A0A077ZK06_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK06, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 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
1M96.3Very high97.6Very high23 Ų2339.2 Ų39.211%0.11319%0.194CC..  0137.10177-178.372.900108.1L3 V25 L48 L60 L61 L157 L189M1-L3 HydrophobicContact CE-CD1 4.16Å; M1-L3 HydrophobicContact CG-CD1 4.28Å; M1-V25 HydrophobicContact CB-CB 4.29Å; M1-V25 HydrophobicContact CE-CB 4.06Å; M1-V25 HydrophobicContact CE-CG2 3.59Å; M1-V25 PolarHBondContact N-O 3.19Å; M1-V25 PolarHBondContact O-N 3.02Å; M1-V25 VanDerWaalsContact O-O 3.12Å; M1-L48 HydrophobicContact CE-CD1 3.73Å; M1-L48 HydrophobicContact CE-CD2 4.01Å; M1-L48 HydrophobicContact SD-CD1 3.98Å; M1-L48 HydrophobicContact SD-CD2 3.52Å; M1-L48 VanDerWaalsContact SD-CD2 3.52Å; M1-L48 HydrophobicContact SD-CG 4.26Å; M1-L60 CarbonylContact C-O 3.55Å; M1-L60 WeakPolarHBondContact CA-O 3.45Å; M1-L60 WeakPolarHBondContact CG-O 3.44Å; M1-L61 HydrophobicContact CB-CD1 4.22Å; M1-L157 HydrophobicContact SD-CD2 3.87Å; M1-L189 HydrophobicContact CE-CD1 3.7Å; M1-L189 HydrophobicContact CE-CD2 3.72Å; M1-L189 HydrophobicContact CE-CG 4.4Å
2T98Very high97.2Very high15 Ų1553.2 Ų53.29%0.09226%0.258CS..EExtended strand (participates in β ladder)trans-134.7132-175.4-520000109.6R4 L23 Q24 I59 L60T2-R4 HydrophobicContact CG2-CG 4.02Å; T2-L23 CarbonylContact C-O 3.53Å; T2-L23 WeakPolarHBondContact CA-O 3.24Å; T2-Q24 PolarHBondContact OG1-NE2 2.66Å; T2-Q24 PolarHBondContact OG1-OE1 3.27Å; T2-I59 CarbonylContact O-C 3.55Å; T2-I59 WeakPolarHBondContact O-CA 3.1Å; T2-L60 PolarHBondContact N-O 3.35Å; T2-L60 PolarHBondContact O-N 3.3Å
3L98.5Very high96.9Very high3 Ų357.5 Ų57.52%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-109.3131.3169.7-67.877.2000107.7M1 V6 I21 S22 L23 L44 L48 I59M1-L3 HydrophobicContact CE-CD1 4.16Å; M1-L3 HydrophobicContact CG-CD1 4.28Å; L3-V6 HydrophobicContact CB-CG2 3.87Å; L3-V6 HydrophobicContact CD2-CG2 4.26Å; L3-V6 HydrophobicContact CG-CG2 4.26Å; L3-I21 HydrophobicContact CD2-CG2 4.16Å; L3-S22 VanDerWaalsContact O-CA 3.28Å; L3-S22 WeakPolarHBondContact O-CA 3.43Å; L3-L23 HydrophobicContact CB-CB 4.35Å; L3-L23 HydrophobicContact CD1-CB 4.32Å; L3-L23 PolarHBondContact N-O 2.92Å; L3-L23 PolarHBondContact O-N 3.2Å; L3-L44 HydrophobicContact CD2-CD1 3.31Å; L3-L48 HydrophobicContact CD1-CD2 4.08Å; L3-L48 HydrophobicContact CD2-CD2 4.28Å; L3-L48 HydrophobicContact CG-CD2 4.41Å; L3-I59 HydrophobicContact CG-CG1 4.19Å; L3-I59 HydrophobicContact CG-CG2 4.3Å
4R98Very high96.4Very high122 Ų12262.8 Ų62.846%0.4632%0.324SS..EExtended strand (participates in β ladder)trans-122.8113.2178.2-62.5-179.6179.8162.3-1.9109.5T2 V6 G57 E58 L60T2-R4 HydrophobicContact CG2-CG 4.02Å; R4-V6 PolarHBondContact O-N 3.07Å; R4-V6 VanDerWaalsContact O-N 3.11Å; R4-G57 CarbonylContact O-C 3.53Å; R4-G57 WeakPolarHBondContact O-CA 3.45Å; R4-E58 HydrophobicContact CB-CG 4.05Å; R4-E58 WeakPolarHBondContact CD-OE1 3.37Å; R4-E58 HydrophobicContact CG-CG 4.4Å; R4-E58 IonicContact CZ-OE1 3.25Å; R4-E58 PolarHBondContact N-O 3.12Å; R4-E58 IonicContact NE-OE1 3Å; R4-E58 IonicContact NH1-OE1 3.75Å; R4-E58 PolarHBondContact NH1-OE1 3.05Å; R4-E58 PolarHBondContact O-N 3.44Å; R4-L60 VanDerWaalsContact CZ-CD1 3.45Å
5D98Very high96.2Very high79 Ų7966.6 Ų66.642%0.42234%0.339SS..EExtended strand (participates in β ladder)trans46.141.9176.6-165.639.9000114.2Q7 G20 I21 S22 G57D5-Q7 PolarHBondContact O-N 3.28Å; D5-Q7 PolarHBondContact OD2-NE2 3.19Å; D5-G20 WeakPolarHBondContact OD1-CA 3.07Å; D5-I21 PolarHBondContact N-O 3.42Å; D5-S22 PolarHBondContact N-OG 3.48Å; D5-G57 WeakPolarHBondContact O-CA 3.31Å
6V98.4Very high96.1Very high0 Ų065.6 Ų65.60%033%0.333CS..EExtended strand (participates in β ladder)trans-69.5124-173.4170.40000110.7L3 R4 L18 G20 I21 L47 P54 Q56 E58 I59L3-V6 HydrophobicContact CB-CG2 3.87Å; L3-V6 HydrophobicContact CD2-CG2 4.26Å; L3-V6 HydrophobicContact CG-CG2 4.26Å; R4-V6 PolarHBondContact O-N 3.07Å; R4-V6 VanDerWaalsContact O-N 3.11Å; V6-L18 HydrophobicContact CG1-CD1 4.34Å; V6-G20 WeakPolarHBondContact O-CA 3.2Å; V6-G20 PolarHBondContact O-N 3.04Å; V6-I21 HydrophobicContact CB-CB 4.31Å; V6-I21 PolarHBondContact N-O 3.28Å; V6-I21 PolarHBondContact O-N 3.24Å; V6-L47 HydrophobicContact CG1-CD1 3.56Å; V6-P54 HydrophobicContact CG1-CB 3.97Å; V6-Q56 WeakPolarHBondContact CA-O 3.49Å; V6-E58 WeakPolarHBondContact CG2-O 3.46Å; V6-I59 HydrophobicContact CG2-CD1 4.47Å; V6-I59 HydrophobicContact CG2-CG1 3.74Å
7Q98.5Very high96.2Very high34 Ų3462.6 Ų62.616%0.15932%0.321CS..EExtended strand (participates in β ladder)trans-126.8136.9-179.5-71.1-1775300111.2D5 L18 G20 Q55 Q56D5-Q7 PolarHBondContact O-N 3.28Å; D5-Q7 PolarHBondContact OD2-NE2 3.19Å; Q7-L18 VanDerWaalsContact CA-O 3.28Å; Q7-L18 WeakPolarHBondContact CA-O 3.48Å; Q7-G20 VanDerWaalsContact CG-N 3.33Å; Q7-Q55 PolarHBondContact O-N 3.42Å; Q7-Q56 HydrophobicContact CB-CB 3.97Å; Q7-Q56 HydrophobicContact CB-CG 4.44Å; Q7-Q56 HydrophobicContact CG-CB 4.44Å; Q7-Q56 PolarHBondContact N-O 3.17Å; Q7-Q56 PolarHBondContact O-N 3.41Å
8F98.3Very high96.3Very high6 Ų659.2 Ų59.23%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-154.4138.8-178.8-178.8-99000113Y10 Q16 A17 L18 T43 L47 W52 D53 Q55F8-Y10 AromaticContact CE1-CD1 3.61Å; F8-Y10 HydrophobicContact CE1-CD1 3.61Å; F8-Y10 AromaticContact CE1-CD2 3.96Å; F8-Y10 HydrophobicContact CE1-CD2 3.96Å; F8-Y10 AromaticContact CE1-CE1 3.68Å; F8-Y10 HydrophobicContact CE1-CE1 3.68Å; F8-Y10 HydrophobicContact CE1-CE2 4.01Å; F8-Y10 AromaticContact CE1-CG 3.76Å; F8-Y10 HydrophobicContact CE1-CG 3.76Å; F8-Y10 AromaticContact CE1-CZ 3.87Å; F8-Y10 AromaticContact CZ-CD1 3.92Å; F8-Y10 HydrophobicContact CZ-CD1 3.92Å; F8-Y10 HydrophobicContact CZ-CE1 4.16Å; F8-Y10 HydrophobicContact CZ-CG 4.33Å; F8-Q16 WeakPolarHBondContact O-CG 3.49Å; F8-A17 HydrophobicContact CD1-CB 4.31Å; F8-A17 PolarHBondContact O-N 3.26Å; F8-L18 HydrophobicContact CB-CB 4.42Å; F8-L18 PolarHBondContact N-O 3.07Å; F8-L18 PolarHBondContact O-N 3.21Å; F8-L18 VanDerWaalsContact O-N 3.09Å; F8-T43 HydrophobicContact CD1-CG2 3.54Å; F8-T43 HydrophobicContact CE1-CG2 3.96Å; F8-L47 HydrophobicContact CB-CD1 3.9Å; F8-L47 HydrophobicContact CB-CD2 4.43Å; F8-L47 HydrophobicContact CD1-CD2 4.42Å; F8-L47 HydrophobicContact CD2-CD2 3.9Å; F8-L47 HydrophobicContact CE2-CD2 4.27Å; F8-L47 HydrophobicContact CG-CD1 4.32Å; F8-L47 HydrophobicContact CG-CD2 3.99Å; F8-W52 HydrophobicContact CD2-CB 4.49Å; F8-W52 HydrophobicContact CE1-CG 4.42Å; F8-W52 HydrophobicContact CE2-CB 3.62Å; F8-W52 HydrophobicContact CE2-CD2 4.35Å; F8-W52 HydrophobicContact CE2-CE3 4.29Å; F8-W52 HydrophobicContact CE2-CG 4.1Å; F8-W52 HydrophobicContact CZ-CB 3.64Å; F8-W52 AromaticContact CZ-CD2 3.76Å; F8-W52 HydrophobicContact CZ-CD2 3.76Å; F8-W52 AromaticContact CZ-CE3 3.96Å; F8-W52 HydrophobicContact CZ-CE3 3.96Å; F8-W52 AromaticContact CZ-CG 3.62Å; F8-W52 HydrophobicContact CZ-CG 3.62Å; F8-D53 WeakPolarHBondContact CD2-O 3.38Å; F8-Q55 HydrophobicContact CD2-CG 4.46Å
9T97.9Very high96.4Very high27 Ų2759.6 Ų59.617%0.16630%0.303CS..  trans-130.7129.4173.6-49.60000108Q13 Q55T9-Q13 WeakPolarHBondContact CG2-O 3.42Å; T9-Q55 VanDerWaalsContact CB-OE1 3.29Å; T9-Q55 PolarHBondContact OG1-OE1 3.05Å
10Y96.6Very high96.5Very high44 Ų4457.8 Ų57.817%0.17330%0.299CS..  trans-63.8147.9174.6-73.7-78.8000110.5F8 E12 Q13 A17 T43 Q46 W52F8-Y10 AromaticContact CE1-CD1 3.61Å; F8-Y10 HydrophobicContact CE1-CD1 3.61Å; F8-Y10 AromaticContact CE1-CD2 3.96Å; F8-Y10 HydrophobicContact CE1-CD2 3.96Å; F8-Y10 AromaticContact CE1-CE1 3.68Å; F8-Y10 HydrophobicContact CE1-CE1 3.68Å; F8-Y10 HydrophobicContact CE1-CE2 4.01Å; F8-Y10 AromaticContact CE1-CG 3.76Å; F8-Y10 HydrophobicContact CE1-CG 3.76Å; F8-Y10 AromaticContact CE1-CZ 3.87Å; F8-Y10 AromaticContact CZ-CD1 3.92Å; F8-Y10 HydrophobicContact CZ-CD1 3.92Å; F8-Y10 HydrophobicContact CZ-CE1 4.16Å; F8-Y10 HydrophobicContact CZ-CG 4.33Å; Y10-E12 PolarHBondContact O-N 3.48Å; Y10-Q13 PolarHBondContact O-N 3.06Å; Y10-A17 HydrophobicContact CD2-CB 4.12Å; Y10-A17 HydrophobicContact CE2-CB 4Å; Y10-T43 HydrophobicContact CE2-CG2 3.96Å; Y10-T43 WeakPolarHBondContact CE2-OG1 3.41Å; Y10-T43 WeakPolarHBondContact OH-CB 3.49Å; Y10-T43 WeakPolarHBondContact OH-CG2 3.47Å; Y10-T43 PolarHBondContact OH-OG1 3.47Å; Y10-Q46 PolarHBondContact OH-OE1 3.17Å; Y10-W52 HydrophobicContact CD1-CZ2 4.2Å; Y10-W52 AromaticContact CE1-CE2 3.97Å; Y10-W52 HydrophobicContact CE1-CZ2 4.4Å; Y10-W52 AromaticContact CE1-NE1 3.64Å
