact C-N 3.3Å; R218-Q220 PolarHBondContact O-N 2.75Å; Q220-N222 VanDerWaalsContact C-N 3.33Å; Q220-N222 PolarHBondContact O-N 2.94Å; Q220-K223 PolarHBondContact O-N 3.27Å; Q220-L224 WeakPolarHBondContact O-CG 3.16Å; Q220-L224 PolarHBondContact O-N 3.22Å
221Q93.7Very high94.7Very high17 Ų1755.4 Ų55.48%0.07927%0.273CS..Hα-helixtrans-60.5-38.9176.3-67.9-56.9-5100112.9I185 G217 R218 L224 K225I185-Q221 PolarHBondContact O-NE2 3.04Å; G217-Q221 WeakPolarHBondContact O-CG 3.43Å; G217-Q221 PolarHBondContact O-N 2.81Å; R218-Q221 PolarHBondContact O-N 2.87Å; Q221-L224 WeakPolarHBondContact O-CB 3.41Å; Q221-L224 PolarHBondContact O-N 3.19Å; Q221-K225 PolarHBondContact O-N 2.89Å; Q221-K225 VanDerWaalsContact O-N 3.15Å
222N94.8Very high94.7Very high87 Ų8758.9 Ų58.947%0.46529%0.293SS..Hα-helixtrans-63.7-44.7175.1-71.1-18.1000111.7R218 K219 Q220 L224 K225 D226R218-N222 PolarHBondContact O-N 3.09Å; K219-N222 PolarHBondContact O-N 3.35Å; Q220-N222 VanDerWaalsContact C-N 3.33Å; Q220-N222 PolarHBondContact O-N 2.94Å; N222-L224 PolarHBondContact O-N 2.9Å; N222-K225 WeakPolarHBondContact O-CB 3.35Å; N222-K225 PolarHBondContact O-N 2.86Å; N222-D226 PolarHBondContact O-N 2.8Å; N222-D226 VanDerWaalsContact O-N 3.14Å
223K96.6Very high94.8Very high49 Ų4965 Ų6521%0.21332%0.315CS..Hα-helixtrans-59.9-34.2174.1-70.3175.3175.3179.20112.6F155 K219 Q220 K225 D226 L227 I291 L292F155-K223 HydrophobicContact CE1-CB 4.28Å; F155-K223 HydrophobicContact CE1-CD 4.12Å; K219-K223 PolarHBondContact O-N 2.89Å; K219-K223 VanDerWaalsContact O-N 3.11Å; Q220-K223 PolarHBondContact O-N 3.27Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K223-D226 PolarHBondContact O-N 3.1Å; K223-L227 VanDerWaalsContact O-CG 3.28Å; K223-L227 WeakPolarHBondContact O-CG 3.41Å; K223-L227 PolarHBondContact O-N 3.37Å; K223-I291 HydrophobicContact CB-CG2 4.2Å; K223-I291 HydrophobicContact CG-CG2 4.45Å; K223-L292 PolarHBondContact NZ-O 3.01Å
224L96.6Very high94.9Very high3 Ų362 Ų622%0.01630%0.297CS..Hα-helixtrans-66.7-34.1175.2-65.8173.4000112.4F155 I185 I186 Q220 Q221 N222 D226 L227 S228 L238F155-L224 HydrophobicContact CE2-CD2 3.99Å; F155-L224 HydrophobicContact CE2-CG 4.28Å; F155-L224 HydrophobicContact CZ-CD2 3.86Å; F155-L224 HydrophobicContact CZ-CG 4.03Å; I185-L224 HydrophobicContact CG2-CD1 4.48Å; I185-L224 WeakPolarHBondContact O-CD1 3.12Å; I186-L224 HydrophobicContact CB-CD2 4.22Å; I186-L224 HydrophobicContact CG1-CD2 4.23Å; I186-L224 HydrophobicContact CG2-CD2 3.97Å; Q220-L224 WeakPolarHBondContact O-CG 3.16Å; Q220-L224 PolarHBondContact O-N 3.22Å; Q221-L224 WeakPolarHBondContact O-CB 3.41Å; Q221-L224 PolarHBondContact O-N 3.19Å; N222-L224 PolarHBondContact O-N 2.9Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-L227 HydrophobicContact CD2-CD1 4.22Å; L224-L227 PolarHBondContact O-N 3.22Å; L224-S228 PolarHBondContact O-N 3.18Å; L224-S228 VanDerWaalsContact O-N 3.16Å; L224-S228 PolarHBondContact O-OG 3.01Å; L224-L238 HydrophobicContact CB-CD2 3.92Å; L224-L238 HydrophobicContact CD2-CD2 3.9Å; L224-L238 HydrophobicContact CG-CD2 4.37Å
225K95.6Very high94.8Very high121 Ų12162.7 Ų62.753%0.52631%0.311SS..Hα-helixtrans-62.4-44.5170.9-64.7176.4179.91760110.4Q221 N222 K223 L227 S228 P229Q221-K225 PolarHBondContact O-N 2.89Å; Q221-K225 VanDerWaalsContact O-N 3.15Å; N222-K225 WeakPolarHBondContact O-CB 3.35Å; N222-K225 PolarHBondContact O-N 2.86Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K225-L227 VanDerWaalsContact C-N 3.26Å; K225-L227 PolarHBondContact O-N 2.94Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 3.41Å; K225-S228 VanDerWaalsContact O-N 3.11Å; K225-P229 WeakPolarHBondContact O-CD 3.25Å
226D96.8Very high94.8Very high95 Ų9557.8 Ų57.851%0.50829%0.289SS..Hα-helixtrans-66.7-26.5178.2-58.7-26.9000113.1N222 K223 L224 P229 I291N222-D226 PolarHBondContact O-N 2.8Å; N222-D226 VanDerWaalsContact O-N 3.14Å; K223-D226 PolarHBondContact O-N 3.1Å; L224-D226 VanDerWaalsContact C-N 3.34Å; D226-P229 WeakPolarHBondContact O-CD 3.41Å; D226-I291 HydrophobicContact CB-CD1 4.36Å; D226-I291 HydrophobicContact CB-CG1 4.36Å; D226-I291 HydrophobicContact CB-CG2 3.73Å; D226-I291 WeakPolarHBondContact O-CD1 3Å
227L96.9Very high94.9Very high0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-79.9-18.7174.2-71.4170.7000113.7L154 K223 L224 K225 I230 A231 L238 I288 I291 L292L154-L227 HydrophobicContact CD1-CD1 3.82Å; K223-L227 VanDerWaalsContact O-CG 3.28Å; K223-L227 WeakPolarHBondContact O-CG 3.41Å; K223-L227 PolarHBondContact O-N 3.37Å; L224-L227 HydrophobicContact CD2-CD1 4.22Å; L224-L227 PolarHBondContact O-N 3.22Å; K225-L227 VanDerWaalsContact C-N 3.26Å; K225-L227 PolarHBondContact O-N 2.94Å; L227-I230 HydrophobicContact CD2-CD1 4.19Å; L227-I230 WeakPolarHBondContact O-CB 3.48Å; L227-I230 PolarHBondContact O-N 3.34Å; L227-I230 VanDerWaalsContact O-N 3.15Å; L227-A231 PolarHBondContact O-N 3.16Å; L227-L238 HydrophobicContact CB-CD1 3.85Å; L227-I288 HydrophobicContact CD2-CB 4.27Å; L227-I288 HydrophobicContact CD2-CG1 3.94Å; L227-I288 HydrophobicContact CD2-CG2 4.07Å; L227-I291 HydrophobicContact CD2-CB 4.28Å; L227-I291 HydrophobicContact CD2-CD1 3.85Å; L227-I291 HydrophobicContact CD2-CG2 4.15Å; L227-I291 HydrophobicContact CG-CD1 4.46Å; L227-I291 HydrophobicContact CG-CG2 4.02Å; L227-L292 HydrophobicContact CD1-CD2 4.09Å
228S95.3Very high95.1Very high39 Ų3956.4 Ų56.427%0.27329%0.286SS..Hα-helixtrans-62.8-42.7-175.6-60.70000112.9L224 K225 I230 A231 E232L224-S228 PolarHBondContact O-N 3.18Å; L224-S228 VanDerWaalsContact O-N 3.16Å; L224-S228 PolarHBondContact O-OG 3.01Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 3.41Å; K225-S228 VanDerWaalsContact O-N 3.11Å; S228-I230 PolarHBondContact O-N 3.48Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 3Å; S228-E232 WeakPolarHBondContact O-CG 3.4Å; S228-E232 PolarHBondContact O-N 2.98Å
229P97Very high95.3Very high75 Ų7550 Ų5049%0.48726%0.263SS..Hα-helixtrans-57.7-32.3173.2-27.135.3000114.1K225 D226 R233K225-P229 WeakPolarHBondContact O-CD 3.25Å; D226-P229 WeakPolarHBondContact O-CD 3.41Å; P229-R233 VanDerWaalsContact O-CB 3.28Å; P229-R233 WeakPolarHBondContact O-CB 3.42Å; P229-R233 PolarHBondContact O-N 3.32Å