11P95.1Very high96.5Very high78 Ų7855.1 Ų55.151%0.50629%0.286SS..THydrogen-bonded Turntrans-50.5142.3171.2-25.134.1000111.2Q13 W52P11-Q13 PolarHBondContact O-N 3.45Å; P11-W52 HydrophobicContact CG-CH2 3.88Å; P11-W52 HydrophobicContact CG-CZ3 3.6Å
12E92.7Very high96.6Very high207 Ų20757.3 Ų57.397%0.96730%0.303SS*.THydrogen-bonded Turntrans64.72.6178.3-50.7177.3178.200115.6Y10Y10-E12 PolarHBondContact O-N 3.48Å
13Q92.9Very high96.6Very high110 Ų11056.9 Ų56.951%0.51430%0.3SS..  trans-99.8137.8172.4-60.8-170.51100110.8T9 Y10 P11T9-Q13 WeakPolarHBondContact CG2-O 3.42Å; Y10-Q13 PolarHBondContact O-N 3.06Å; P11-Q13 PolarHBondContact O-N 3.45Å
14S90.1Very high96.5Very high131 Ų13161 Ų6192%0.91632%0.319SS*.SBendtrans-83.7-24.3172.6580000112.5
15Q93.1Very high96.5Very high120 Ų12055.2 Ų55.256%0.56130%0.298SS*.SBendtrans-86.8120.2-177.9-175.7173.8-0.400110.8A17Q15-A17 PolarHBondContact O-N 3.04Å
16Q95.5Very high96.5Very high51 Ų5155.9 Ų55.924%0.23830%0.301CS..  trans-64.8127.4173.3-169.5177.334.800110.8F8 L18 K19F8-Q16 WeakPolarHBondContact O-CG 3.49Å; Q16-L18 WeakPolarHBondContact CG-O 3.39Å; Q16-L18 PolarHBondContact NE2-O 3.32Å; Q16-K19 HydrophobicContact CB-CG 4.15Å; Q16-K19 HydrophobicContact CG-CG 3.93Å; Q16-K19 VanDerWaalsContact OE1-CG 3.27Å
17A97.6Very high96.4Very high15 Ų1560.5 Ų60.512%0.12434%0.339CS..SBendtrans-81.2-37.4-178.400000112.3F8 Y10 Q15 T43 G210F8-A17 HydrophobicContact CD1-CB 4.31Å; F8-A17 PolarHBondContact O-N 3.26Å; Y10-A17 HydrophobicContact CD2-CB 4.12Å; Y10-A17 HydrophobicContact CE2-CB 4Å; Q15-A17 PolarHBondContact O-N 3.04Å; A17-T43 HydrophobicContact CB-CG2 3.94Å; A17-G210 WeakPolarHBondContact O-CA 3.47Å
18L98.3Very high96.3Very high0 Ų060.7 Ų60.70%035%0.35CS..EExtended strand (participates in β ladder)trans-129.9131.8173.7-61.3-176.7000110.4V6 Q7 F8 Q16 I21 G40 T43 L44 L47 M207V6-L18 HydrophobicContact CG1-CD1 4.34Å; Q7-L18 VanDerWaalsContact CA-O 3.28Å; Q7-L18 WeakPolarHBondContact CA-O 3.48Å; F8-L18 HydrophobicContact CB-CB 4.42Å; F8-L18 PolarHBondContact N-O 3.07Å; F8-L18 PolarHBondContact O-N 3.21Å; F8-L18 VanDerWaalsContact O-N 3.09Å; Q16-L18 WeakPolarHBondContact CG-O 3.39Å; Q16-L18 PolarHBondContact NE2-O 3.32Å; L18-I21 HydrophobicContact CB-CG1 4.04Å; L18-I21 HydrophobicContact CD1-CG1 4.41Å; L18-I21 HydrophobicContact CD2-CG1 4.03Å; L18-I21 HydrophobicContact CG-CG1 4.39Å; L18-G40 WeakPolarHBondContact CD2-O 3.35Å; L18-T43 HydrophobicContact CD1-CG2 4.32Å; L18-T43 HydrophobicContact CG-CG2 4.17Å; L18-L44 HydrophobicContact CD1-CB 4.22Å; L18-L44 HydrophobicContact CD1-CD1 4.4Å; L18-L44 HydrophobicContact CD2-CB 4.41Å; L18-L47 HydrophobicContact CD1-CD1 3.5Å; L18-L47 HydrophobicContact CD1-CG 4.37Å; L18-M207 HydrophobicContact CD2-CE 3.63Å
19K97.9Very high96.2Very high68 Ų6861.5 Ų61.530%0.29635%0.354SS..EExtended strand (participates in β ladder)trans-125.666.7-168.1-43.9-172.9178.2160.80111.9Q16 N209 G210 Q211Q16-K19 HydrophobicContact CB-CG 4.15Å; Q16-K19 HydrophobicContact CG-CG 3.93Å; Q16-K19 VanDerWaalsContact OE1-CG 3.27Å; K19-N209 WeakPolarHBondContact CD-O 3.44Å; K19-N209 WeakPolarHBondContact CE-O 3.27Å; K19-N209 PolarHBondContact NZ-O 3.35Å; K19-G210 PolarHBondContact N-O 2.87Å; K19-Q211 HydrophobicContact CB-CG 3.81Å; K19-Q211 HydrophobicContact CD-CG 4.49Å; K19-Q211 HydrophobicContact CG-CG 4.47Å; K19-Q211 PolarHBondContact O-NE2 3.09Å
20G97.4Very high96.2Very high23 Ų2361.6 Ų61.624%0.23735%0.353CS..EExtended strand (participates in β ladder)trans85.746.9174.800000112.8D5 V6 Q7 S22D5-G20 WeakPolarHBondContact OD1-CA 3.07Å; V6-G20 WeakPolarHBondContact O-CA 3.2Å; V6-G20 PolarHBondContact O-N 3.04Å; Q7-G20 VanDerWaalsContact CG-N 3.33Å; G20-S22 PolarHBondContact O-N 2.97Å
21I98.1Very high96.2Very high2 Ų259.5 Ų59.51%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-71.6115.7179.1-59.1-66.3000109.5L3 D5 V6 L18 L44 M207 G210 I212L3-I21 HydrophobicContact CD2-CG2 4.16Å; D5-I21 PolarHBondContact N-O 3.42Å; V6-I21 HydrophobicContact CB-CB 4.31Å; V6-I21 PolarHBondContact N-O 3.28Å; V6-I21 PolarHBondContact O-N 3.24Å; L18-I21 HydrophobicContact CB-CG1 4.04Å; L18-I21 HydrophobicContact CD1-CG1 4.41Å; L18-I21 HydrophobicContact CD2-CG1 4.03Å; L18-I21 HydrophobicContact CG-CG1 4.39Å; I21-L44 HydrophobicContact CG2-CD1 4.38Å; I21-M207 HydrophobicContact CD1-CE 3.95Å; I21-G210 VanDerWaalsContact CD1-O 3.27Å; I21-G210 WeakPolarHBondContact CD1-O 3.28Å; I21-I212 HydrophobicContact CD1-CG1 4Å; I21-I212 HydrophobicContact CG2-CD1 4.02Å
22S98.2Very high96.3Very high68 Ų6855.8 Ų55.848%0.47632%0.32SS..EExtended strand (participates in β ladder)trans-112.9126.2167.7-61.10000109.3L3 D5 G20L3-S22 VanDerWaalsContact O-CA 3.28Å; L3-S22 WeakPolarHBondContact O-CA 3.43Å; D5-S22 PolarHBondContact N-OG 3.48Å; G20-S22 PolarHBondContact O-N 2.97Å
23L97.7Very high96.6Very high6 Ų646 Ų463%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-152.1130.4-176.5175.961000110.5T2 L3 V25 I31 I205 I212T2-L23 CarbonylContact C-O 3.53Å; T2-L23 WeakPolarHBondContact CA-O 3.24Å; L3-L23 HydrophobicContact CB-CB 4.35Å; L3-L23 HydrophobicContact CD1-CB 4.32Å; L3-L23 PolarHBondContact N-O 2.92Å; L3-L23 PolarHBondContact O-N 3.2Å; L23-V25 HydrophobicContact CD2-CG2 3.88Å; L23-V25 HydrophobicContact CG-CG2 3.87Å; L23-I31 HydrophobicContact CD1-CD1 4.44Å; L23-I205 HydrophobicContact CD1-CD1 3.42Å; L23-I205 VanDerWaalsContact CD1-CD1 3.42Å; L23-I205 HydrophobicContact CD2-CD1 3.56Å; L23-I205 HydrophobicContact CG-CD1 4.12Å; L23-I212 HydrophobicContact CB-CD1 4.33Å
24Q97.1Very high96.7Very high90 Ų9040.9 Ų40.942%0.42125%0.251SS..EExtended strand (participates in β ladder)trans-100.5130.6168-175.365.62600109.1T2T2-Q24 PolarHBondContact OG1-NE2 2.66Å; T2-Q24 PolarHBondContact OG1-OE1 3.27Å
25V97.5Very high96.8Very high1 Ų135.3 Ų35.31%0.00621%0.214CC..  trans-124.3113.5172.9-171.90000108.3M1 L23 E29 I31 T187 L189M1-V25 HydrophobicContact CB-CB 4.29Å; M1-V25 HydrophobicContact CE-CB 4.06Å; M1-V25 HydrophobicContact CE-CG2 3.59Å; M1-V25 PolarHBondContact N-O 3.19Å; M1-V25 PolarHBondContact O-N 3.02Å; M1-V25 VanDerWaalsContact O-O 3.12Å; L23-V25 HydrophobicContact CD2-CG2 3.88Å; L23-V25 HydrophobicContact CG-CG2 3.87Å; V25-E29 HydrophobicContact CG1-CB 4.37Å; V25-I31 HydrophobicContact CB-CD1 3.97Å; V25-I31 HydrophobicContact CG1-CD1 3.68Å; V25-I31 HydrophobicContact CG1-CG1 4.33Å; V25-I31 HydrophobicContact CG2-CD1 3.51Å; V25-T187 HydrophobicContact CG1-CG2 3.46Å; V25-T187 VanDerWaalsContact CG1-CG2 3.46Å; V25-L189 HydrophobicContact CG1-CD1 3.94Å; V25-L189 HydrophobicContact CG2-CD1 4.31Å; V25-L189 HydrophobicContact CG2-CD2 4.49Å
26N97Very high96.7Very high93 Ų9336.5 Ų36.550%0.49721%0.213SC..  trans-78.6156179.1-60.2-48.6000110.9G28 E29N26-G28 PolarHBondContact O-N 2.8Å; N26-E29 HydrophobicContact CB-CB 4.26Å; N26-E29 PolarHBondContact N-OE2 2.75Å; N26-E29 PolarHBondContact ND2-OE2 3.09Å; N26-E29 WeakPolarHBondContact O-CB 3.41Å; N26-E29 PolarHBondContact O-N 3.28Å; N26-E29 VanDerWaalsContact O-N 3.13Å
27A96.3Very high96.5Very high97 Ų9740.8 Ų40.880%0.80224%0.243SC*.THydrogen-bonded Turntrans-61.1132.6175.500000110.3E29A27-E29 PolarHBondContact O-N 3.28Å
28G96.2Very high96.1Very high38 Ų3843.6 Ų43.639%0.39227%0.274SS..THydrogen-bonded Turntrans78.61.8-177.900000114.6N26 K186 T187N26-G28 PolarHBondContact O-N 2.8Å; G28-K186 CarbonylContact C-O 3.59Å; G28-K186 WeakPolarHBondContact CA-O 3.46Å; G28-T187 PolarHBondContact N-OG1 3.41Å
29E97.3Very high95.9Very high23 Ų2343.8 Ų43.811%0.10728%0.275CS..  trans-79.5136.1179.7-169.1177.5-175.600111.6V25 N26 A27 I31 T187 V188 Q202V25-E29 HydrophobicContact CG1-CB 4.37Å; N26-E29 HydrophobicContact CB-CB 4.26Å; N26-E29 PolarHBondContact N-OE2 2.75Å; N26-E29 PolarHBondContact ND2-OE2 3.09Å; N26-E29 WeakPolarHBondContact O-CB 3.41Å; N26-E29 PolarHBondContact O-N 3.28Å; N26-E29 VanDerWaalsContact O-N 3.13Å; A27-E29 PolarHBondContact O-N 3.28Å; E29-I31 HydrophobicContact CG-CD1 4.38Å; E29-I31 HydrophobicContact CG-CG1 3.9Å; E29-T187 WeakPolarHBondContact O-CA 3.49Å; E29-V188 PolarHBondContact O-N 3.23Å; E29-Q202 HydrophobicContact CG-CB 4.25Å