230I95.7Very high95.4Very high1 Ų146.8 Ų46.81%0.00525%0.25CC..Hα-helixtrans-68-46.4175.1-59-179.9000109.9L227 S228 E232 R233 L234 L241 V284 E287 I288 I291L227-I230 HydrophobicContact CD2-CD1 4.19Å; L227-I230 WeakPolarHBondContact O-CB 3.48Å; L227-I230 PolarHBondContact O-N 3.34Å; L227-I230 VanDerWaalsContact O-N 3.15Å; S228-I230 PolarHBondContact O-N 3.48Å; I230-E232 PolarHBondContact O-N 3Å; I230-R233 PolarHBondContact O-N 3.43Å; I230-L234 HydrophobicContact CG2-CD1 3.82Å; I230-L234 HydrophobicContact CG2-CG 4.45Å; I230-L234 WeakPolarHBondContact O-CB 3.17Å; I230-L234 VanDerWaalsContact O-CG 3.23Å; I230-L234 WeakPolarHBondContact O-CG 3.41Å; I230-L234 PolarHBondContact O-N 3.22Å; I230-L241 HydrophobicContact CB-CD2 4.42Å; I230-L241 HydrophobicContact CG2-CD1 4.46Å; I230-L241 HydrophobicContact CG2-CD2 4.2Å; I230-V284 HydrophobicContact CG2-CG1 4.08Å; I230-E287 HydrophobicContact CD1-CB 4.11Å; I230-E287 HydrophobicContact CD1-CG 3.7Å; I230-E287 WeakPolarHBondContact CD1-OE1 3.48Å; I230-E287 HydrophobicContact CG1-CG 4.45Å; I230-E287 VanDerWaalsContact CG1-OE1 3.3Å; I230-E287 WeakPolarHBondContact CG1-OE1 3.19Å; I230-I288 HydrophobicContact CD1-CG1 3.97Å; I230-I291 HydrophobicContact CD1-CD1 3.61Å
231A94.8Very high95.4Very high4 Ų446.2 Ų46.23%0.03325%0.247CC..Hα-helixtrans-60.2-45.5178.400000111.5L227 S228 L234 G235 C236 L241L227-A231 PolarHBondContact O-N 3.16Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 3Å; A231-L234 CarbonylContact O-C 3.31Å; A231-L234 PolarHBondContact O-N 2.67Å; A231-G235 PolarHBondContact O-N 2.79Å; A231-C236 CarbonylContact C-O 3.6Å; A231-C236 WeakPolarHBondContact CB-O 3.49Å; A231-C236 PolarHBondContact O-N 3.44Å; A231-C236 VanDerWaalsContact O-O 3.08Å; A231-C236 PolarHBondContact O-SG 2.93Å; A231-L241 HydrophobicContact CB-CB 4.4Å; A231-L241 HydrophobicContact CB-CD2 4.11Å
232E94.4Very high95.6Very high147 Ų14745.4 Ų45.469%0.68724%0.244SC*.Hα-helixtrans-59.8-49.5176.1-71.9173.1-170.200112S228 I230 L234 G235S228-E232 WeakPolarHBondContact O-CG 3.4Å; S228-E232 PolarHBondContact O-N 2.98Å; I230-E232 PolarHBondContact O-N 3Å; E232-L234 PolarHBondContact O-N 3.38Å; E232-G235 WeakPolarHBondContact O-CA 3.31Å; E232-G235 PolarHBondContact O-N 2.86Å
233R94.4Very high95.7Very high137 Ų13741.3 Ų41.352%0.51722%0.221SC..Hα-helixtrans-59.7-32.9177.3-179.517354.1147.7-0.4112.5P229 I230 G235 E287P229-R233 VanDerWaalsContact O-CB 3.28Å; P229-R233 WeakPolarHBondContact O-CB 3.42Å; P229-R233 PolarHBondContact O-N 3.32Å; I230-R233 PolarHBondContact O-N 3.43Å; R233-G235 VanDerWaalsContact C-N 3.3Å; R233-E287 IonicContact CZ-OE2 3.17Å; R233-E287 IonicContact NH1-OE2 2.83Å; R233-E287 VanDerWaalsContact NH2-CD 3.25Å; R233-E287 IonicContact NH2-OE1 2.72Å; R233-E287 PolarHBondContact NH2-OE1 3.39Å; R233-E287 IonicContact NH2-OE2 3.58Å; R233-E287 PolarHBondContact NH2-OE2 3Å
234L92.8Very high95.7Very high14 Ų1439 Ų397%0.07321%0.211CC..Hα-helixtrans-83.3-7.2177-64.1174.8000113.2I230 A231 E232 L241 K279 V284I230-L234 HydrophobicContact CG2-CD1 3.82Å; I230-L234 HydrophobicContact CG2-CG 4.45Å; I230-L234 WeakPolarHBondContact O-CB 3.17Å; I230-L234 VanDerWaalsContact O-CG 3.23Å; I230-L234 WeakPolarHBondContact O-CG 3.41Å; I230-L234 PolarHBondContact O-N 3.22Å; A231-L234 CarbonylContact O-C 3.31Å; A231-L234 PolarHBondContact O-N 2.67Å; E232-L234 PolarHBondContact O-N 3.38Å; L234-L241 HydrophobicContact CD1-CD1 3.67Å; L234-K279 HydrophobicContact CD2-CB 3.86Å; L234-K279 HydrophobicContact CD2-CD 4.07Å; L234-K279 PolarHBondContact O-NZ 2.96Å; L234-V284 HydrophobicContact CD1-CG1 3.92Å; L234-V284 HydrophobicContact CD2-CG2 4.32Å
235G93.1Very high95.7Very high58 Ų5838.8 Ų38.860%0.59821%0.211SC*.THydrogen-bonded Turntrans69.140.7-17900000112.4A231 E232 R233A231-G235 PolarHBondContact O-N 2.79Å; E232-G235 WeakPolarHBondContact O-CA 3.31Å; E232-G235 PolarHBondContact O-N 2.86Å; R233-G235 VanDerWaalsContact C-N 3.3Å
236C94.9Very high95.8Very high15 Ų1533 Ų3310%0.10119%0.185CC..SBendtrans-141165.6-177.669.40000112.2A231 Q240 V276A231-C236 CarbonylContact C-O 3.6Å; A231-C236 WeakPolarHBondContact CB-O 3.49Å; A231-C236 PolarHBondContact O-N 3.44Å; A231-C236 VanDerWaalsContact O-O 3.08Å; A231-C236 PolarHBondContact O-SG 2.93Å; C236-Q240 HydrophobicContact CB-CB 4.08Å; C236-V276 HydrophobicContact CB-CG1 4.4Å; C236-V276 HydrophobicContact CB-CG2 3.35Å
237T95.6Very high95.8Very high51 Ų5128.6 Ų28.631%0.31316%0.162SC..  trans-81.2160.5173.7730000111.3P239 Q240 L241 E267T237-P239 WeakPolarHBondContact OG1-CD 3.41Å; T237-Q240 WeakPolarHBondContact O-CB 3.45Å; T237-Q240 PolarHBondContact O-N 3.47Å; T237-Q240 VanDerWaalsContact O-N 3.12Å; T237-Q240 VanDerWaalsContact OG1-CG 3.3Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.35Å; T237-Q240 PolarHBondContact OG1-N 3.01Å; T237-L241 PolarHBondContact O-N 3.37Å; T237-E267 WeakPolarHBondContact CB-OE1 3.11Å; T237-E267 HydrophobicContact CG2-CG 4.16Å; T237-E267 WeakPolarHBondContact CG2-OE1 3.36Å; T237-E267 PolarHBondContact OG1-OE1 2.94Å
238L95.7Very high95.6Very high17 Ų1731.4 Ų31.49%0.08917%0.172CC..Hα-helixtrans-61.1-39.3176.2-170.560.4000113I186 L224 L227 Q240 L241 A242I186-L238 HydrophobicContact CG2-CG 4.5Å; I186-L238 WeakPolarHBondContact O-CD2 3.32Å; I186-L238 VanDerWaalsContact O-CG 3.26Å; I186-L238 WeakPolarHBondContact O-CG 3.24Å; L224-L238 HydrophobicContact CB-CD2 3.92Å; L224-L238 HydrophobicContact CD2-CD2 3.9Å; L224-L238 HydrophobicContact CG-CD2 4.37Å; L227-L238 HydrophobicContact CB-CD1 3.85Å; L238-Q240 PolarHBondContact O-N 3.33Å; L238-L241 HydrophobicContact CD1-CD2 4.17Å; L238-L241 PolarHBondContact O-N 2.89Å; L238-A242 WeakPolarHBondContact O-CB 3.48Å; L238-A242 PolarHBondContact O-N 3.3Å
239P96.8Very high95.4Very high10 Ų1031.2 Ų31.27%0.06517%0.168CC..Hα-helixtrans-56.4-45.2167.9-30.238.1000114.2L181 T237 A242 V243 E267L181-P239 HydrophobicContact CD1-CB 3.95Å; L181-P239 HydrophobicContact CD2-CB 4.01Å; T237-P239 WeakPolarHBondContact OG1-CD 3.41Å; P239-A242 PolarHBondContact O-N 3.38Å; P239-V243 WeakPolarHBondContact O-CG2 3.46Å; P239-V243 PolarHBondContact O-N 2.95Å; P239-E267 WeakPolarHBondContact CB-OE1 3.45Å; P239-E267 VanDerWaalsContact CG-OE1 3.26Å; P239-E267 WeakPolarHBondContact CG-OE1 3.2Å