30H97.5Very high95.8Very high29 Ų2940.8 Ų40.813%0.13426%0.263CS..EExtended strand (participates in β ladder)trans-104.5117.5172-56.9173.5000109.6M183 K186 V188 F201 Q202 Q203H30-M183 HydrophobicContact CB-CE 4.4Å; H30-M183 PolarHBondContact CE1-O 2.86Å; H30-M183 VanDerWaalsContact CE1-O 3.25Å; H30-M183 PolarHBondContact NE2-O 3.4Å; H30-K186 PolarHBondContact CD2-O 2.82Å; H30-K186 VanDerWaalsContact CD2-O 3.26Å; H30-K186 PolarHBondContact NE2-O 2.92Å; H30-K186 VanDerWaalsContact NE2-O 3.07Å; H30-V188 WeakPolarHBondContact CA-O 3.33Å; H30-V188 HydrophobicContact CB-CB 4.36Å; H30-V188 VanDerWaalsContact CD2-CG2 3.43Å; H30-V188 WeakPolarHBondContact CD2-CG2 3.49Å; H30-F201 HydrophobicContact CB-CD1 3.77Å; H30-F201 HydrophobicContact CB-CE1 4.11Å; H30-F201 HydrophobicContact CB-CG 4.37Å; H30-Q202 VanDerWaalsContact CB-OE1 3.23Å; H30-Q202 PolarHBondContact O-N 3.49Å; H30-Q202 VanDerWaalsContact O-N 3.14Å; H30-Q202 PolarHBondContact O-OE1 3.32Å; H30-Q203 PolarHBondContact O-N 3.22Å
31I97.9Very high95.8Very high0 Ų040.2 Ų40.20%025%0.254CS..EExtended strand (participates in β ladder)trans-116.5125.8-179.5-53.7-173.6000110.2L23 V25 E29 I33 V188 L189 M190 Q203 I205L23-I31 HydrophobicContact CD1-CD1 4.44Å; V25-I31 HydrophobicContact CB-CD1 3.97Å; V25-I31 HydrophobicContact CG1-CD1 3.68Å; V25-I31 HydrophobicContact CG1-CG1 4.33Å; V25-I31 HydrophobicContact CG2-CD1 3.51Å; E29-I31 HydrophobicContact CG-CD1 4.38Å; E29-I31 HydrophobicContact CG-CG1 3.9Å; I31-I33 HydrophobicContact CG2-CG1 4.37Å; I31-V188 PolarHBondContact N-O 3.35Å; I31-L189 HydrophobicContact CB-CG 4.46Å; I31-L189 WeakPolarHBondContact O-CA 3.45Å; I31-M190 PolarHBondContact O-N 3.31Å; I31-Q203 VanDerWaalsContact CA-O 3.3Å; I31-Q203 WeakPolarHBondContact CA-O 3.24Å; I31-Q203 HydrophobicContact CG1-CB 4.17Å; I31-Q203 HydrophobicContact CG2-CB 4.46Å; I31-I205 HydrophobicContact CG2-CD1 3.51Å; I31-I205 HydrophobicContact CG2-CG1 3.82Å
32A97.1Very high95.7Very high0 Ų041.4 Ų41.40%026%0.263CS..EExtended strand (participates in β ladder)trans-94.9136.7169.700000110.2L34 M190 L198 F201 Q203 I204 I205A32-L34 HydrophobicContact CB-CD1 4.28Å; A32-M190 CarbonylContact C-O 3.45Å; A32-M190 WeakPolarHBondContact CA-O 3.23Å; A32-L198 HydrophobicContact CB-CD2 3.53Å; A32-F201 HydrophobicContact CB-CB 4.41Å; A32-F201 HydrophobicContact CB-CD1 3.7Å; A32-F201 HydrophobicContact CB-CD2 4.48Å; A32-F201 HydrophobicContact CB-CE1 4.03Å; A32-F201 HydrophobicContact CB-CG 3.94Å; A32-F201 VanDerWaalsContact N-CD1 3.27Å; A32-Q203 PolarHBondContact N-O 2.93Å; A32-I204 HydrophobicContact CB-CG1 4.36Å; A32-I204 CarbonylContact O-C 3.59Å; A32-I204 WeakPolarHBondContact O-CA 3.2Å; A32-I205 PolarHBondContact O-N 3.27Å
33I97.3Very high95.6Very high0 Ų038.8 Ų38.80%024%0.244CC..EExtended strand (participates in β ladder)trans-118.3115.5179.7-54.8163.9000108.4I31 K41 L44 L189 M190 V191 T192 I205 M207I31-I33 HydrophobicContact CG2-CG1 4.37Å; I33-K41 HydrophobicContact CG2-CB 4.27Å; I33-K41 HydrophobicContact CG2-CD 4.09Å; I33-K41 HydrophobicContact CG2-CG 3.95Å; I33-L44 HydrophobicContact CD1-CD2 3.97Å; I33-L189 HydrophobicContact CD1-CB 4.22Å; I33-L189 HydrophobicContact CD1-CD2 4.14Å; I33-M190 PolarHBondContact N-O 2.77Å; I33-V191 HydrophobicContact CB-CG2 4.14Å; I33-V191 HydrophobicContact CD1-CG2 4.26Å; I33-V191 WeakPolarHBondContact O-CA 3.16Å; I33-T192 PolarHBondContact O-N 2.98Å; I33-I205 WeakPolarHBondContact CA-O 3.41Å; I33-M207 HydrophobicContact CG2-CG 4.04Å; I33-M207 HydrophobicContact CG2-SD 3.6Å; I33-M207 VanDerWaalsContact CG2-SD 3.6Å
34L95.1Very high95.6Very high3 Ų338.6 Ų38.62%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-113.7162.9179-65.9103.7000111A32 T192 L195 L198 I204 I205 V206 M207 Y228A32-L34 HydrophobicContact CB-CD1 4.28Å; L34-T192 WeakPolarHBondContact CG-O 3.3Å; L34-L195 HydrophobicContact CD2-CD2 3.5Å; L34-L195 VanDerWaalsContact CD2-CD2 3.5Å; L34-L198 HydrophobicContact CD1-CD1 3.87Å; L34-L198 HydrophobicContact CD2-CD1 3.93Å; L34-L198 HydrophobicContact CG-CD1 4.43Å; L34-I204 HydrophobicContact CD1-CG2 3.32Å; L34-I205 PolarHBondContact N-O 3.43Å; L34-V206 WeakPolarHBondContact O-CA 3.43Å; L34-M207 PolarHBondContact O-N 3.23Å; L34-Y228 HydrophobicContact CD1-CD2 4.42Å; L34-Y228 HydrophobicContact CD1-CE2 4.15Å; L34-Y228 HydrophobicContact CD2-CE2 4.38Å
35G93.3Very high95.7Very high14 Ų1434.7 Ų34.714%0.14423%0.225CC..EExtended strand (participates in β ladder)trans151164.5179.300000110.9K41 M207G35-K41 PolarHBondContact O-NZ 2.86Å; G35-M207 VanDerWaalsContact CA-O 3.23Å; G35-M207 WeakPolarHBondContact CA-O 3.12Å
36R90.6Very high95.6Very high146 Ų14637.9 Ų37.955%0.55124%0.24SC*.  trans-63.2160.6179-68.8-177.6170.9-166.1-1.6111.7G38 C39 K41R36-G38 PolarHBondContact O-N 2.97Å; R36-C39 PolarHBondContact O-N 3.43Å; R36-C39 PolarHBondContact O-SG 3.09Å; R36-K41 PolarHBondContact O-NZ 3.29Å
37T90.3Very high95.7Very high140 Ų14033.4 Ų33.486%0.85922%0.216SC*.THydrogen-bonded Turntrans-55.1137.5168.9-530000109.7C39T37-C39 VanDerWaalsContact C-N 3.34Å; T37-C39 PolarHBondContact O-N 2.82Å
38G91Very high95.7Very high75 Ų7528.9 Ų28.977%0.77318%0.178SC*.THydrogen-bonded Turntrans79.42.8179.400000116.1R36 G40R36-G38 PolarHBondContact O-N 2.97Å; G38-G40 PolarHBondContact O-N 3.44Å
39C93.1Very high95.7Very high3 Ų329.4 Ų29.42%0.0217%0.174CC..SBendtrans-79.53.9178.373.50000115.3R36 T37 K41 M207 G210R36-C39 PolarHBondContact O-N 3.43Å; R36-C39 PolarHBondContact O-SG 3.09Å; T37-C39 VanDerWaalsContact C-N 3.34Å; T37-C39 PolarHBondContact O-N 2.82Å; C39-K41 VanDerWaalsContact SG-CG 3.54Å; C39-M207 PolarHBondContact SG-O 3.19Å; C39-M207 VanDerWaalsContact SG-O 3.35Å; C39-G210 VanDerWaalsContact O-CA 3.3Å; C39-G210 WeakPolarHBondContact O-CA 3.19Å; C39-G210 PolarHBondContact O-N 3.01Å
40G96Very high95.6Very high5 Ų531.1 Ų31.15%0.05218%0.179CC..SBendtrans1033.8174.800000116.5L18 G38 T43 L44L18-G40 WeakPolarHBondContact CD2-O 3.35Å; G38-G40 PolarHBondContact O-N 3.44Å; G40-T43 WeakPolarHBondContact O-CB 3.44Å; G40-T43 PolarHBondContact O-N 2.94Å; G40-L44 PolarHBondContact O-N 2.79Å
41K96.7Very high95.4Very high11 Ų1132.6 Ų32.65%0.04820%0.197CC..Hα-helixtrans-58.2-52.3-177.8-51-174.5-56.8-74.70113.6I33 G35 R36 C39 T43 L44 L45 V191 M207I33-K41 HydrophobicContact CG2-CB 4.27Å; I33-K41 HydrophobicContact CG2-CD 4.09Å; I33-K41 HydrophobicContact CG2-CG 3.95Å; G35-K41 PolarHBondContact O-NZ 2.86Å; R36-K41 PolarHBondContact O-NZ 3.29Å; C39-K41 VanDerWaalsContact SG-CG 3.54Å; K41-T43 VanDerWaalsContact C-N 3.31Å; K41-T43 PolarHBondContact O-N 3.05Å; K41-L44 WeakPolarHBondContact O-CB 3.3Å; K41-L44 PolarHBondContact O-N 3.47Å; K41-L45 PolarHBondContact O-N 2.81Å; K41-V191 HydrophobicContact CB-CB 4.45Å; K41-V191 HydrophobicContact CB-CG1 3.71Å; K41-V191 HydrophobicContact CB-CG2 3.82Å; K41-V191 HydrophobicContact CD-CG1 3.79Å; K41-V191 HydrophobicContact CG-CG1 4.36Å; K41-M207 HydrophobicContact CG-CB 4.5Å; K41-M207 HydrophobicContact CG-SD 4.15Å
42S96.3Very high95.4Very high27 Ų2737.6 Ų37.619%0.18922%0.215CC..Hα-helixtrans-67.2-34.6177.6-52.10000111.7L44 L45 Q46 D161S42-L44 VanDerWaalsContact C-N 3.33Å; S42-L44 PolarHBondContact O-N 3.09Å; S42-L45 PolarHBondContact O-N 2.94Å; S42-Q46 WeakPolarHBondContact O-CG 3.49Å; S42-Q46 PolarHBondContact O-N 3.22Å; S42-D161 WeakPolarHBondContact CB-OD2 3.32Å; S42-D161 PolarHBondContact OG-OD1 2.97Å; S42-D161 PolarHBondContact OG-OD2 2.82Å
43T97Very high95.3Very high13 Ų1341.2 Ų41.28%0.0824%0.235CC..Hα-helixtrans-60.6-43.1173.1-530000111.4F8 Y10 A17 L18 G40 K41 L45 Q46 L47F8-T43 HydrophobicContact CD1-CG2 3.54Å; F8-T43 HydrophobicContact CE1-CG2 3.96Å; Y10-T43 HydrophobicContact CE2-CG2 3.96Å; Y10-T43 WeakPolarHBondContact CE2-OG1 3.41Å; Y10-T43 WeakPolarHBondContact OH-CB 3.49Å; Y10-T43 WeakPolarHBondContact OH-CG2 3.47Å; Y10-T43 PolarHBondContact OH-OG1 3.47Å; A17-T43 HydrophobicContact CB-CG2 3.94Å; L18-T43 HydrophobicContact CD1-CG2 4.32Å; L18-T43 HydrophobicContact CG-CG2 4.17Å; G40-T43 WeakPolarHBondContact O-CB 3.44Å; G40-T43 PolarHBondContact O-N 2.94Å; K41-T43 VanDerWaalsContact C-N 3.31Å; K41-T43 PolarHBondContact O-N 3.05Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 3.31Å; T43-Q46 WeakPolarHBondContact O-CB 3.4Å; T43-Q46 PolarHBondContact O-N 2.62Å; T43-Q46 VanDerWaalsContact O-N 3.15Å; T43-L47 WeakPolarHBondContact O-CG 3.4Å; T43-L47 PolarHBondContact O-N 3.25Å