240Q96.5Very high95Very high29 Ų2935.7 Ų35.714%0.13618%0.182CC..Hα-helixtrans-62.7-44.4177.6-73.4172.9-17.100111.8C236 T237 L238 A242 V243 A244 E267 A271 V276C236-Q240 HydrophobicContact CB-CB 4.08Å; T237-Q240 WeakPolarHBondContact O-CB 3.45Å; T237-Q240 PolarHBondContact O-N 3.47Å; T237-Q240 VanDerWaalsContact O-N 3.12Å; T237-Q240 VanDerWaalsContact OG1-CG 3.3Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.35Å; T237-Q240 PolarHBondContact OG1-N 3.01Å; L238-Q240 PolarHBondContact O-N 3.33Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.3Å; Q240-V243 PolarHBondContact O-N 3Å; Q240-A244 VanDerWaalsContact O-CB 3.23Å; Q240-A244 WeakPolarHBondContact O-CB 3.48Å; Q240-A244 PolarHBondContact O-N 3.37Å; Q240-E267 HydrophobicContact CG-CG 4.25Å; Q240-E267 WeakPolarHBondContact CG-O 3.42Å; Q240-E267 PolarHBondContact NE2-O 3.01Å; Q240-A271 HydrophobicContact CB-CB 4.35Å; Q240-A271 WeakPolarHBondContact O-CB 3.47Å; Q240-V276 HydrophobicContact CB-CG2 4.34Å
241L96.6Very high94.8Very high2 Ų237 Ų371%0.0120%0.196CC..Hα-helixtrans-56.9-47.4175.2-176.168000111.2I230 A231 L234 T237 L238 A244 W245 V276 M280 I288I230-L241 HydrophobicContact CB-CD2 4.42Å; I230-L241 HydrophobicContact CG2-CD1 4.46Å; I230-L241 HydrophobicContact CG2-CD2 4.2Å; A231-L241 HydrophobicContact CB-CB 4.4Å; A231-L241 HydrophobicContact CB-CD2 4.11Å; L234-L241 HydrophobicContact CD1-CD1 3.67Å; T237-L241 PolarHBondContact O-N 3.37Å; L238-L241 HydrophobicContact CD1-CD2 4.17Å; L238-L241 PolarHBondContact O-N 2.89Å; L241-A244 PolarHBondContact O-N 2.91Å; L241-W245 WeakPolarHBondContact O-CB 3.5Å; L241-W245 PolarHBondContact O-N 3.2Å; L241-V276 HydrophobicContact CD1-CG1 4.4Å; L241-M280 HydrophobicContact CD1-CE 3.72Å; L241-I288 HydrophobicContact CD1-CD1 4.35Å; L241-I288 HydrophobicContact CD2-CD1 4.5Å
242A97.3Very high94.9Very high0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-67.1-42.8-177.500000113.2L154 L181 I186 L238 P239 Q240 W245 C246L154-A242 HydrophobicContact CD1-CB 4.09Å; L154-A242 HydrophobicContact CG-CB 4.47Å; L181-A242 HydrophobicContact CD2-CB 3.84Å; I186-A242 HydrophobicContact CG2-CB 3.41Å; I186-A242 VanDerWaalsContact CG2-CB 3.41Å; L238-A242 WeakPolarHBondContact O-CB 3.48Å; L238-A242 PolarHBondContact O-N 3.3Å; P239-A242 PolarHBondContact O-N 3.38Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.3Å; A242-W245 PolarHBondContact O-N 3.02Å; A242-C246 PolarHBondContact O-N 3.04Å; A242-C246 PolarHBondContact O-SG 3.28Å
243V97.1Very high95.1Very high0 Ų030.1 Ų30.10%017%0.165CC..Hα-helixtrans-66-45.1176.2172.60000110.5L16 P180 L181 P239 Q240 W245 C246 L247 L257 A271L16-V243 HydrophobicContact CD2-CG1 3.64Å; P180-V243 HydrophobicContact CB-CG2 4.25Å; P180-V243 HydrophobicContact CG-CG2 4.37Å; L181-V243 HydrophobicContact CD2-CG2 4.14Å; P239-V243 WeakPolarHBondContact O-CG2 3.46Å; P239-V243 PolarHBondContact O-N 2.95Å; Q240-V243 PolarHBondContact O-N 3Å; V243-W245 VanDerWaalsContact C-N 3.32Å; V243-W245 PolarHBondContact O-N 3.32Å; V243-C246 WeakPolarHBondContact O-CB 3.27Å; V243-C246 PolarHBondContact O-N 3.19Å; V243-L247 HydrophobicContact CG1-CD1 4.49Å; V243-L247 PolarHBondContact O-N 3.4Å; V243-L247 VanDerWaalsContact O-N 3.11Å; V243-L257 HydrophobicContact CG1-CD2 4.15Å; V243-L257 HydrophobicContact CG2-CD2 3.94Å; V243-A271 HydrophobicContact CB-CB 3.69Å; V243-A271 HydrophobicContact CG1-CB 3.58Å
244A96.3Very high95.3Very high0 Ų023.6 Ų23.60%014%0.14CC..Hα-helixtrans-62.3-40.2175.800000111.6Q240 L241 C246 L247 R248 A271 V276 L277 M280Q240-A244 VanDerWaalsContact O-CB 3.23Å; Q240-A244 WeakPolarHBondContact O-CB 3.48Å; Q240-A244 PolarHBondContact O-N 3.37Å; L241-A244 PolarHBondContact O-N 2.91Å; A244-C246 VanDerWaalsContact C-N 3.32Å; A244-C246 PolarHBondContact O-N 3.26Å; A244-L247 CarbonylContact O-C 3.56Å; A244-L247 PolarHBondContact O-N 3.4Å; A244-L247 VanDerWaalsContact O-N 3.13Å; A244-R248 PolarHBondContact O-N 2.69Å; A244-A271 HydrophobicContact CB-CB 4.4Å; A244-V276 HydrophobicContact CB-CB 3.93Å; A244-V276 HydrophobicContact CB-CG1 3.53Å; A244-L277 HydrophobicContact CB-CB 4.37Å; A244-L277 WeakPolarHBondContact O-CD1 3.41Å; A244-M280 HydrophobicContact CB-CE 4.25Å
245W97.2Very high95.5Very high0 Ų023 Ų230%014%0.136CC..Hα-helixtrans-59.8-42174.7179.295.8000111.2Y152 L154 R157 E161 L241 A242 V243 L247 R248 M280Y152-W245 HydrophobicContact CD2-CZ3 4.44Å; Y152-W245 AromaticContact CE1-CZ3 3.9Å; Y152-W245 HydrophobicContact CE1-CZ3 3.9Å; Y152-W245 AromaticContact CE2-CH2 3.77Å; Y152-W245 HydrophobicContact CE2-CH2 3.77Å; Y152-W245 AromaticContact CE2-CZ3 3.72Å; Y152-W245 HydrophobicContact CE2-CZ3 3.72Å; Y152-W245 AromaticContact CZ-CH2 3.65Å; Y152-W245 AromaticContact CZ-CZ3 3.41Å; Y152-W245 VanDerWaalsContact CZ-CZ3 3.41Å; Y152-W245 VanDerWaalsContact OH-CH2 3.3Å; Y152-W245 WeakPolarHBondContact OH-CH2 3.15Å; Y152-W245 WeakPolarHBondContact OH-CZ3 3.46Å; L154-W245 HydrophobicContact CD2-CB 4.27Å; L154-W245 HydrophobicContact CD2-CD2 3.4Å; L154-W245 VanDerWaalsContact CD2-CD2 3.4Å; L154-W245 HydrophobicContact CD2-CE3 3.73Å; L154-W245 HydrophobicContact CD2-CG 3.67Å; L154-W245 HydrophobicContact CD2-CZ2 4.25Å; L154-W245 HydrophobicContact CD2-CZ3 4.32Å; L154-W245 HydrophobicContact CG-CE3 4.46Å; R157-W245 HydrophobicContact CG-CH2 3.88Å; E161-W245 WeakPolarHBondContact OE1-CH2 3.24Å; L241-W245 WeakPolarHBondContact O-CB 3.5Å; L241-W245 PolarHBondContact O-N 3.2Å; A242-W245 PolarHBondContact O-N 3.02Å; V243-W245 VanDerWaalsContact C-N 3.32Å; V243-W245 PolarHBondContact O-N 3.32Å; W245-L247 VanDerWaalsContact C-N 3.3Å; W245-L247 PolarHBondContact O-N 3.42Å; W245-R248 VanDerWaalsContact CZ2-CZ 3.42Å; W245-R248 VanDerWaalsContact NE1-CZ 3.33Å; W245-R248 WeakPolarHBondContact O-CB 3.13Å; W245-R248 VanDerWaalsContact O-CD 3.29Å; W245-R248 WeakPolarHBondContact O-CD 3.34Å; W245-R248 WeakPolarHBondContact O-CG 3.38Å; W245-R248 PolarHBondContact O-N 3.27Å; W245-R248 PolarHBondContact O-NH1 2.72Å; W245-M280 HydrophobicContact CB-CE 3.96Å