44L98Very high95.3Very high2 Ų242.8 Ų42.81%0.0125%0.245CC..Hα-helixtrans-55.8-48.7174.8172.961.8000111L3 L18 I21 I33 G40 K41 S42 Q46 L47 L48 M207L3-L44 HydrophobicContact CD2-CD1 3.31Å; L18-L44 HydrophobicContact CD1-CB 4.22Å; L18-L44 HydrophobicContact CD1-CD1 4.4Å; L18-L44 HydrophobicContact CD2-CB 4.41Å; I21-L44 HydrophobicContact CG2-CD1 4.38Å; I33-L44 HydrophobicContact CD1-CD2 3.97Å; G40-L44 PolarHBondContact O-N 2.79Å; K41-L44 WeakPolarHBondContact O-CB 3.3Å; K41-L44 PolarHBondContact O-N 3.47Å; S42-L44 VanDerWaalsContact C-N 3.33Å; S42-L44 PolarHBondContact O-N 3.09Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.26Å; L44-L47 PolarHBondContact O-N 3.49Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.15Å; L44-M207 HydrophobicContact CD2-SD 4Å
45L97.8Very high95.4Very high8 Ų848.3 Ų48.34%0.04227%0.271CS..Hα-helixtrans-62.4-39176.8-59.9-171.6000112.6K41 S42 T43 L47 L48 T49 L159 D161 L189 V191K41-L45 PolarHBondContact O-N 2.81Å; S42-L45 PolarHBondContact O-N 2.94Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 3.31Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 2.8Å; L45-L48 HydrophobicContact CD2-CD1 4.24Å; L45-L48 WeakPolarHBondContact O-CB 3.27Å; L45-L48 PolarHBondContact O-N 2.81Å; L45-L48 VanDerWaalsContact O-N 3.17Å; L45-T49 PolarHBondContact O-N 2.79Å; L45-T49 VanDerWaalsContact O-N 3.16Å; L45-T49 PolarHBondContact O-OG1 2.83Å; L45-L159 HydrophobicContact CD1-CB 4.43Å; L45-L159 HydrophobicContact CD2-CB 4.24Å; L45-L159 HydrophobicContact CD2-CD1 4.45Å; L45-L159 HydrophobicContact CD2-CD2 4.13Å; L45-L159 HydrophobicContact CD2-CG 4.5Å; L45-D161 HydrophobicContact CD1-CB 3.73Å; L45-L189 HydrophobicContact CD2-CB 4.24Å; L45-V191 HydrophobicContact CD1-CG2 3.72Å; L45-V191 HydrophobicContact CD2-CG2 4.49Å; L45-V191 HydrophobicContact CG-CG2 4.04Å
46Q96.8Very high95.6Very high68 Ų6852.8 Ų52.832%0.31829%0.288SS..Hα-helixtrans-62.7-34177.1-74.6174.9-5.300113.3Y10 S42 T43 L44 T49 R50 A51Y10-Q46 PolarHBondContact OH-OE1 3.17Å; S42-Q46 WeakPolarHBondContact O-CG 3.49Å; S42-Q46 PolarHBondContact O-N 3.22Å; T43-Q46 WeakPolarHBondContact O-CB 3.4Å; T43-Q46 PolarHBondContact O-N 2.62Å; T43-Q46 VanDerWaalsContact O-N 3.15Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.26Å; Q46-T49 PolarHBondContact O-OG1 3.1Å; Q46-T49 VanDerWaalsContact O-OG1 3.07Å; Q46-R50 PolarHBondContact O-N 2.97Å; Q46-A51 HydrophobicContact CB-CB 4.1Å; Q46-A51 HydrophobicContact CG-CB 4.43Å; Q46-A51 WeakPolarHBondContact O-CB 3.07Å; Q46-A51 PolarHBondContact O-N 2.76Å
47L97.4Very high96Very high0 Ų047.8 Ų47.80%028%0.282CS..Hα-helixtrans-69.7-38.4173.7-61.4-171.8000111.8V6 F8 L18 T43 L44 L45 T49 R50 W52 P54 I59 I66V6-L47 HydrophobicContact CG1-CD1 3.56Å; F8-L47 HydrophobicContact CB-CD1 3.9Å; F8-L47 HydrophobicContact CB-CD2 4.43Å; F8-L47 HydrophobicContact CD1-CD2 4.42Å; F8-L47 HydrophobicContact CD2-CD2 3.9Å; F8-L47 HydrophobicContact CE2-CD2 4.27Å; F8-L47 HydrophobicContact CG-CD1 4.32Å; F8-L47 HydrophobicContact CG-CD2 3.99Å; L18-L47 HydrophobicContact CD1-CD1 3.5Å; L18-L47 HydrophobicContact CD1-CG 4.37Å; T43-L47 WeakPolarHBondContact O-CG 3.4Å; T43-L47 PolarHBondContact O-N 3.25Å; L44-L47 PolarHBondContact O-N 3.49Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 2.8Å; L47-T49 PolarHBondContact O-N 2.89Å; L47-R50 PolarHBondContact O-N 3.38Å; L47-W52 HydrophobicContact CD2-CB 3.7Å; L47-W52 WeakPolarHBondContact CD2-O 3.47Å; L47-P54 HydrophobicContact CD1-CB 4.37Å; L47-I59 HydrophobicContact CB-CD1 3.68Å; L47-I66 WeakPolarHBondContact O-CD1 3.28Å
48L96.9Very high96.3Very high2 Ų244.6 Ų44.61%0.0126%0.257CS..Hα-helixtrans-63.1-32.5177.2-61.9-178.3000112.5M1 L3 L44 L45 R50 I59 I78 L159 L189M1-L48 HydrophobicContact CE-CD1 3.73Å; M1-L48 HydrophobicContact CE-CD2 4.01Å; M1-L48 HydrophobicContact SD-CD1 3.98Å; M1-L48 HydrophobicContact SD-CD2 3.52Å; M1-L48 VanDerWaalsContact SD-CD2 3.52Å; M1-L48 HydrophobicContact SD-CG 4.26Å; L3-L48 HydrophobicContact CD1-CD2 4.08Å; L3-L48 HydrophobicContact CD2-CD2 4.28Å; L3-L48 HydrophobicContact CG-CD2 4.41Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.15Å; L45-L48 HydrophobicContact CD2-CD1 4.24Å; L45-L48 WeakPolarHBondContact O-CB 3.27Å; L45-L48 PolarHBondContact O-N 2.81Å; L45-L48 VanDerWaalsContact O-N 3.17Å; L48-R50 VanDerWaalsContact C-N 3.31Å; L48-I59 HydrophobicContact CD2-CD1 4.36Å; L48-I59 HydrophobicContact CD2-CG2 3.74Å; L48-I78 WeakPolarHBondContact O-CD1 3.28Å; L48-L159 HydrophobicContact CB-CD1 3.85Å; L48-L159 HydrophobicContact CD1-CD1 4.2Å; L48-L159 HydrophobicContact CD1-CD2 3.88Å; L48-L189 HydrophobicContact CD1-CD2 3.73Å
49T95.6Very high96.7Very high48 Ų4841.2 Ų41.229%0.29422%0.221SC..THydrogen-bonded Turntrans-87.72.3176.661.70000113.4L45 Q46 L47 A51 I78 V80 L159L45-T49 PolarHBondContact O-N 2.79Å; L45-T49 VanDerWaalsContact O-N 3.16Å; L45-T49 PolarHBondContact O-OG1 2.83Å; Q46-T49 PolarHBondContact O-OG1 3.1Å; Q46-T49 VanDerWaalsContact O-OG1 3.07Å; L47-T49 PolarHBondContact O-N 2.89Å; T49-A51 PolarHBondContact O-N 3.38Å; T49-I78 HydrophobicContact CG2-CG2 4.37Å; T49-V80 HydrophobicContact CG2-CG2 3.65Å; T49-L159 HydrophobicContact CG2-CD1 3.68Å
50R95.6Very high96.9Very high60 Ų6041.3 Ų41.323%0.22622%0.222CC..THydrogen-bonded Turntrans50.835.4-170.7-63.3-170.766.5-157.2-10.2114Q46 L47 L48 W52 D53 I66 A67 L74Q46-R50 PolarHBondContact O-N 2.97Å; L47-R50 PolarHBondContact O-N 3.38Å; L48-R50 VanDerWaalsContact C-N 3.31Å; R50-W52 PolarHBondContact O-N 2.85Å; R50-D53 IonicContact CZ-OD1 3.29Å; R50-D53 IonicContact NE-OD1 3.84Å; R50-D53 PolarHBondContact NE-OD1 3.25Å; R50-D53 IonicContact NH2-OD1 2.61Å; R50-D53 PolarHBondContact NH2-OD1 3.29Å; R50-D53 IonicContact NH2-OD2 2.74Å; R50-D53 PolarHBondContact NH2-OD2 2.88Å; R50-I66 VanDerWaalsContact CD-O 3.31Å; R50-I66 WeakPolarHBondContact CD-O 3.44Å; R50-I66 HydrophobicContact CG-CD1 3.72Å; R50-I66 HydrophobicContact CG-CG1 4.02Å; R50-I66 PolarHBondContact NH1-O 3.03Å; R50-A67 PolarHBondContact NH1-O 3Å; R50-L74 HydrophobicContact CB-CD2 4.15Å; R50-L74 HydrophobicContact CG-CD2 3.59Å
51A94.4Very high96.9Very high60 Ų6042.3 Ų42.350%0.49623%0.226SC..SBendtrans-67.3-27.116400000110.5Q46 T49Q46-A51 HydrophobicContact CB-CB 4.1Å; Q46-A51 HydrophobicContact CG-CB 4.43Å; Q46-A51 WeakPolarHBondContact O-CB 3.07Å; Q46-A51 PolarHBondContact O-N 2.76Å; T49-A51 PolarHBondContact O-N 3.38Å
52W96.2Very high96.6Very high104 Ų10447.9 Ų47.939%0.39426%0.256SS..SBendtrans-139.6152.7166-58.489.9000108.9F8 Y10 P11 L47 R50F8-W52 HydrophobicContact CD2-CB 4.49Å; F8-W52 HydrophobicContact CE1-CG 4.42Å; F8-W52 HydrophobicContact CE2-CB 3.62Å; F8-W52 HydrophobicContact CE2-CD2 4.35Å; F8-W52 HydrophobicContact CE2-CE3 4.29Å; F8-W52 HydrophobicContact CE2-CG 4.1Å; F8-W52 HydrophobicContact CZ-CB 3.64Å; F8-W52 AromaticContact CZ-CD2 3.76Å; F8-W52 HydrophobicContact CZ-CD2 3.76Å; F8-W52 AromaticContact CZ-CE3 3.96Å; F8-W52 HydrophobicContact CZ-CE3 3.96Å; F8-W52 AromaticContact CZ-CG 3.62Å; F8-W52 HydrophobicContact CZ-CG 3.62Å; Y10-W52 HydrophobicContact CD1-CZ2 4.2Å; Y10-W52 AromaticContact CE1-CE2 3.97Å; Y10-W52 HydrophobicContact CE1-CZ2 4.4Å; Y10-W52 AromaticContact CE1-NE1 3.64Å; P11-W52 HydrophobicContact CG-CH2 3.88Å; P11-W52 HydrophobicContact CG-CZ3 3.6Å; L47-W52 HydrophobicContact CD2-CB 3.7Å; L47-W52 WeakPolarHBondContact CD2-O 3.47Å; R50-W52 PolarHBondContact O-N 2.85Å
53D96.2Very high96.4Very high77 Ų7752.9 Ų52.941%0.41228%0.281SS..  trans-96.4143.7170.2-69.3-45000109.7F8 R50F8-D53 WeakPolarHBondContact CD2-O 3.38Å; R50-D53 IonicContact CZ-OD1 3.29Å; R50-D53 IonicContact NE-OD1 3.84Å; R50-D53 PolarHBondContact NE-OD1 3.25Å; R50-D53 IonicContact NH2-OD1 2.61Å; R50-D53 PolarHBondContact NH2-OD1 3.29Å; R50-D53 IonicContact NH2-OD2 2.74Å; R50-D53 PolarHBondContact NH2-OD2 2.88Å
54P97.2Very high96.3Very high33 Ų3354.7 Ų54.721%0.21429%0.294CS..  trans-64.5148.6176.829.1-35.7000111.6V6 L47 I59V6-P54 HydrophobicContact CG1-CB 3.97Å; L47-P54 HydrophobicContact CD1-CB 4.37Å; P54-I59 HydrophobicContact CG-CD1 4.43Å
55Q96.9Very high96.3Very high119 Ų11957 Ų5756%0.55631%0.309SS*.SBendtrans-82.7-30.6177.1-68173.7-45.400112.2Q7 F8 T9Q7-Q55 PolarHBondContact O-N 3.42Å; F8-Q55 HydrophobicContact CD2-CG 4.46Å; T9-Q55 VanDerWaalsContact CB-OE1 3.29Å; T9-Q55 PolarHBondContact OG1-OE1 3.05Å
56Q97.7Very high96.2Very high108 Ų10857 Ų5751%0.50531%0.309SS..EExtended strand (participates in β ladder)trans-142.1161170.5-47.3178.113.900109.7V6 Q7V6-Q56 WeakPolarHBondContact CA-O 3.49Å; Q7-Q56 HydrophobicContact CB-CB 3.97Å; Q7-Q56 HydrophobicContact CB-CG 4.44Å; Q7-Q56 HydrophobicContact CG-CB 4.44Å; Q7-Q56 PolarHBondContact N-O 3.17Å; Q7-Q56 PolarHBondContact O-N 3.41Å
57G98Very high96.1Very high41 Ų4156.7 Ų56.742%0.42332%0.318SS..EExtended strand (participates in β ladder)trans77.4-177.4-172.900000112.6R4 D5R4-G57 CarbonylContact O-C 3.53Å; R4-G57 WeakPolarHBondContact O-CA 3.45Å; D5-G57 WeakPolarHBondContact O-CA 3.31Å
58E97.7Very high96Very high72 Ų7260.9 Ų60.934%0.33635%0.347SS..EExtended strand (participates in β ladder)trans-140.6152.6-17961.9177.5159.700111.9R4 V6 L60R4-E58 HydrophobicContact CB-CG 4.05Å; R4-E58 WeakPolarHBondContact CD-OE1 3.37Å; R4-E58 HydrophobicContact CG-CG 4.4Å; R4-E58 IonicContact CZ-OE1 3.25Å; R4-E58 PolarHBondContact N-O 3.12Å; R4-E58 IonicContact NE-OE1 3Å; R4-E58 IonicContact NH1-OE1 3.75Å; R4-E58 PolarHBondContact NH1-OE1 3.05Å; R4-E58 PolarHBondContact O-N 3.44Å; V6-E58 WeakPolarHBondContact CG2-O 3.46Å; E58-L60 HydrophobicContact CG-CD2 4.5Å; E58-L60 HydrophobicContact CG-CG 4.43Å; E58-L60 WeakPolarHBondContact OE2-CD2 3.44Å
59I98.3Very high95.8Very high5 Ų563.4 Ų63.43%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-118.3122.5174.3-54.3170.6000107.5T2 L3 V6 L47 L48 P54 P65 I66T2-I59 CarbonylContact O-C 3.55Å; T2-I59 WeakPolarHBondContact O-CA 3.1Å; L3-I59 HydrophobicContact CG-CG1 4.19Å; L3-I59 HydrophobicContact CG-CG2 4.3Å; V6-I59 HydrophobicContact CG2-CD1 4.47Å; V6-I59 HydrophobicContact CG2-CG1 3.74Å; L47-I59 HydrophobicContact CB-CD1 3.68Å; L48-I59 HydrophobicContact CD2-CD1 4.36Å; L48-I59 HydrophobicContact CD2-CG2 3.74Å; P54-I59 HydrophobicContact CG-CD1 4.43Å; I59-P65 WeakPolarHBondContact O-CA 3.28Å; I59-I66 HydrophobicContact CB-CD1 3.68Å; I59-I66 HydrophobicContact CB-CG1 3.92Å; I59-I66 HydrophobicContact CD1-CD1 4.06Å; I59-I66 HydrophobicContact CG1-CD1 4.46Å; I59-I66 HydrophobicContact CG2-CD1 3.62Å; I59-I66 HydrophobicContact CG2-CG1 4.15Å; I59-I66 HydrophobicContact CG2-CG2 4.22Å; I59-I66 PolarHBondContact O-N 2.94Å
60L97.5Very high95.7Very high5 Ų566.5 Ų66.53%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-112.4132.8-176.6-55.8170.2000110.2M1 T2 R4 E58 S64 P65M1-L60 CarbonylContact C-O 3.55Å; M1-L60 WeakPolarHBondContact CA-O 3.45Å; M1-L60 WeakPolarHBondContact CG-O 3.44Å; T2-L60 PolarHBondContact N-O 3.35Å; T2-L60 PolarHBondContact O-N 3.3Å; R4-L60 VanDerWaalsContact CZ-CD1 3.45Å; E58-L60 HydrophobicContact CG-CD2 4.5Å; E58-L60 HydrophobicContact CG-CG 4.43Å; E58-L60 WeakPolarHBondContact OE2-CD2 3.44Å; L60-S64 CarbonylContact C-O 3.46Å; L60-S64 VanDerWaalsContact CA-O 3.32Å; L60-S64 WeakPolarHBondContact CA-O 3.36Å; L60-P65 HydrophobicContact CD2-CB 4.17Å; L60-P65 HydrophobicContact CD2-CG 3.69Å
61L95.8Very high95.5Very high25 Ų2568.6 Ų68.613%0.13139%0.388CS..EExtended strand (participates in β ladder)trans-113.8118.1166-174.266.6000107.7M1 D63 S64 I66 L69 L74M1-L61 HydrophobicContact CB-CD1 4.22Å; L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.83Å; L61-S64 PolarHBondContact N-O 3.38Å; L61-S64 WeakPolarHBondContact O-CB 3.15Å; L61-S64 PolarHBondContact O-N 3.09Å; L61-I66 HydrophobicContact CB-CG2 3.73Å; L61-L69 HydrophobicContact CB-CD1 4.34Å; L61-L69 HydrophobicContact CD2-CD1 4.32Å; L61-L74 HydrophobicContact CD2-CD1 4.13Å
62N92.1Very high95.4Very high129 Ų12967.8 Ų67.869%0.6938%0.381SS*.THydrogen-bonded Turntrans48.654.2-173.8-56.9-21.4000111.9S64N62-S64 PolarHBondContact O-N 3.41Å; N62-S64 PolarHBondContact O-OG 2.83Å
63D92.3Very high95.3Very high132 Ų13265.1 Ų65.171%0.70638%0.381SS*.THydrogen-bonded Turntrans60.65.1-178.6-54.8-51.7000116.2L61L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.83Å
64S95Very high95.3Very high51 Ų5161.8 Ų61.836%0.35736%0.363SS..EExtended strand (participates in β ladder)trans-104.2128.4177.2-58.20000110.5L60 L61 N62 I66L60-S64 CarbonylContact C-O 3.46Å; L60-S64 VanDerWaalsContact CA-O 3.32Å; L60-S64 WeakPolarHBondContact CA-O 3.36Å; L61-S64 PolarHBondContact N-O 3.38Å; L61-S64 WeakPolarHBondContact O-CB 3.15Å; L61-S64 PolarHBondContact O-N 3.09Å; N62-S64 PolarHBondContact O-N 3.41Å; N62-S64 PolarHBondContact O-OG 2.83Å; S64-I66 PolarHBondContact O-N 3.22Å
65P96.8Very high95.1Very high49 Ų4966.9 Ų66.932%0.31838%0.378SS..EExtended strand (participates in β ladder)trans-55.9125.8174.4-2533.6000111.7I59 L60 A67 S68I59-P65 WeakPolarHBondContact O-CA 3.28Å; L60-P65 HydrophobicContact CD2-CB 4.17Å; L60-P65 HydrophobicContact CD2-CG 3.69Å; P65-A67 PolarHBondContact O-N 3.05Å; P65-A67 VanDerWaalsContact O-N 3.1Å; P65-S68 PolarHBondContact O-N 2.99Å; P65-S68 PolarHBondContact O-OG 3.22Å
66I96.6Very high95Very high8 Ų868 Ų684%0.04138%0.383CS..G310 helixtrans-61.8-25.5179.966.7174.8000111.9L47 R50 I59 L61 S64 S68 L69 L74L47-I66 WeakPolarHBondContact O-CD1 3.28Å; R50-I66 VanDerWaalsContact CD-O 3.31Å; R50-I66 WeakPolarHBondContact CD-O 3.44Å; R50-I66 HydrophobicContact CG-CD1 3.72Å; R50-I66 HydrophobicContact CG-CG1 4.02Å; R50-I66 PolarHBondContact NH1-O 3.03Å; I59-I66 HydrophobicContact CB-CD1 3.68Å; I59-I66 HydrophobicContact CB-CG1 3.92Å; I59-I66 HydrophobicContact CD1-CD1 4.06Å; I59-I66 HydrophobicContact CG1-CD1 4.46Å; I59-I66 HydrophobicContact CG2-CD1 3.62Å; I59-I66 HydrophobicContact CG2-CG1 4.15Å; I59-I66 HydrophobicContact CG2-CG2 4.22Å; I59-I66 PolarHBondContact O-N 2.94Å; L61-I66 HydrophobicContact CB-CG2 3.73Å; S64-I66 PolarHBondContact O-N 3.22Å; I66-S68 VanDerWaalsContact C-N 3.26Å; I66-S68 PolarHBondContact O-N 3.17Å; I66-L69 HydrophobicContact CG2-CD1 4.4Å; I66-L69 PolarHBondContact O-N 3.47Å; I66-L74 HydrophobicContact CB-CD1 4.32Å; I66-L74 HydrophobicContact CB-CD2 4.36Å; I66-L74 HydrophobicContact CG2-CD1 4.23Å
67A94.7Very high94.9Very high63 Ų6364.9 Ų64.952%0.52137%0.372SS..G310 helixtrans-64.6-27.1175.300000113.2R50 P65R50-A67 PolarHBondContact NH1-O 3Å; P65-A67 PolarHBondContact O-N 3.05Å; P65-A67 VanDerWaalsContact O-N 3.1Å
68S94.1Very high94.9Very high88 Ų8863.6 Ų63.662%0.61536%0.355SS*.G310 helixtrans-90.7-9.3176.7690000113.5P65 I66P65-S68 PolarHBondContact O-N 2.99Å; P65-S68 PolarHBondContact O-OG 3.22Å; I66-S68 VanDerWaalsContact C-N 3.26Å; I66-S68 PolarHBondContact O-N 3.17Å
69L93.2Very high94.9Very high54 Ų5460.2 Ų60.228%0.28334%0.34SS..SBendtrans-77.8146.7177.7-59.7-179.8000111.2L61 I66 E71 L74L61-L69 HydrophobicContact CB-CD1 4.34Å; L61-L69 HydrophobicContact CD2-CD1 4.32Å; I66-L69 HydrophobicContact CG2-CD1 4.4Å; I66-L69 PolarHBondContact O-N 3.47Å; L69-E71 PolarHBondContact O-N 3.15Å; L69-L74 HydrophobicContact CD1-CD1 4.3Å
70N93.3Very high94.8Very high113 Ų11362.6 Ų62.660%0.60435%0.354SS*.  trans-61.3131.2167.6179.6-75.5000109.6A72 A73 L74N70-A72 VanDerWaalsContact C-N 3.3Å; N70-A72 PolarHBondContact O-N 3.43Å; N70-A72 WeakPolarHBondContact OD1-CA 3.37Å; N70-A72 VanDerWaalsContact OD1-CB 3.27Å; N70-A72 WeakPolarHBondContact OD1-CB 3.37Å; N70-A72 PolarHBondContact OD1-N 3.43Å; N70-A73 HydrophobicContact CB-CB 4.17Å; N70-A73 WeakPolarHBondContact O-CB 3.14Å; N70-A73 PolarHBondContact O-N 3.14Å; N70-A73 VanDerWaalsContact O-N 3.12Å; N70-A73 PolarHBondContact OD1-N 3.35Å; N70-L74 PolarHBondContact O-N 2.78Å
71E92.3Very high94.8Very high105 Ų10562.4 Ų62.449%0.49135%0.353SS..Hα-helixtrans-62.1-34.1-175.8-64.3-176.9-169.900114.1L69 A73 L74 R75L69-E71 PolarHBondContact O-N 3.15Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-L74 PolarHBondContact O-N 3.04Å; E71-R75 WeakPolarHBondContact O-CB 3.35Å; E71-R75 WeakPolarHBondContact O-CG 3.41Å; E71-R75 PolarHBondContact O-N 2.86Å; E71-R75 IonicContact OE2-CZ 2.82Å; E71-R75 IonicContact OE2-NH1 3.31Å; E71-R75 PolarHBondContact OE2-NH1 3.38Å; E71-R75 IonicContact OE2-NH2 3.88Å