246C97.4Very high95.8Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-62-39.3175.3-65.40000111.9Y152 A242 V243 A244 R248 V255Y152-C246 HydrophobicContact CD1-CB 3.96Å; Y152-C246 HydrophobicContact CE1-CB 4.08Å; A242-C246 PolarHBondContact O-N 3.04Å; A242-C246 PolarHBondContact O-SG 3.28Å; V243-C246 WeakPolarHBondContact O-CB 3.27Å; V243-C246 PolarHBondContact O-N 3.19Å; A244-C246 VanDerWaalsContact C-N 3.32Å; A244-C246 PolarHBondContact O-N 3.26Å; C246-R248 VanDerWaalsContact C-N 3.33Å; C246-R248 PolarHBondContact O-N 2.98Å; C246-V255 HydrophobicContact CB-CG2 3.84Å
247L95.7Very high96Very high1 Ų120 Ų201%0.00511%0.106CC..Hα-helixtrans-78.2-11.6-179.2-72.8178.6000115.4C15 L16 V243 A244 W245 N249 V255 I272 L277C15-L247 HydrophobicContact CB-CD2 4.1Å; C15-L247 VanDerWaalsContact O-CD2 3.29Å; C15-L247 WeakPolarHBondContact O-CD2 3.28Å; L16-L247 HydrophobicContact CD2-CD1 3.72Å; L16-L247 HydrophobicContact CD2-CG 4.49Å; L16-L247 HydrophobicContact CG-CD1 4.15Å; V243-L247 HydrophobicContact CG1-CD1 4.49Å; V243-L247 PolarHBondContact O-N 3.4Å; V243-L247 VanDerWaalsContact O-N 3.11Å; A244-L247 CarbonylContact O-C 3.56Å; A244-L247 PolarHBondContact O-N 3.4Å; A244-L247 VanDerWaalsContact O-N 3.13Å; W245-L247 VanDerWaalsContact C-N 3.3Å; W245-L247 PolarHBondContact O-N 3.42Å; L247-N249 PolarHBondContact O-N 2.88Å; L247-V255 HydrophobicContact CD2-CB 4.31Å; L247-V255 HydrophobicContact CD2-CG2 3.64Å; L247-V255 HydrophobicContact CG-CG2 4.01Å; L247-I272 HydrophobicContact CD1-CG2 3.38Å; L247-L277 HydrophobicContact CB-CD1 4.1Å; L247-L277 HydrophobicContact CB-CD2 4.34Å
248R93.9Very high96Very high59 Ų5919.4 Ų19.422%0.22311%0.109CC..THydrogen-bonded Turntrans-59.2-30.217492.6-167.8-179.3-701.2111.5Y152 E161 A244 W245 C246 E250 L277 M280Y152-R248 PolarHBondContact OH-NH1 3.26Å; E161-R248 IonicContact OE1-NH2 2.89Å; E161-R248 PolarHBondContact OE1-NH2 2.89Å; E161-R248 VanDerWaalsContact OE1-NH2 3.15Å; E161-R248 IonicContact OE2-NH2 2.65Å; A244-R248 PolarHBondContact O-N 2.69Å; W245-R248 VanDerWaalsContact CZ2-CZ 3.42Å; W245-R248 VanDerWaalsContact NE1-CZ 3.33Å; W245-R248 WeakPolarHBondContact O-CB 3.13Å; W245-R248 VanDerWaalsContact O-CD 3.29Å; W245-R248 WeakPolarHBondContact O-CD 3.34Å; W245-R248 WeakPolarHBondContact O-CG 3.38Å; W245-R248 PolarHBondContact O-N 3.27Å; W245-R248 PolarHBondContact O-NH1 2.72Å; C246-R248 VanDerWaalsContact C-N 3.33Å; C246-R248 PolarHBondContact O-N 2.98Å; R248-E250 PolarHBondContact O-N 3.08Å; R248-L277 HydrophobicContact CB-CD1 4.43Å; R248-M280 HydrophobicContact CB-CG 3.91Å
249N91.3Very high96Very high35 Ų3518.6 Ų18.619%0.18711%0.105CC..  trans-78.3113.3177.7-172.4-15000109.1R4 L247 G251 V252R4-N249 PolarHBondContact NH1-O 2.97Å; L247-N249 PolarHBondContact O-N 2.88Å; N249-G251 PolarHBondContact O-N 2.92Å; N249-G251 WeakPolarHBondContact OD1-CA 3.44Å; N249-G251 PolarHBondContact OD1-N 3.22Å; N249-V252 HydrophobicContact CB-CG2 4Å; N249-V252 WeakPolarHBondContact O-CB 3.35Å; N249-V252 PolarHBondContact O-N 3.39Å; N249-V252 VanDerWaalsContact O-N 3.09Å
250E87.2Confident95.9Very high169 Ų16919.4 Ų19.479%0.7911%0.111SC*.THydrogen-bonded Turntrans-65.8-22.8177.6-63.2-165.9153.900112.9R248 V252R248-E250 PolarHBondContact O-N 3.08Å; E250-V252 PolarHBondContact O-N 3.36Å
251G91.4Very high95.9Very high29 Ų2920.1 Ų20.130%0.29912%0.118SC..THydrogen-bonded Turntrans-68.5-15.1172.900000113.9N249N249-G251 PolarHBondContact O-N 2.92Å; N249-G251 WeakPolarHBondContact OD1-CA 3.44Å; N249-G251 PolarHBondContact OD1-N 3.22Å
252V97.2Very high96Very high0 Ų020.4 Ų20.40%012%0.12CC..EExtended strand (participates in β ladder)trans-86.5111.6172177.80000109.1R4 Y152 V160 T177 N249 E250 V255R4-V252 PolarHBondContact NH1-O 3.34Å; Y152-V252 HydrophobicContact CD1-CG2 4.16Å; Y152-V252 HydrophobicContact CE1-CG2 4.16Å; V160-V252 HydrophobicContact CG1-CG2 3.8Å; T177-V252 HydrophobicContact CG2-CG1 3.88Å; T177-V252 HydrophobicContact CG2-CG2 4Å; N249-V252 HydrophobicContact CB-CG2 4Å; N249-V252 WeakPolarHBondContact O-CB 3.35Å; N249-V252 PolarHBondContact O-N 3.39Å; N249-V252 VanDerWaalsContact O-N 3.09Å; E250-V252 PolarHBondContact O-N 3.36Å; V252-V255 HydrophobicContact CG1-CG2 3.84Å
253S98.1Very high96Very high7 Ų726 Ų265%0.04915%0.146CC..EExtended strand (participates in β ladder)trans-71.1-42.5178.7-68.90000111.7N5 G7 A175N5-S253 WeakPolarHBondContact O-CB 3.44Å; N5-S253 PolarHBondContact O-OG 3.33Å; G7-S253 PolarHBondContact N-OG 2.81Å; A175-S253 WeakPolarHBondContact O-CB 3.25Å; A175-S253 PolarHBondContact O-N 2.91Å
254S98.5Very high96Very high0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-155.3152179-168.50000112.1S14 C15 G17 L47 M176 T177S14-S254 VanDerWaalsContact O-CB 3.24Å; S14-S254 WeakPolarHBondContact O-CB 3.46Å; S14-S254 PolarHBondContact O-OG 2.93Å; C15-S254 CarbonylContact O-C 3.6Å; C15-S254 VanDerWaalsContact O-CA 3.26Å; C15-S254 WeakPolarHBondContact O-CA 3.39Å; C15-S254 PolarHBondContact O-OG 3.37Å; G17-S254 PolarHBondContact N-OG 2.92Å; L47-S254 WeakPolarHBondContact CD2-OG 3.3Å; M176-S254 CarbonylContact C-O 3.57Å; M176-S254 WeakPolarHBondContact CA-O 3.47Å; T177-S254 PolarHBondContact N-O 2.76Å
255V98.6Very high96Very high0 Ų028.3 Ų28.30%016%0.156CC..EExtended strand (participates in β ladder)trans-113.7121.7173.7173.10000109.2C15 L16 G17 T177 P180 C246 L247 V252 L257C15-V255 PolarHBondContact O-N 2.89Å; L16-V255 WeakPolarHBondContact CA-O 3.38Å; L16-V255 HydrophobicContact CD2-CB 4.14Å; G17-V255 PolarHBondContact N-O 3.33Å; T177-V255 WeakPolarHBondContact OG1-CG2 3.2Å; P180-V255 HydrophobicContact CB-CG1 3.56Å; P180-V255 HydrophobicContact CG-CG1 3.56Å; C246-V255 HydrophobicContact CB-CG2 3.84Å; L247-V255 HydrophobicContact CD2-CB 4.31Å; L247-V255 HydrophobicContact CD2-CG2 3.64Å; L247-V255 HydrophobicContact CG-CG2 4.01Å; V252-V255 HydrophobicContact CG1-CG2 3.84Å; V255-L257 PolarHBondContact O-N 3.17Å
256L98.7Very high96Very high8 Ų833 Ų334%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-79114.2176.4-63.7176.5000110.5L47 D49 M176 T177 W178 P180L47-L256 HydrophobicContact CD2-CD2 3.82Å; L47-L256 HydrophobicContact CG-CD2 4.15Å; D49-L256 HydrophobicContact CB-CD1 3.81Å; D49-L256 HydrophobicContact CB-CD2 3.77Å; D49-L256 HydrophobicContact CB-CG 4.43Å; M176-L256 HydrophobicContact CG-CD1 4.14Å; M176-L256 HydrophobicContact CG-CD2 4.4Å; M176-L256 HydrophobicContact CG-CG 4.02Å; M176-L256 HydrophobicContact SD-CD1 3.98Å; M176-L256 HydrophobicContact SD-CD2 4.13Å; M176-L256 HydrophobicContact SD-CG 4.19Å; T177-L256 WeakPolarHBondContact O-CB 3.2Å; T177-L256 PolarHBondContact O-N 3.16Å; W178-L256 HydrophobicContact CB-CB 4.48Å; W178-L256 HydrophobicContact CB-CD1 4.47Å; P180-L256 WeakPolarHBondContact CD-O 3.25Å
257L98.3Very high95.9Very high4 Ų435.9 Ų35.92%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-81.6150.4174.6-59.5-179.5000111L16 G17 G19 P180 V243 V255 L265 N268 L269L16-L257 HydrophobicContact CB-CD1 4.33Å; L16-L257 HydrophobicContact CD1-CD1 4.17Å; L16-L257 HydrophobicContact CD2-CD1 4.34Å; L16-L257 HydrophobicContact CD2-CD2 4.14Å; L16-L257 HydrophobicContact CD2-CG 4.24Å; G17-L257 WeakPolarHBondContact O-CB 3.28Å; G17-L257 PolarHBondContact O-N 3.37Å; G19-L257 PolarHBondContact N-O 3.18Å; P180-L257 HydrophobicContact CG-CD2 4.16Å; V243-L257 HydrophobicContact CG1-CD2 4.15Å; V243-L257 HydrophobicContact CG2-CD2 3.94Å; V255-L257 PolarHBondContact O-N 3.17Å; L257-L265 HydrophobicContact CD1-CD1 4.12Å; L257-N268 HydrophobicContact CD1-CB 3.85Å; L257-N268 HydrophobicContact CD2-CB 4.16Å; L257-L269 HydrophobicContact CD1-CD2 4.43Å
258G96.3Very high95.9Very high37 Ų3736 Ų3638%0.38120%0.195SC..  trans-131.1124.5166.300000109.4
259S95.6Very high96Very high1 Ų133.6 Ų33.61%0.00719%0.186CC..  trans-133.9135.9-178-63.90000110T23 L36 L265 N268T23-S259 WeakPolarHBondContact CG2-O 3.4Å; L36-S259 WeakPolarHBondContact CD1-O 3.47Å; S259-L265 WeakPolarHBondContact OG-CA 3.17Å; S259-L265 PolarHBondContact OG-N 3.2Å; S259-N268 PolarHBondContact OG-ND2 3.11Å
260S95.1Very high96Very high27 Ų2732.2 Ų32.219%0.18918%0.18CC..SBendtrans-95.5-10.4174.664.80000112.7I28 Q264I28-S260 VanDerWaalsContact CG2-O 3.31Å; I28-S260 WeakPolarHBondContact CG2-O 3.35Å; S260-Q264 PolarHBondContact OG-NE2 2.92Å; S260-Q264 PolarHBondContact OG-OE1 3.49Å
261T96.8Very high96.1Very high44 Ų4424.1 Ų24.127%0.2714%0.142SC..SBendtrans-140.3154.9176.683.30000111.5L36 E263 Q264 L265L36-T261 WeakPolarHBondContact CD2-O 3.39Å; T261-E263 VanDerWaalsContact C-N 3.26Å; T261-E263 WeakPolarHBondContact CB-OE2 3.43Å; T261-E263 PolarHBondContact O-N 3.25Å; T261-E263 PolarHBondContact OG1-OE2 3.15Å; T261-Q264 PolarHBondContact O-N 2.93Å; T261-Q264 PolarHBondContact OG1-N 2.76Å; T261-L265 PolarHBondContact O-N 3.31Å
262P97.8Very high95.7Very high8 Ų824.5 Ų24.55%0.05214%0.137CC..Hα-helixtrans-54.4-39175-29.238.4000114I39 Q264 L265 I266I39-P262 HydrophobicContact CD1-CB 3.74Å; P262-Q264 PolarHBondContact O-N 2.99Å; P262-L265 PolarHBondContact O-N 2.72Å; P262-L265 VanDerWaalsContact O-N 3.14Å; P262-I266 WeakPolarHBondContact O-CG1 3.5Å; P262-I266 PolarHBondContact O-N 3.34Å
263E97.2Very high94.1Very high117 Ų11730.8 Ų30.855%0.54717%0.167SC..Hα-helixtrans-64.2-43.2-176.8-57.868-142.600110.5T261 L265 I266 E267T261-E263 VanDerWaalsContact C-N 3.26Å; T261-E263 WeakPolarHBondContact CB-OE2 3.43Å; T261-E263 PolarHBondContact O-N 3.25Å; T261-E263 PolarHBondContact OG1-OE2 3.15Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 2.9Å; E263-I266 PolarHBondContact O-N 2.64Å; E263-E267 WeakPolarHBondContact O-CB 3.42Å; E263-E267 PolarHBondContact O-N 2.95Å
264Q96.7Very high92Very high47 Ų4734.9 Ų34.922%0.2220%0.2CC..Hα-helixtrans-62-39.5174.5-67.7174.80.300111.9S260 T261 P262 N268S260-Q264 PolarHBondContact OG-NE2 2.92Å; S260-Q264 PolarHBondContact OG-OE1 3.49Å; T261-Q264 PolarHBondContact O-N 2.93Å; T261-Q264 PolarHBondContact OG1-N 2.76Å; P262-Q264 PolarHBondContact O-N 2.99Å; Q264-N268 VanDerWaalsContact O-CB 3.31Å; Q264-N268 WeakPolarHBondContact O-CB 3.5Å; Q264-N268 PolarHBondContact O-N 2.55Å; Q264-N268 PolarHBondContact O-ND2 2.65Å; Q264-N268 VanDerWaalsContact O-ND2 3.09Å
265L97.5Very high90.3Very high1 Ų137.8 Ų37.81%0.00522%0.218CC..Hα-helixtrans-66.9-46177.9179.360000111.3L18 L36 I39 A40 L257 S259 T261 P262 E263 E267 N268 L269L18-L265 HydrophobicContact CD1-CD1 4.29Å; L36-L265 HydrophobicContact CB-CD2 4.16Å; L36-L265 HydrophobicContact CD2-CB 3.77Å; L36-L265 HydrophobicContact CD2-CD2 3.74Å; L36-L265 HydrophobicContact CD2-CG 4.41Å; L36-L265 WeakPolarHBondContact O-CD2 3.15Å; I39-L265 HydrophobicContact CB-CD2 4.06Å; I39-L265 HydrophobicContact CG2-CD2 3.91Å; I39-L265 HydrophobicContact CG2-CG 4.24Å; A40-L265 HydrophobicContact CB-CD2 4.24Å; L257-L265 HydrophobicContact CD1-CD1 4.12Å; S259-L265 WeakPolarHBondContact OG-CA 3.17Å; S259-L265 PolarHBondContact OG-N 3.2Å; T261-L265 PolarHBondContact O-N 3.31Å; P262-L265 PolarHBondContact O-N 2.72Å; P262-L265 VanDerWaalsContact O-N 3.14Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 2.9Å; L265-E267 VanDerWaalsContact C-N 3.33Å; L265-E267 PolarHBondContact O-N 3.39Å; L265-N268 PolarHBondContact O-N 3.44Å; L265-L269 HydrophobicContact CD1-CD1 4.11Å; L265-L269 HydrophobicContact CD1-CG 4.12Å; L265-L269 HydrophobicContact CG-CD1 3.91Å; L265-L269 HydrophobicContact CG-CG 4.38Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 3.09Å
266I96.6Very high89.2Confident99 Ų9937.8 Ų37.851%0.50822%0.218SC..Hα-helixtrans-60.9-44.7177.4-67.6165.3000110.4I39 P262 E263 N268 L269 G270I39-I266 HydrophobicContact CD1-CD1 4.36Å; I39-I266 HydrophobicContact CG2-CG1 4.01Å; P262-I266 WeakPolarHBondContact O-CG1 3.5Å; P262-I266 PolarHBondContact O-N 3.34Å; E263-I266 PolarHBondContact O-N 2.64Å; I266-N268 PolarHBondContact O-N 2.83Å; I266-L269 PolarHBondContact O-N 3.16Å; I266-G270 PolarHBondContact O-N 3.41Å