72A92.7Very high94.8Very high42 Ų4263.4 Ų63.435%0.34736%0.361SS..Hα-helixtrans-67.3-40.3177.300000110.7N70 R75 Q76N70-A72 VanDerWaalsContact C-N 3.3Å; N70-A72 PolarHBondContact O-N 3.43Å; N70-A72 WeakPolarHBondContact OD1-CA 3.37Å; N70-A72 VanDerWaalsContact OD1-CB 3.27Å; N70-A72 WeakPolarHBondContact OD1-CB 3.37Å; N70-A72 PolarHBondContact OD1-N 3.43Å; A72-R75 PolarHBondContact O-N 3.19Å; A72-Q76 WeakPolarHBondContact O-CG 3.43Å; A72-Q76 PolarHBondContact O-N 3.25Å
73A92.7Very high94.7Very high49 Ų4960.7 Ų60.741%0.40534%0.344SS..Hα-helixtrans-63.9-44.4173.500000111.2N70 E71 R75 Q76 T77N70-A73 HydrophobicContact CB-CB 4.17Å; N70-A73 WeakPolarHBondContact O-CB 3.14Å; N70-A73 PolarHBondContact O-N 3.14Å; N70-A73 VanDerWaalsContact O-N 3.12Å; N70-A73 PolarHBondContact OD1-N 3.35Å; E71-A73 VanDerWaalsContact C-N 3.34Å; A73-R75 PolarHBondContact O-N 2.82Å; A73-Q76 PolarHBondContact O-N 3.45Å; A73-T77 WeakPolarHBondContact O-CG2 3.25Å; A73-T77 PolarHBondContact O-N 3.25Å
74L95.6Very high94.6Very high6 Ų664.9 Ų64.93%0.03135%0.35CS..Hα-helixtrans-59.9-47.9175.6-177.765.5000111.3R50 L61 I66 L69 N70 E71 Q76 T77 I78R50-L74 HydrophobicContact CB-CD2 4.15Å; R50-L74 HydrophobicContact CG-CD2 3.59Å; L61-L74 HydrophobicContact CD2-CD1 4.13Å; I66-L74 HydrophobicContact CB-CD1 4.32Å; I66-L74 HydrophobicContact CB-CD2 4.36Å; I66-L74 HydrophobicContact CG2-CD1 4.23Å; L69-L74 HydrophobicContact CD1-CD1 4.3Å; N70-L74 PolarHBondContact O-N 2.78Å; E71-L74 PolarHBondContact O-N 3.04Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.25Å; L74-T77 PolarHBondContact O-N 2.66Å; L74-T77 PolarHBondContact O-OG1 2.79Å; L74-I78 HydrophobicContact CD1-CD1 3.81Å; L74-I78 HydrophobicContact CD1-CG1 4.46Å; L74-I78 HydrophobicContact CG-CD1 4.17Å; L74-I78 PolarHBondContact O-N 3Å
75R94.5Very high94.4Very high141 Ų14163.9 Ų63.953%0.53234%0.342SS..Hα-helixtrans-56.9-42.8178.1-78.7-172.7-68.6-94.6-0.1112E71 A72 A73 T77 I78 H153E71-R75 WeakPolarHBondContact O-CB 3.35Å; E71-R75 WeakPolarHBondContact O-CG 3.41Å; E71-R75 PolarHBondContact O-N 2.86Å; E71-R75 IonicContact OE2-CZ 2.82Å; E71-R75 IonicContact OE2-NH1 3.31Å; E71-R75 PolarHBondContact OE2-NH1 3.38Å; E71-R75 IonicContact OE2-NH2 3.88Å; A72-R75 PolarHBondContact O-N 3.19Å; A73-R75 PolarHBondContact O-N 2.82Å; R75-T77 PolarHBondContact O-N 2.86Å; R75-I78 PolarHBondContact O-N 2.65Å; R75-I78 VanDerWaalsContact O-N 3.16Å; R75-H153 PolarHBondContact O-CE1 3.05Å; R75-H153 PolarHBondContact O-NE2 3.35Å
76Q94.3Very high94.1Very high141 Ų14167 Ų6766%0.65935%0.352SS*.Hα-helixtrans-61.9-23.5176.2-73.3173.2-4.600113.7A72 A73 L74 A155A72-Q76 WeakPolarHBondContact O-CG 3.43Å; A72-Q76 PolarHBondContact O-N 3.25Å; A73-Q76 PolarHBondContact O-N 3.45Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.25Å; Q76-A155 WeakPolarHBondContact O-CB 3.46Å
77T95.9Very high93.9Very high44 Ų4466.7 Ų66.727%0.2735%0.35SS..Hα-helixtrans-86.8-10.6179.363.70000114.2A73 L74 R75 A155 L157A73-T77 WeakPolarHBondContact O-CG2 3.25Å; A73-T77 PolarHBondContact O-N 3.25Å; L74-T77 PolarHBondContact O-N 2.66Å; L74-T77 PolarHBondContact O-OG1 2.79Å; R75-T77 PolarHBondContact O-N 2.86Å; T77-A155 VanDerWaalsContact C-CB 3.5Å; T77-L157 WeakPolarHBondContact O-CB 3.17Å; T77-L157 PolarHBondContact O-N 3.24Å; T77-L157 VanDerWaalsContact O-N 3.16Å
78I97.3Very high93.8Very high14 Ų1468.5 Ų68.57%0.07235%0.347CS..EExtended strand (participates in β ladder)trans-129.5117.1-171.1-48.1-175.9000112.2L48 T49 L74 R75 V80 H153 L157 L159L48-I78 WeakPolarHBondContact O-CD1 3.28Å; T49-I78 HydrophobicContact CG2-CG2 4.37Å; L74-I78 HydrophobicContact CD1-CD1 3.81Å; L74-I78 HydrophobicContact CD1-CG1 4.46Å; L74-I78 HydrophobicContact CG-CD1 4.17Å; L74-I78 PolarHBondContact O-N 3Å; R75-I78 PolarHBondContact O-N 2.65Å; R75-I78 VanDerWaalsContact O-N 3.16Å; I78-V80 HydrophobicContact CG2-CG2 3.79Å; I78-H153 PolarHBondContact O-CE1 3.4Å; I78-H153 PolarHBondContact O-ND1 3.05Å; I78-L157 CarbonylContact C-O 3.56Å; I78-L157 WeakPolarHBondContact CA-O 3.47Å; I78-L157 HydrophobicContact CD1-CD2 4.17Å; I78-L157 HydrophobicContact CG1-CB 4.46Å; I78-L157 HydrophobicContact CG1-CD2 4.07Å; I78-L157 HydrophobicContact CG2-CG 4.47Å; I78-L159 HydrophobicContact CG2-CD1 3.62Å; I78-L159 HydrophobicContact CG2-CG 3.72Å
79S97.7Very high93.9Very high1 Ų167.2 Ų67.21%0.00734%0.338CS..EExtended strand (participates in β ladder)trans-92.7134.3167.4-80.90000109.3A150 H153 D154 A155 L157 V158 L159S79-A150 PolarHBondContact OG-O 2.83Å; S79-H153 PolarHBondContact OG-ND1 3.15Å; S79-D154 PolarHBondContact OG-N 3.31Å; S79-A155 WeakPolarHBondContact OG-CB 3.35Å; S79-A155 PolarHBondContact OG-N 3.1Å; S79-L157 PolarHBondContact N-O 2.86Å; S79-V158 CarbonylContact O-C 3.57Å; S79-V158 WeakPolarHBondContact O-CA 3.39Å; S79-L159 PolarHBondContact O-N 3.21Å
80V97.1Very high93.9Very high55 Ų5565.5 Ų65.533%0.33333%0.331SS..EExtended strand (participates in β ladder)trans-128.3129.4-174.9-171.90000110.7T49 I78 P82 L159T49-V80 HydrophobicContact CG2-CG2 3.65Å; I78-V80 HydrophobicContact CG2-CG2 3.79Å; V80-P82 HydrophobicContact CG1-CB 4.44Å; V80-P82 WeakPolarHBondContact O-CD 3.44Å; V80-L159 CarbonylContact C-O 3.59Å; V80-L159 WeakPolarHBondContact CA-O 3.37Å; V80-L159 HydrophobicContact CG1-CB 4.48Å; V80-L159 HydrophobicContact CG2-CB 4.41Å; V80-L159 HydrophobicContact CG2-CD1 4.43Å
81V96.7Very high94.1Very high0 Ų061.2 Ų61.20%031%0.309CS..EExtended strand (participates in β ladder)trans-106.696.6162.3-179.40000107.2A146 I147 A150 L159 L160 D161 P163V81-A146 HydrophobicContact CG1-CB 4.41Å; V81-I147 HydrophobicContact CG1-CG1 3.99Å; V81-I147 HydrophobicContact CG2-CG1 4.18Å; V81-A150 HydrophobicContact CG2-CB 3.49Å; V81-A150 VanDerWaalsContact CG2-CB 3.49Å; V81-L159 PolarHBondContact N-O 3.31Å; V81-L160 HydrophobicContact CB-CD2 3.73Å; V81-L160 HydrophobicContact CG2-CD2 3.51Å; V81-D161 PolarHBondContact O-N 3.35Å; V81-P163 HydrophobicContact CG1-CB 4.14Å
82P95.1Very high94.3Very high47 Ų4756.2 Ų56.231%0.30529%0.286SS..  trans-77.2156.3-174.632.6-36.5000111.6V80 R84 R143V80-P82 HydrophobicContact CG1-CB 4.44Å; V80-P82 WeakPolarHBondContact O-CD 3.44Å; P82-R84 VanDerWaalsContact C-N 3.31Å; P82-R84 WeakPolarHBondContact CG-O 3.49Å; P82-R84 PolarHBondContact O-N 2.89Å; P82-R143 PolarHBondContact O-NH1 2.86Å
83Q91.6Very high94.6Very high72 Ų7256.6 Ų56.634%0.33628%0.278SS..SBendtrans-61.5-41175.9-172.4-176.528.600111.6R143 D161 E165Q83-R143 PolarHBondContact O-NH2 3.39Å; Q83-D161 HydrophobicContact CB-CB 4.18Å; Q83-E165 PolarHBondContact NE2-OE2 3.29Å
84R89.8Confident94.8Very high220 Ų22057.8 Ų57.883%0.8328%0.278SS*.SBendtrans-106.6119.1173.8-66.8-176.1-178.4179.70.3109.6P82P82-R84 VanDerWaalsContact C-N 3.31Å; P82-R84 WeakPolarHBondContact CG-O 3.49Å; P82-R84 PolarHBondContact O-N 2.89Å
85V91.2Very high94.9Very high30 Ų3057.5 Ų57.518%0.18228%0.276CS..  trans-86.7123.4178.4-175.40000109.1L87 L142 A146V85-L87 HydrophobicContact CG1-CD2 4.26Å; V85-L87 HydrophobicContact CG1-CG 4.46Å; V85-L142 HydrophobicContact CB-CB 4.43Å; V85-A146 HydrophobicContact CB-CB 4.28Å; V85-A146 HydrophobicContact CG1-CB 3.84Å; V85-A146 HydrophobicContact CG2-CB 3.45Å; V85-A146 VanDerWaalsContact CG2-CB 3.45Å
86H90.5Very high95Very high114 Ų11450.8 Ų50.853%0.52825%0.251SS..  trans-103129.9171.7-174.672.5000110.3R149H86-R149 PolarHBondContact O-NH1 3.02Å; H86-R149 VanDerWaalsContact O-NH1 3.08Å
87L92.5Very high95.2Very high1 Ų146 Ų461%0.00523%0.23CC..  trans-116.2139172.9-61.3179000109.5V85 N95 L130 G133 L137 L142 L145V85-L87 HydrophobicContact CG1-CD2 4.26Å; V85-L87 HydrophobicContact CG1-CG 4.46Å; L87-N95 WeakPolarHBondContact CA-OD1 3.39Å; L87-N95 HydrophobicContact CD2-CB 4.45Å; L87-L130 HydrophobicContact CD1-CD1 4.03Å; L87-G133 PolarHBondContact O-N 3.33Å; L87-L137 HydrophobicContact CD1-CD1 3.98Å; L87-L142 HydrophobicContact CD1-CD2 3.29Å; L87-L142 HydrophobicContact CG-CD2 4.11Å; L87-L145 HydrophobicContact CD1-CD2 3.81Å; L87-L145 HydrophobicContact CD2-CD2 3.67Å; L87-L145 HydrophobicContact CD2-CG 4.4Å; L87-L145 HydrophobicContact CG-CD2 4.4Å