267E95.7Very high88.4Confident60 Ų6038.7 Ų38.728%0.2822%0.223SC..Hα-helixtrans-56-52.1174.3-175.4-168.1163.900111.2T237 P239 Q240 E263 L265 L269 G270T237-E267 WeakPolarHBondContact CB-OE1 3.11Å; T237-E267 HydrophobicContact CG2-CG 4.16Å; T237-E267 WeakPolarHBondContact CG2-OE1 3.36Å; T237-E267 PolarHBondContact OG1-OE1 2.94Å; P239-E267 WeakPolarHBondContact CB-OE1 3.45Å; P239-E267 VanDerWaalsContact CG-OE1 3.26Å; P239-E267 WeakPolarHBondContact CG-OE1 3.2Å; Q240-E267 HydrophobicContact CG-CG 4.25Å; Q240-E267 WeakPolarHBondContact CG-O 3.42Å; Q240-E267 PolarHBondContact NE2-O 3.01Å; E263-E267 WeakPolarHBondContact O-CB 3.42Å; E263-E267 PolarHBondContact O-N 2.95Å; L265-E267 VanDerWaalsContact C-N 3.33Å; L265-E267 PolarHBondContact O-N 3.39Å; E267-L269 PolarHBondContact O-N 3.19Å; E267-G270 WeakPolarHBondContact O-CA 3.18Å; E267-G270 PolarHBondContact O-N 2.77Å
268N95.8Very high87.8Confident4 Ų442.7 Ų42.72%0.02125%0.249CC..Hα-helixtrans-64.1-37.3-178.9-71.2-25.7000112.7L257 S259 Q264 L265 I266 G270 A271L257-N268 HydrophobicContact CD1-CB 3.85Å; L257-N268 HydrophobicContact CD2-CB 4.16Å; S259-N268 PolarHBondContact OG-ND2 3.11Å; Q264-N268 VanDerWaalsContact O-CB 3.31Å; Q264-N268 WeakPolarHBondContact O-CB 3.5Å; Q264-N268 PolarHBondContact O-N 2.55Å; Q264-N268 PolarHBondContact O-ND2 2.65Å; Q264-N268 VanDerWaalsContact O-ND2 3.09Å; L265-N268 PolarHBondContact O-N 3.44Å; I266-N268 PolarHBondContact O-N 2.83Å; N268-G270 PolarHBondContact O-N 3.03Å; N268-A271 WeakPolarHBondContact O-CB 3.21Å; N268-A271 PolarHBondContact O-N 2.76Å; N268-A271 VanDerWaalsContact O-N 3.13Å
269L95Very high87.5Confident9 Ų945 Ų455%0.04725%0.249CC..Hα-helixtrans-65.4-27.1173.2-71.1168.8000111.7M1 L16 I39 V45 L257 L265 I266 E267 A271 I272M1-L269 HydrophobicContact CE-CD2 4.31Å; L16-L269 HydrophobicContact CD1-CD2 3.98Å; I39-L269 HydrophobicContact CG2-CD1 4Å; V45-L269 HydrophobicContact CG2-CD2 3.94Å; L257-L269 HydrophobicContact CD1-CD2 4.43Å; L265-L269 HydrophobicContact CD1-CD1 4.11Å; L265-L269 HydrophobicContact CD1-CG 4.12Å; L265-L269 HydrophobicContact CG-CD1 3.91Å; L265-L269 HydrophobicContact CG-CG 4.38Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 3.09Å; I266-L269 PolarHBondContact O-N 3.16Å; E267-L269 PolarHBondContact O-N 3.19Å; L269-A271 PolarHBondContact O-N 3.32Å; L269-I272 WeakPolarHBondContact O-CG1 3.01Å; L269-I272 PolarHBondContact O-N 2.72Å
270G92.3Very high87.2Confident5 Ų546 Ų465%0.05225%0.253CS..G310 helixtrans-60.2-19171.300000114.1I266 E267 N268 I272 Q273I266-G270 PolarHBondContact O-N 3.41Å; E267-G270 WeakPolarHBondContact O-CA 3.18Å; E267-G270 PolarHBondContact O-N 2.77Å; N268-G270 PolarHBondContact O-N 3.03Å; G270-I272 PolarHBondContact O-N 3.22Å; G270-Q273 PolarHBondContact O-N 3.34Å
271A88.6Confident87.1Confident0 Ų048.1 Ų48.10%027%0.266CS..G310 helixtrans-62-29.4177.900000113.8Q240 V243 A244 N268 L269Q240-A271 HydrophobicContact CB-CB 4.35Å; Q240-A271 WeakPolarHBondContact O-CB 3.47Å; V243-A271 HydrophobicContact CB-CB 3.69Å; V243-A271 HydrophobicContact CG1-CB 3.58Å; A244-A271 HydrophobicContact CB-CB 4.4Å; N268-A271 WeakPolarHBondContact O-CB 3.21Å; N268-A271 PolarHBondContact O-N 2.76Å; N268-A271 VanDerWaalsContact O-N 3.13Å; L269-A271 PolarHBondContact O-N 3.32Å
272I82.3Confident87Confident36 Ų3650.5 Ų50.519%0.18528%0.284CS..G310 helixtrans-96.4-11.3-179.956.7159.6000113.6M1 L16 L247 L269 G270M1-I272 HydrophobicContact CE-CD1 3.43Å; M1-I272 VanDerWaalsContact CE-CD1 3.43Å; M1-I272 HydrophobicContact SD-CD1 3.46Å; M1-I272 WeakPolarHBondContact SD-CD1 3.35Å; L16-I272 HydrophobicContact CD1-CB 4.34Å; L16-I272 HydrophobicContact CD1-CD1 3.91Å; L16-I272 HydrophobicContact CD1-CG1 3.82Å; L16-I272 HydrophobicContact CD1-CG2 3.61Å; L16-I272 HydrophobicContact CG-CG2 3.91Å; L247-I272 HydrophobicContact CD1-CG2 3.38Å; L269-I272 WeakPolarHBondContact O-CG1 3.01Å; L269-I272 PolarHBondContact O-N 2.72Å; G270-I272 PolarHBondContact O-N 3.22Å
273Q65.1Low86.9Confident133 Ų13356 Ų5662%0.62131%0.309SS*.SBendtrans-68.7162.8172.9-71.6-179.6-10.200109.2G270 T275G270-Q273 PolarHBondContact O-N 3.34Å; Q273-T275 PolarHBondContact O-N 2.84Å
274A54.5Low86.8Confident92 Ų9250.8 Ų50.876%0.7629%0.285SS*.THydrogen-bonded Turntrans-58.610.3-165.700000116.6
275T61.5Low86.7Confident61 Ų6149.6 Ų49.637%0.37428%0.281SS..THydrogen-bonded Turntrans-101.7-31.1-171.840.50000115Q273 K279Q273-T275 PolarHBondContact O-N 2.84Å; T275-K279 WeakPolarHBondContact O-CD 3.47Å; T275-K279 WeakPolarHBondContact O-CE 3.42Å; T275-K279 VanDerWaalsContact O-CG 3.29Å; T275-K279 WeakPolarHBondContact O-CG 3.23Å; T275-K279 PolarHBondContact O-NZ 3.28Å
276V75.9Confident86.7Confident0 Ų053.4 Ų53.40%030%0.301CS..THydrogen-bonded Turntrans-119.5-57.5-169.8-164.20000114C236 Q240 L241 A244 K279 M280C236-V276 HydrophobicContact CB-CG1 4.4Å; C236-V276 HydrophobicContact CB-CG2 3.35Å; Q240-V276 HydrophobicContact CB-CG2 4.34Å; L241-V276 HydrophobicContact CD1-CG1 4.4Å; A244-V276 HydrophobicContact CB-CB 3.93Å; A244-V276 HydrophobicContact CB-CG1 3.53Å; V276-K279 CarbonylContact O-C 3.53Å; V276-K279 WeakPolarHBondContact O-CA 3.29Å; V276-K279 PolarHBondContact O-N 3.35Å; V276-M280 PolarHBondContact O-N 3.11Å
277L82.2Confident86.7Confident27 Ų2751.4 Ų51.414%0.14129%0.29CS..G310 helixtrans-57.1-42.6-176.4-176.864.3000113.4A244 L247 R248 K279 M280A244-L277 HydrophobicContact CB-CB 4.37Å; A244-L277 WeakPolarHBondContact O-CD1 3.41Å; L247-L277 HydrophobicContact CB-CD1 4.1Å; L247-L277 HydrophobicContact CB-CD2 4.34Å; R248-L277 HydrophobicContact CB-CD1 4.43Å; L277-K279 PolarHBondContact O-N 2.86Å; L277-M280 VanDerWaalsContact O-CB 3.31Å; L277-M280 WeakPolarHBondContact O-CB 3.37Å; L277-M280 PolarHBondContact O-N 3.48Å
278P85.9Confident86.8Confident89 Ų8948.6 Ų48.658%0.57828%0.277SS*.G310 helixtrans-66-24.4174.6-21.134.5000114.1M280P278-M280 VanDerWaalsContact C-N 3.31Å
279K88.9Confident86.9Confident86 Ų8649 Ų4937%0.37428%0.279SS..G310 helixtrans-85-4178-55.9-171.7-170165.80113.1L234 T275 V276 L277 T281L234-K279 HydrophobicContact CD2-CB 3.86Å; L234-K279 HydrophobicContact CD2-CD 4.07Å; L234-K279 PolarHBondContact O-NZ 2.96Å; T275-K279 WeakPolarHBondContact O-CD 3.47Å; T275-K279 WeakPolarHBondContact O-CE 3.42Å; T275-K279 VanDerWaalsContact O-CG 3.29Å; T275-K279 WeakPolarHBondContact O-CG 3.23Å; T275-K279 PolarHBondContact O-NZ 3.28Å; V276-K279 CarbonylContact O-C 3.53Å; V276-K279 WeakPolarHBondContact O-CA 3.29Å; V276-K279 PolarHBondContact O-N 3.35Å; L277-K279 PolarHBondContact O-N 2.86Å; K279-T281 PolarHBondContact O-N 3.01Å
280M90.3Very high87Confident20 Ų2054 Ų5410%0.09931%0.306CS..  trans-75.561.7177.8-164.564.76400111.2L241 A244 W245 R248 V276 L277 P278 V284 V285 I288L241-M280 HydrophobicContact CD1-CE 3.72Å; A244-M280 HydrophobicContact CB-CE 4.25Å; W245-M280 HydrophobicContact CB-CE 3.96Å; R248-M280 HydrophobicContact CB-CG 3.91Å; V276-M280 PolarHBondContact O-N 3.11Å; L277-M280 VanDerWaalsContact O-CB 3.31Å; L277-M280 WeakPolarHBondContact O-CB 3.37Å; L277-M280 PolarHBondContact O-N 3.48Å; P278-M280 VanDerWaalsContact C-N 3.31Å; M280-V284 HydrophobicContact SD-CG1 3.85Å; M280-V285 HydrophobicContact CG-CG2 3.74Å; M280-V285 HydrophobicContact SD-CG2 3.89Å; M280-I288 HydrophobicContact SD-CD1 3.98Å
281T93.2Very high87.3Confident72 Ų7255.4 Ų55.444%0.44231%0.312SS..  trans-70.7163.1179.365.60000111.5K279 H283 V284 V285K279-T281 PolarHBondContact O-N 3.01Å; T281-H283 PolarHBondContact O-N 3.24Å; T281-H283 VanDerWaalsContact O-N 3.14Å; T281-V284 PolarHBondContact O-N 2.89Å; T281-V284 VanDerWaalsContact O-N 3.09Å; T281-V284 PolarHBondContact OG1-N 3.26Å; T281-V285 WeakPolarHBondContact O-CG2 3.41Å; T281-V285 PolarHBondContact O-N 3.37Å
282S93.6Very high87.7Confident95 Ų9555.4 Ų55.466%0.66431%0.312SS*.Hα-helixtrans-54.4-33.9175.1-50.10000112.8N286S282-N286 WeakPolarHBondContact O-CB 3.43Å; S282-N286 PolarHBondContact O-N 2.95Å; S282-N286 PolarHBondContact O-ND2 3.44Å
283H95.4Very high88.4Confident123 Ų12364 Ų6457%0.56934%0.342SS*.Hα-helixtrans-64.2-50.4175.8178.770.4000111.9T281 V285 N286 E287T281-H283 PolarHBondContact O-N 3.24Å; T281-H283 VanDerWaalsContact O-N 3.14Å; H283-V285 VanDerWaalsContact C-N 3.32Å; H283-V285 PolarHBondContact O-N 3.39Å; H283-N286 PolarHBondContact O-N 3.46Å; H283-E287 PolarHBondContact O-N 2.81Å
284V95.6Very high89.8Confident7 Ų760 Ų604%0.04233%0.325CS..Hα-helixtrans-60.4-43.1177172.30000110.9I230 L234 M280 T281 N286 E287 I288I230-V284 HydrophobicContact CG2-CG1 4.08Å; L234-V284 HydrophobicContact CD1-CG1 3.92Å; L234-V284 HydrophobicContact CD2-CG2 4.32Å; M280-V284 HydrophobicContact SD-CG1 3.85Å; T281-V284 PolarHBondContact O-N 2.89Å; T281-V284 VanDerWaalsContact O-N 3.09Å; T281-V284 PolarHBondContact OG1-N 3.26Å; V284-N286 PolarHBondContact O-N 3.21Å; V284-E287 PolarHBondContact O-N 2.98Å; V284-I288 HydrophobicContact CG1-CD1 3.94Å; V284-I288 WeakPolarHBondContact O-CG1 3.41Å; V284-I288 PolarHBondContact O-N 2.92Å
285V95.5Very high91.8Very high23 Ų2361.3 Ų61.314%0.13931%0.313CS..Hα-helixtrans-63-42178.5176.10000111.4M280 T281 H283 E287 I288 D289M280-V285 HydrophobicContact CG-CG2 3.74Å; M280-V285 HydrophobicContact SD-CG2 3.89Å; T281-V285 WeakPolarHBondContact O-CG2 3.41Å; T281-V285 PolarHBondContact O-N 3.37Å; H283-V285 VanDerWaalsContact C-N 3.32Å; H283-V285 PolarHBondContact O-N 3.39Å; V285-E287 VanDerWaalsContact C-N 3.34Å; V285-I288 PolarHBondContact O-N 3.3Å; V285-D289 WeakPolarHBondContact O-CB 3.31Å; V285-D289 PolarHBondContact O-N 3.02Å
286N96.6Very high93.3Very high81 Ų8159.4 Ų59.443%0.43330%0.302SS..Hα-helixtrans-65.2-37.7176.8-73.7-19.1000112.2S282 H283 V284 D289 N290S282-N286 WeakPolarHBondContact O-CB 3.43Å; S282-N286 PolarHBondContact O-N 2.95Å; S282-N286 PolarHBondContact O-ND2 3.44Å; H283-N286 PolarHBondContact O-N 3.46Å; V284-N286 PolarHBondContact O-N 3.21Å; N286-D289 PolarHBondContact O-N 2.73Å; N286-N290 WeakPolarHBondContact O-CB 3.28Å; N286-N290 PolarHBondContact O-N 2.93Å; N286-N290 PolarHBondContact O-ND2 3.14Å
287E97.4Very high93.8Very high56 Ų5669.4 Ų69.426%0.26234%0.341SS..Hα-helixtrans-64.4-44.1175.3-163.3-178.8153.100111.6I230 R233 H283 V284 V285 D289 N290 I291I230-E287 HydrophobicContact CD1-CB 4.11Å; I230-E287 HydrophobicContact CD1-CG 3.7Å; I230-E287 WeakPolarHBondContact CD1-OE1 3.48Å; I230-E287 HydrophobicContact CG1-CG 4.45Å; I230-E287 VanDerWaalsContact CG1-OE1 3.3Å; I230-E287 WeakPolarHBondContact CG1-OE1 3.19Å; R233-E287 IonicContact CZ-OE2 3.17Å; R233-E287 IonicContact NH1-OE2 2.83Å; R233-E287 VanDerWaalsContact NH2-CD 3.25Å; R233-E287 IonicContact NH2-OE1 2.72Å; R233-E287 PolarHBondContact NH2-OE1 3.39Å; R233-E287 IonicContact NH2-OE2 3.58Å; R233-E287 PolarHBondContact NH2-OE2 3Å; H283-E287 PolarHBondContact O-N 2.81Å; V284-E287 PolarHBondContact O-N 2.98Å; V285-E287 VanDerWaalsContact C-N 3.34Å; E287-D289 PolarHBondContact O-N 3.3Å; E287-N290 PolarHBondContact O-N 2.84Å; E287-I291 WeakPolarHBondContact O-CG1 3.35Å; E287-I291 PolarHBondContact O-N 3.14Å; E287-I291 VanDerWaalsContact O-N 3.12Å
288I97.6Very high93.3Very high1 Ų170.7 Ų70.71%0.00535%0.353CS..Hα-helixtrans-60.2-45.4172.4-66.6169.4000110.4L154 L227 I230 L241 M280 V284 V285 N290 I291 L292L154-I288 HydrophobicContact CD2-CG2 4.11Å; L227-I288 HydrophobicContact CD2-CB 4.27Å; L227-I288 HydrophobicContact CD2-CG1 3.94Å; L227-I288 HydrophobicContact CD2-CG2 4.07Å; I230-I288 HydrophobicContact CD1-CG1 3.97Å; L241-I288 HydrophobicContact CD1-CD1 4.35Å; L241-I288 HydrophobicContact CD2-CD1 4.5Å; M280-I288 HydrophobicContact SD-CD1 3.98Å; V284-I288 HydrophobicContact CG1-CD1 3.94Å; V284-I288 WeakPolarHBondContact O-CG1 3.41Å; V284-I288 PolarHBondContact O-N 2.92Å; V285-I288 PolarHBondContact O-N 3.3Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 3.21Å; I288-I291 PolarHBondContact O-N 2.71Å; I288-L292 HydrophobicContact CG2-CD1 3.54Å; I288-L292 HydrophobicContact CG2-CG 4.05Å; I288-L292 WeakPolarHBondContact O-CB 3.44Å; I288-L292 VanDerWaalsContact O-CG 3.25Å; I288-L292 WeakPolarHBondContact O-CG 3.46Å; I288-L292 PolarHBondContact O-N 3.28Å
289D97.5Very high92Very high12 Ų1275.9 Ų75.96%0.06437%0.366CS..Hα-helixtrans-60.6-39.3177.7-80.9-26.1000112R157 V285 N286 E287 I291 L292 R293 K295R157-D289 IonicContact CZ-OD1 3.15Å; R157-D289 IonicContact NH1-OD1 3.4Å; R157-D289 PolarHBondContact NH1-OD1 2.81Å; R157-D289 IonicContact NH2-OD1 3.61Å; R157-D289 PolarHBondContact NH2-OD1 2.81Å; V285-D289 WeakPolarHBondContact O-CB 3.31Å; V285-D289 PolarHBondContact O-N 3.02Å; N286-D289 PolarHBondContact O-N 2.73Å; E287-D289 PolarHBondContact O-N 3.3Å; D289-I291 PolarHBondContact O-N 2.99Å; D289-L292 PolarHBondContact O-N 3.37Å; D289-R293 WeakPolarHBondContact O-CA 3.4Å; D289-R293 PolarHBondContact O-N 2.77Å; D289-K295 WeakPolarHBondContact OD2-CD 3.28Å; D289-K295 IonicContact OD2-NZ 2.6Å