88F92.6Very high95.1Very high101 Ų10148.4 Ų48.444%0.44324%0.24SC..  trans-78.5146.8174.1-65.8-91000109.1A90 N95 L98F88-A90 HydrophobicContact CB-CB 4.35Å; F88-A90 PolarHBondContact O-N 2.8Å; F88-N95 PolarHBondContact N-OD1 2.8Å; F88-N95 PolarHBondContact O-ND2 2.87Å; F88-L98 HydrophobicContact CD2-CD1 3.18Å; F88-L98 HydrophobicContact CE2-CD1 3.34Å; F88-L98 HydrophobicContact CG-CD1 4.15Å; F88-L98 HydrophobicContact CZ-CD1 4.4Å
89S94.4Very high95.1Very high62 Ų6248.5 Ų48.543%0.43424%0.243SC..SBendtrans-69.779.4169.8-177.90000109.5W129S89-W129 WeakPolarHBondContact O-CH2 3.42Å; S89-W129 VanDerWaalsContact O-CZ2 3.27Å; S89-W129 WeakPolarHBondContact O-CZ2 3.45Å; S89-W129 VanDerWaalsContact OG-CZ2 3.26Å; S89-W129 WeakPolarHBondContact OG-CZ2 3.41Å
90A95.2Very high95Very high17 Ų1749.8 Ų49.814%0.1425%0.253CS..SBendtrans-151.4-177.6-174.600000109.6F88 D94 W129 L130F88-A90 HydrophobicContact CB-CB 4.35Å; F88-A90 PolarHBondContact O-N 2.8Å; A90-D94 HydrophobicContact CB-CB 3.74Å; A90-W129 VanDerWaalsContact CA-CZ3 3.46Å; A90-L130 PolarHBondContact O-N 3.16Å; A90-L130 VanDerWaalsContact O-N 3.12Å
91T96.4Very high94.9Very high23 Ų2352.5 Ų52.514%0.14127%0.271CS..BIsolated β-bridgetrans-69162174.467.10000111.5R93 D94 N95 S128 W129T91-R93 PolarHBondContact O-N 3.46Å; T91-D94 WeakPolarHBondContact CB-OD2 3.38Å; T91-D94 PolarHBondContact N-OD2 3.46Å; T91-D94 PolarHBondContact O-N 3.11Å; T91-D94 PolarHBondContact OG1-N 2.94Å; T91-D94 PolarHBondContact OG1-OD2 3.1Å; T91-N95 PolarHBondContact O-N 3.36Å; T91-N95 VanDerWaalsContact O-N 3.09Å; T91-N95 PolarHBondContact O-ND2 3Å; T91-S128 CarbonylContact C-O 3.55Å; T91-S128 VanDerWaalsContact CA-O 3.3Å; T91-S128 WeakPolarHBondContact CA-O 3.47Å; T91-W129 HydrophobicContact CG2-CE3 4.23Å
92L97Very high94.8Very high0 Ų056.2 Ų56.20%031%0.309CS..Hα-helixtrans-56-42.7169.3176.959.3000111D94 N95 L96 L112 L120 L126 S128 L130 L145L92-D94 PolarHBondContact O-N 3.4Å; L92-N95 PolarHBondContact O-N 3.22Å; L92-L96 HydrophobicContact CD1-CD1 4.22Å; L92-L96 HydrophobicContact CD1-CG 4.39Å; L92-L96 HydrophobicContact CG-CD1 4.2Å; L92-L96 WeakPolarHBondContact O-CG 3.16Å; L92-L96 PolarHBondContact O-N 3.33Å; L92-L96 VanDerWaalsContact O-N 3.12Å; L92-L112 HydrophobicContact CD1-CD2 4.49Å; L92-L112 HydrophobicContact CD2-CD1 3.77Å; L92-L112 HydrophobicContact CG-CD1 4.33Å; L92-L120 HydrophobicContact CD2-CB 3.79Å; L92-L120 HydrophobicContact CD2-CD1 4.38Å; L92-L126 HydrophobicContact CD2-CD2 4.39Å; L92-L126 HydrophobicContact CG-CD2 4.42Å; L92-S128 PolarHBondContact N-O 3.15Å; L92-L130 HydrophobicContact CB-CD1 4.41Å; L92-L130 HydrophobicContact CB-CD2 4.36Å; L92-L130 HydrophobicContact CB-CG 4.41Å; L92-L130 HydrophobicContact CD1-CD1 4.09Å; L92-L145 HydrophobicContact CD1-CD1 3.81Å; L92-L145 HydrophobicContact CD1-CD2 4.17Å
93R98Very high94.9Very high50 Ų5055.3 Ų55.319%0.18930%0.304CS..Hα-helixtrans-54.1-54.1173.7-170.5-176-67.5102.2-1.5111.4T91 N95 L96 L97 D105 L108 L126 N127T91-R93 PolarHBondContact O-N 3.46Å; R93-N95 VanDerWaalsContact C-N 3.3Å; R93-N95 PolarHBondContact O-N 3.37Å; R93-L96 PolarHBondContact O-N 3.27Å; R93-L96 VanDerWaalsContact O-N 3.07Å; R93-L97 HydrophobicContact CG-CD1 3.71Å; R93-L97 HydrophobicContact CG-CG 4.04Å; R93-L97 WeakPolarHBondContact O-CG 3.04Å; R93-L97 PolarHBondContact O-N 2.95Å; R93-D105 IonicContact CZ-OD1 3.7Å; R93-D105 IonicContact CZ-OD2 3.5Å; R93-D105 IonicContact NE-OD1 2.81Å; R93-D105 PolarHBondContact NE-OD1 2.88Å; R93-D105 IonicContact NE-OD2 3.39Å; R93-D105 PolarHBondContact NE-OD2 3.41Å; R93-D105 IonicContact NH2-OD1 3.73Å; R93-D105 IonicContact NH2-OD2 2.79Å; R93-D105 PolarHBondContact NH2-OD2 3.41Å; R93-L108 HydrophobicContact CG-CD1 3.77Å; R93-L126 HydrophobicContact CB-CB 4.18Å; R93-L126 WeakPolarHBondContact CB-O 3.43Å; R93-L126 PolarHBondContact N-O 3.03Å; R93-N127 PolarHBondContact NH1-OD1 2.78Å; R93-N127 PolarHBondContact NH2-OD1 3.07Å
94D97.2Very high95.3Very high74 Ų7454.5 Ų54.540%0.39631%0.307SS..Hα-helixtrans-60.3-42.7-175.9-60.8-38.5000111.3A90 T91 L92 L96 L97 L98A90-D94 HydrophobicContact CB-CB 3.74Å; T91-D94 WeakPolarHBondContact CB-OD2 3.38Å; T91-D94 PolarHBondContact N-OD2 3.46Å; T91-D94 PolarHBondContact O-N 3.11Å; T91-D94 PolarHBondContact OG1-N 2.94Å; T91-D94 PolarHBondContact OG1-OD2 3.1Å; L92-D94 PolarHBondContact O-N 3.4Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.27Å; D94-L97 PolarHBondContact O-N 3.48Å; D94-L98 WeakPolarHBondContact O-CG 3.34Å; D94-L98 PolarHBondContact O-N 3.26Å; D94-L98 VanDerWaalsContact O-N 3.15Å
95N96.9Very high95.7Very high0 Ų047 Ų470%028%0.283CS..Hα-helixtrans-62.4-33.5177.6-85.5-83.1000113.2L87 F88 T91 L92 R93 L130 R149L87-N95 WeakPolarHBondContact CA-OD1 3.39Å; L87-N95 HydrophobicContact CD2-CB 4.45Å; F88-N95 PolarHBondContact N-OD1 2.8Å; F88-N95 PolarHBondContact O-ND2 2.87Å; T91-N95 PolarHBondContact O-N 3.36Å; T91-N95 VanDerWaalsContact O-N 3.09Å; T91-N95 PolarHBondContact O-ND2 3Å; L92-N95 PolarHBondContact O-N 3.22Å; R93-N95 VanDerWaalsContact C-N 3.3Å; R93-N95 PolarHBondContact O-N 3.37Å; N95-L130 HydrophobicContact CB-CD1 4.33Å; N95-R149 PolarHBondContact O-NE 3.29Å
96L98.1Very high96Very high0 Ų051.9 Ų51.90%030%0.304CS..Hα-helixtrans-77.8-41.7175.4-68.8170.1000112.1L92 R93 D94 L98 A99 S100 L108 L112 L126 L145 A148 R149 L152L92-L96 HydrophobicContact CD1-CD1 4.22Å; L92-L96 HydrophobicContact CD1-CG 4.39Å; L92-L96 HydrophobicContact CG-CD1 4.2Å; L92-L96 WeakPolarHBondContact O-CG 3.16Å; L92-L96 PolarHBondContact O-N 3.33Å; L92-L96 VanDerWaalsContact O-N 3.12Å; R93-L96 PolarHBondContact O-N 3.27Å; R93-L96 VanDerWaalsContact O-N 3.07Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.27Å; L96-L98 PolarHBondContact O-N 3.43Å; L96-A99 WeakPolarHBondContact O-CB 3.35Å; L96-A99 PolarHBondContact O-N 2.97Å; L96-S100 PolarHBondContact O-N 3.24Å; L96-L108 HydrophobicContact CB-CD1 4.37Å; L96-L108 HydrophobicContact CB-CD2 3.79Å; L96-L108 HydrophobicContact CD1-CB 4.14Å; L96-L108 HydrophobicContact CD1-CD2 4.29Å; L96-L112 HydrophobicContact CD1-CD1 3.91Å; L96-L112 HydrophobicContact CD1-CD2 4.28Å; L96-L112 HydrophobicContact CD1-CG 4.1Å; L96-L126 HydrophobicContact CD1-CD2 4.2Å; L96-L145 HydrophobicContact CD2-CD1 3.62Å; L96-L145 HydrophobicContact CG-CD1 4.29Å; L96-A148 HydrophobicContact CD2-CB 4.28Å; L96-R149 HydrophobicContact CD2-CG 4.31Å; L96-L152 HydrophobicContact CB-CD1 3.99Å; L96-L152 HydrophobicContact CD2-CD1 3.85Å; L96-L152 HydrophobicContact CG-CD1 4.47Å
97L98Very high96.4Very high41 Ų4148.4 Ų48.422%0.21530%0.295CS..Hα-helixtrans-63-22.4178.8-72.4179.4000112.8R93 D94 A99 S100 P101 L108R93-L97 HydrophobicContact CG-CD1 3.71Å; R93-L97 HydrophobicContact CG-CG 4.04Å; R93-L97 WeakPolarHBondContact O-CG 3.04Å; R93-L97 PolarHBondContact O-N 2.95Å; D94-L97 PolarHBondContact O-N 3.48Å; L97-A99 PolarHBondContact O-N 3.47Å; L97-S100 WeakPolarHBondContact CD2-O 3.49Å; L97-S100 CarbonylContact O-C 3.19Å; L97-S100 PolarHBondContact O-N 3.26Å; L97-P101 VanDerWaalsContact O-CA 3.24Å; L97-P101 WeakPolarHBondContact O-CA 3.46Å; L97-P101 WeakPolarHBondContact O-CD 3.33Å; L97-P101 WeakPolarHBondContact O-CG 3.46Å; L97-L108 HydrophobicContact CD2-CD1 4.05Å; L97-L108 HydrophobicContact CG-CD1 4.2Å
98L94.9Very high96.7Very high94 Ų9448.4 Ų48.449%0.49230%0.295SS..THydrogen-bonded Turntrans-57.2-30.8169.1-70.7172.6000113.3F88 D94 L96F88-L98 HydrophobicContact CD2-CD1 3.18Å; F88-L98 HydrophobicContact CE2-CD1 3.34Å; F88-L98 HydrophobicContact CG-CD1 4.15Å; F88-L98 HydrophobicContact CZ-CD1 4.4Å; D94-L98 WeakPolarHBondContact O-CG 3.34Å; D94-L98 PolarHBondContact O-N 3.26Å; D94-L98 VanDerWaalsContact O-N 3.15Å; L96-L98 PolarHBondContact O-N 3.43Å
99A95.8Very high96.9Very high16 Ų1644.6 Ų44.613%0.13228%0.281CS..THydrogen-bonded Turntrans-87.1-29.5177.100000112.6L96 L97 R149 L152 H153L96-A99 WeakPolarHBondContact O-CB 3.35Å; L96-A99 PolarHBondContact O-N 2.97Å; L97-A99 PolarHBondContact O-N 3.47Å; A99-R149 HydrophobicContact CB-CB 3.83Å; A99-R149 HydrophobicContact CB-CG 4.13Å; A99-R149 VanDerWaalsContact CB-O 3.31Å; A99-R149 WeakPolarHBondContact CB-O 3.01Å; A99-L152 HydrophobicContact CB-CB 4.18Å; A99-H153 HydrophobicContact CB-CB 4.36Å