290N97.6Very high90.4Very high116 Ų11680.2 Ų80.262%0.6239%0.385SS*.Hα-helixtrans-66.5-34.1177.8-74.2-21.7000113.2N286 E287 I288 R293N286-N290 WeakPolarHBondContact O-CB 3.28Å; N286-N290 PolarHBondContact O-N 2.93Å; N286-N290 PolarHBondContact O-ND2 3.14Å; E287-N290 PolarHBondContact O-N 2.84Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 3.21Å; N290-R293 WeakPolarHBondContact O-CG 3.12Å; N290-R293 PolarHBondContact O-NE 3.44Å
291I97.6Very high88.6Confident34 Ų3484 Ų8417%0.17441%0.406CS..Hα-helixtrans-74.3-46.9174.1-67.5163.2000110.2K223 D226 L227 I230 E287 I288 D289K223-I291 HydrophobicContact CB-CG2 4.2Å; K223-I291 HydrophobicContact CG-CG2 4.45Å; D226-I291 HydrophobicContact CB-CD1 4.36Å; D226-I291 HydrophobicContact CB-CG1 4.36Å; D226-I291 HydrophobicContact CB-CG2 3.73Å; D226-I291 WeakPolarHBondContact O-CD1 3Å; L227-I291 HydrophobicContact CD2-CB 4.28Å; L227-I291 HydrophobicContact CD2-CD1 3.85Å; L227-I291 HydrophobicContact CD2-CG2 4.15Å; L227-I291 HydrophobicContact CG-CD1 4.46Å; L227-I291 HydrophobicContact CG-CG2 4.02Å; I230-I291 HydrophobicContact CD1-CD1 3.61Å; E287-I291 WeakPolarHBondContact O-CG1 3.35Å; E287-I291 PolarHBondContact O-N 3.14Å; E287-I291 VanDerWaalsContact O-N 3.12Å; I288-I291 PolarHBondContact O-N 2.71Å; D289-I291 PolarHBondContact O-N 2.99Å
292L97.3Very high86.3Confident0 Ų090.9 Ų90.90%043%0.425CS..Hα-helixtrans-71.7-32.9-175-66.8177.8000112.9L154 F155 K223 L227 I288 D289 N294L154-L292 HydrophobicContact CB-CD1 3.89Å; L154-L292 HydrophobicContact CB-CD2 4.06Å; L154-L292 HydrophobicContact CD2-CD1 3.85Å; L154-L292 HydrophobicContact CG-CD1 4.43Å; F155-L292 HydrophobicContact CD1-CD2 4.09Å; F155-L292 HydrophobicContact CE1-CD2 3.59Å; F155-L292 HydrophobicContact CZ-CD2 4.36Å; K223-L292 PolarHBondContact NZ-O 3.01Å; L227-L292 HydrophobicContact CD1-CD2 4.09Å; I288-L292 HydrophobicContact CG2-CD1 3.54Å; I288-L292 HydrophobicContact CG2-CG 4.05Å; I288-L292 WeakPolarHBondContact O-CB 3.44Å; I288-L292 VanDerWaalsContact O-CG 3.25Å; I288-L292 WeakPolarHBondContact O-CG 3.46Å; I288-L292 PolarHBondContact O-N 3.28Å; D289-L292 PolarHBondContact O-N 3.37Å; L292-N294 VanDerWaalsContact CB-OD1 3.25Å; L292-N294 WeakPolarHBondContact CB-OD1 2.91Å; L292-N294 PolarHBondContact O-N 2.86Å; L292-N294 VanDerWaalsContact O-N 3.15Å
293R96.3Very high84.1Confident217 Ų21797.8 Ų97.882%0.81944%0.436SS*.  trans47.839-178.9-56.6-172.6-179.4-175.8-0.5113.5D289 N290D289-R293 WeakPolarHBondContact O-CA 3.4Å; D289-R293 PolarHBondContact O-N 2.77Å; N290-R293 WeakPolarHBondContact O-CG 3.12Å; N290-R293 PolarHBondContact O-NE 3.44Å
294N96.1Very high81.4Confident48 Ų4899.6 Ų99.626%0.25746%0.463SS..  trans-139.120.6-176.672.2-6.8000112.4L154 R157 L292 P296L154-N294 PolarHBondContact O-ND2 2.65Å; R157-N294 VanDerWaalsContact CD-OD1 3.23Å; R157-N294 WeakPolarHBondContact CD-OD1 3.45Å; R157-N294 PolarHBondContact NH1-OD1 2.86Å; L292-N294 VanDerWaalsContact CB-OD1 3.25Å; L292-N294 WeakPolarHBondContact CB-OD1 2.91Å; L292-N294 PolarHBondContact O-N 2.86Å; L292-N294 VanDerWaalsContact O-N 3.15Å; N294-P296 WeakPolarHBondContact O-CD 3.44Å; N294-P296 VanDerWaalsContact O-N 3.16Å
295K95.9Very high80.7Confident119 Ų119104.3 Ų104.352%0.51748%0.484SS..PPolyproline II helixtrans-57.8119.6175-173.6179.5-171.7165.10108D289D289-K295 WeakPolarHBondContact OD2-CD 3.28Å; D289-K295 IonicContact OD2-NZ 2.6Å
296P92.6Very high79.9Confident22 Ų22108.5 Ų108.514%0.14350%0.502CS..PPolyproline II helixtrans-71.4144.2-177.429.9-33.2000109.8R157 E158 E161 V162 N294R157-P296 HydrophobicContact CB-CG 4.18Å; E158-P296 HydrophobicContact CB-CB 4.29Å; E161-P296 HydrophobicContact CB-CG 3.74Å; E161-P296 HydrophobicContact CG-CG 4.49Å; E161-P296 WeakPolarHBondContact OE2-CD 3.38Å; E161-P296 WeakPolarHBondContact OE2-CG 3.4Å; V162-P296 HydrophobicContact CG2-CB 3.65Å; V162-P296 HydrophobicContact CG2-CG 3.92Å; N294-P296 WeakPolarHBondContact O-CD 3.44Å; N294-P296 VanDerWaalsContact O-N 3.16Å
297Y86Confident79Confident210 Ų210110.1 Ų110.182%0.82451%0.506SS*.PPolyproline II helixtrans-70.4132.8-179.8-64.3-82000110.8
298S72.3Confident77.9Confident54 Ų54113.2 Ų113.238%0.37852%0.52SS..PPolyproline II helixtrans-101.7142.4172-172.10000110.2K300 D301S298-K300 PolarHBondContact O-N 3.36Å; S298-D301 PolarHBondContact N-OD2 2.65Å; S298-D301 VanDerWaalsContact N-OD2 3.1Å; S298-D301 WeakPolarHBondContact O-CB 3.16Å; S298-D301 PolarHBondContact O-N 3.12Å
299K57.8Low76.7Confident197 Ų197120.3 Ų120.386%0.85755%0.553SS**G310 helixtrans-58.4-19.1173.3-78.1-176.3176.71790113.4D301 Y302K299-D301 PolarHBondContact O-N 3.47Å; K299-Y302 PolarHBondContact O-N 3.44Å
300K55.9Low75.3Confident177 Ų177127.5 Ų127.577%0.7759%0.585SS**G310 helixtrans-65.4-25.4173.9-75-176.2177.4178.80112.9S298 Y302S298-K300 PolarHBondContact O-N 3.36Å; K300-Y302 PolarHBondContact O-N 3.07Å
301D52.2Low73.7Confident101 Ų101128.3 Ų128.354%0.5458%0.583SS.*G310 helixtrans-74.8-8.1-179.4-53.5-37.8000112.8S298 K299 S304S298-D301 PolarHBondContact N-OD2 2.65Å; S298-D301 VanDerWaalsContact N-OD2 3.1Å; S298-D301 WeakPolarHBondContact O-CB 3.16Å; S298-D301 PolarHBondContact O-N 3.12Å; K299-D301 PolarHBondContact O-N 3.47Å; D301-S304 PolarHBondContact O-OG 2.93Å
302Y46.3Very low71.9Confident215 Ų215135.5 Ų135.584%0.84361%0.614SS**G310 helixtrans-89.8-10.1-179-135.3-85.6000113.9K299 K300K299-Y302 PolarHBondContact O-N 3.44Å; K300-Y302 PolarHBondContact O-N 3.07Å
303R46.8Very low69.8Low241 Ų241146.8 Ų146.891%0.90967%0.665SS**  trans-110.19.1-175.8-69.9-172.5177.3-178.3-1.5113.4
304S39.1Very low67.4Low161 Ų161140.5 Ų140.5100%1.12665%0.651SS**  trans-109.50175.5550000111D301D301-S304 PolarHBondContact O-OG 2.93Å

Retrieved 304 of 304 residues in 2246 ms (Link to these results)

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