100S96.2Very high97.1Very high29 Ų2945.9 Ų45.920%0.20328%0.28CS..  trans-149.987.2-179.8-174.10000111L96 L97 G102 S103L96-S100 PolarHBondContact O-N 3.24Å; L97-S100 WeakPolarHBondContact CD2-O 3.49Å; L97-S100 CarbonylContact O-C 3.19Å; L97-S100 PolarHBondContact O-N 3.26Å; S100-G102 PolarHBondContact O-N 3.42Å; S100-G102 VanDerWaalsContact O-N 3.08Å; S100-S103 VanDerWaalsContact CB-OG 3.24Å; S100-S103 WeakPolarHBondContact CB-OG 3.44Å; S100-S103 WeakPolarHBondContact O-CB 3.46Å; S100-S103 PolarHBondContact O-N 2.65Å; S100-S103 VanDerWaalsContact O-N 3.15Å; S100-S103 PolarHBondContact OG-OG 3.37Å
101P95.2Very high97.3Very high111 Ų11145.5 Ų45.572%0.72128%0.275SS*.THydrogen-bonded Turntrans-61.8-20.4-171.2-27.335.1000115.6L97L97-P101 VanDerWaalsContact O-CA 3.24Å; L97-P101 WeakPolarHBondContact O-CA 3.46Å; L97-P101 WeakPolarHBondContact O-CD 3.33Å; L97-P101 WeakPolarHBondContact O-CG 3.46Å
102G94.6Very high97.4Very high78 Ų7844.4 Ų44.480%0.80427%0.269SS*.THydrogen-bonded Turntrans-100.57-179.200000114.8S100S100-G102 PolarHBondContact O-N 3.42Å; S100-G102 VanDerWaalsContact O-N 3.08Å
103S97.8Very high97.4Very high28 Ų2849.8 Ų49.820%0.19629%0.289CS..  trans-71.2137.7-179-74.70000112.1S100S100-S103 VanDerWaalsContact CB-OG 3.24Å; S100-S103 WeakPolarHBondContact CB-OG 3.44Å; S100-S103 WeakPolarHBondContact O-CB 3.46Å; S100-S103 PolarHBondContact O-N 2.65Å; S100-S103 VanDerWaalsContact O-N 3.15Å; S100-S103 PolarHBondContact OG-OG 3.37Å
104S98.3Very high97.4Very high56 Ų5652 Ų5239%0.39230%0.298SS..  trans-77.1159.4172.982.60000111.8E106 A107 L108S104-E106 WeakPolarHBondContact CB-OE2 3.45Å; S104-E106 PolarHBondContact O-N 3.3Å; S104-E106 PolarHBondContact OG-N 3.14Å; S104-E106 PolarHBondContact OG-OE2 2.94Å; S104-A107 WeakPolarHBondContact O-CB 3.34Å; S104-A107 PolarHBondContact O-N 3.16Å; S104-A107 PolarHBondContact OG-N 2.89Å; S104-L108 WeakPolarHBondContact O-CG 3.44Å; S104-L108 PolarHBondContact O-N 3.07Å
105D98.3Very high97.3Very high61 Ų6148.6 Ų48.633%0.32628%0.279SS..Hα-helixtrans-57.8-31.4176.6-83.711.8000112R93 S109 L126R93-D105 IonicContact CZ-OD1 3.7Å; R93-D105 IonicContact CZ-OD2 3.5Å; R93-D105 IonicContact NE-OD1 2.81Å; R93-D105 PolarHBondContact NE-OD1 2.88Å; R93-D105 IonicContact NE-OD2 3.39Å; R93-D105 PolarHBondContact NE-OD2 3.41Å; R93-D105 IonicContact NH2-OD1 3.73Å; R93-D105 IonicContact NH2-OD2 2.79Å; R93-D105 PolarHBondContact NH2-OD2 3.41Å; D105-S109 VanDerWaalsContact O-CB 3.27Å; D105-S109 WeakPolarHBondContact O-CB 3.49Å; D105-S109 PolarHBondContact O-N 3.25Å; D105-S109 PolarHBondContact O-OG 2.86Å; D105-L126 HydrophobicContact CB-CD1 3.58Å
106E98.3Very high97.3Very high134 Ų13449.9 Ų49.963%0.62629%0.292SS*.Hα-helixtrans-65.8-44.4174-59.872.8-157.600111.7S104 S109 E110S104-E106 WeakPolarHBondContact CB-OE2 3.45Å; S104-E106 PolarHBondContact O-N 3.3Å; S104-E106 PolarHBondContact OG-N 3.14Å; S104-E106 PolarHBondContact OG-OE2 2.94Å; E106-S109 PolarHBondContact O-N 3.26Å; E106-E110 WeakPolarHBondContact O-CB 3.49Å; E106-E110 PolarHBondContact O-N 3.13Å
107A98.3Very high97.3Very high41 Ų4150 Ų5034%0.33929%0.293SS..Hα-helixtrans-65.9-40.8177.300000111.5S104 E110 I111S104-A107 WeakPolarHBondContact O-CB 3.34Å; S104-A107 PolarHBondContact O-N 3.16Å; S104-A107 PolarHBondContact OG-N 2.89Å; A107-E110 PolarHBondContact O-N 3.37Å; A107-I111 PolarHBondContact O-N 3.42Å
108L98.6Very high97.2Very high0 Ų052.6 Ų52.60%030%0.304CS..Hα-helixtrans-63.7-42.1174.7-63.3-172.9000111.7R93 L96 L97 S104 I111 L112 L126 L152R93-L108 HydrophobicContact CG-CD1 3.77Å; L96-L108 HydrophobicContact CB-CD1 4.37Å; L96-L108 HydrophobicContact CB-CD2 3.79Å; L96-L108 HydrophobicContact CD1-CB 4.14Å; L96-L108 HydrophobicContact CD1-CD2 4.29Å; L97-L108 HydrophobicContact CD2-CD1 4.05Å; L97-L108 HydrophobicContact CG-CD1 4.2Å; S104-L108 WeakPolarHBondContact O-CG 3.44Å; S104-L108 PolarHBondContact O-N 3.07Å; L108-I111 VanDerWaalsContact O-CG2 3.24Å; L108-I111 WeakPolarHBondContact O-CG2 3.47Å; L108-I111 PolarHBondContact O-N 3.28Å; L108-L112 WeakPolarHBondContact O-CG 3.43Å; L108-L112 PolarHBondContact O-N 3.21Å; L108-L126 HydrophobicContact CB-CD1 4.19Å; L108-L126 HydrophobicContact CB-CD2 4.03Å; L108-L126 HydrophobicContact CD1-CD1 4.49Å; L108-L152 HydrophobicContact CD2-CD1 3.75Å; L108-L152 HydrophobicContact CD2-CD2 4.08Å
109S98.5Very high97.2Very high21 Ų2155.1 Ų55.115%0.14731%0.311CS..Hα-helixtrans-68-37.8177.6-58.60000112D105 E106 L112 R113D105-S109 VanDerWaalsContact O-CB 3.27Å; D105-S109 WeakPolarHBondContact O-CB 3.49Å; D105-S109 PolarHBondContact O-N 3.25Å; D105-S109 PolarHBondContact O-OG 2.86Å; E106-S109 PolarHBondContact O-N 3.26Å; S109-L112 PolarHBondContact O-N 2.95Å; S109-R113 PolarHBondContact O-N 3.5Å; S109-R113 VanDerWaalsContact O-N 3.07Å; S109-R113 PolarHBondContact O-NH1 3.35Å
110E98.2Very high97.2Very high89 Ų8955.8 Ų55.842%0.41631%0.312SS..Hα-helixtrans-64.5-42.6176.1-176.455.2-153.500111.7E106 A107 L112 R113 R114E106-E110 WeakPolarHBondContact O-CB 3.49Å; E106-E110 PolarHBondContact O-N 3.13Å; A107-E110 PolarHBondContact O-N 3.37Å; E110-L112 VanDerWaalsContact C-N 3.29Å; E110-L112 PolarHBondContact O-N 3.07Å; E110-R113 VanDerWaalsContact CA-NH2 3.29Å; E110-R113 PolarHBondContact O-N 3.44Å; E110-R113 IonicContact OE2-CZ 3.23Å; E110-R113 VanDerWaalsContact OE2-CZ 3.23Å; E110-R113 IonicContact OE2-NE 2.91Å; E110-R113 PolarHBondContact OE2-NE 2.77Å; E110-R113 IonicContact OE2-NH2 2.71Å; E110-R113 PolarHBondContact OE2-NH2 3.36Å; E110-R114 WeakPolarHBondContact O-CG 3.42Å; E110-R114 PolarHBondContact O-N 2.84Å
111I98.1Very high97.2Very high10 Ų1056.6 Ų56.65%0.05131%0.314CS..Hα-helixtrans-66-36.4178.9-155.560.9000112.2A107 L108 R114 V115 A148 L151 L152A107-I111 PolarHBondContact O-N 3.42Å; L108-I111 VanDerWaalsContact O-CG2 3.24Å; L108-I111 WeakPolarHBondContact O-CG2 3.47Å; L108-I111 PolarHBondContact O-N 3.28Å; I111-R114 HydrophobicContact CD1-CB 4.39Å; I111-R114 PolarHBondContact O-N 2.85Å; I111-V115 WeakPolarHBondContact O-CG2 3.23Å; I111-V115 PolarHBondContact O-N 2.92Å; I111-V115 VanDerWaalsContact O-N 3.07Å; I111-A148 HydrophobicContact CG1-CB 4.08Å; I111-A148 HydrophobicContact CG2-CB 4.15Å; I111-L151 HydrophobicContact CD1-CB 3.62Å; I111-L151 HydrophobicContact CD1-CD1 3.75Å; I111-L151 HydrophobicContact CD1-CG 4.28Å; I111-L151 HydrophobicContact CG1-CB 4.07Å; I111-L151 HydrophobicContact CG1-CD1 4.33Å; I111-L152 HydrophobicContact CB-CD2 4.19Å; I111-L152 HydrophobicContact CB-CG 4.32Å; I111-L152 HydrophobicContact CG1-CD2 4.47Å; I111-L152 HydrophobicContact CG1-CG 4.21Å; I111-L152 HydrophobicContact CG2-CD1 3.89Å; I111-L152 HydrophobicContact CG2-CD2 3.94Å; I111-L152 HydrophobicContact CG2-CG 3.86Å
112L98.4Very high97.2Very high0 Ų057.3 Ų57.30%031%0.308CS..Hα-helixtrans-63.6-41.3175.6-72.8169.9000111.6L92 L96 L108 S109 E110 V115 G116 L117 L121 L126 L145L92-L112 HydrophobicContact CD1-CD2 4.49Å; L92-L112 HydrophobicContact CD2-CD1 3.77Å; L92-L112 HydrophobicContact CG-CD1 4.33Å; L96-L112 HydrophobicContact CD1-CD1 3.91Å; L96-L112 HydrophobicContact CD1-CD2 4.28Å; L96-L112 HydrophobicContact CD1-CG 4.1Å; L108-L112 WeakPolarHBondContact O-CG 3.43Å; L108-L112 PolarHBondContact O-N 3.21Å; S109-L112 PolarHBondContact O-N 2.95Å; E110-L112 VanDerWaalsContact C-N 3.29Å; E110-L112 PolarHBondContact O-N 3.07Å; L112-V115 WeakPolarHBondContact O-CG2 3.42Å; L112-V115 PolarHBondContact O-N 2.81Å; L112-G116 PolarHBondContact O-N 2.83Å; L112-L117 HydrophobicContact CB-CB 4.37Å; L112-L117 HydrophobicContact CD2-CB 3.9Å; L112-L117 HydrophobicContact CD2-CD1 4.07Å; L112-L117 CarbonylContact O-C 3.56Å; L112-L117 WeakPolarHBondContact O-CA 3.18Å; L112-L117 PolarHBondContact O-N 3.14Å; L112-L121 HydrophobicContact CD1-CD2 3.62Å; L112-L121 HydrophobicContact CD1-CG 4.27Å; L112-L126 HydrophobicContact CD1-CD2 3.84Å; L112-L145 HydrophobicContact CD2-CD1 3.97Å
113R98Very high97.1Very high112 Ų11261.9 Ų61.942%0.42331%0.314SS..Hα-helixtrans-61.1-46.4172.1-73.7-175.9-70.9-87.45.9111.9S109 E110 V115 G116 E118 L121S109-R113 PolarHBondContact O-N 3.5Å; S109-R113 VanDerWaalsContact O-N 3.07Å; S109-R113 PolarHBondContact O-NH1 3.35Å; E110-R113 VanDerWaalsContact CA-NH2 3.29Å; E110-R113 PolarHBondContact O-N 3.44Å; E110-R113 IonicContact OE2-CZ 3.23Å; E110-R113 VanDerWaalsContact OE2-CZ 3.23Å; E110-R113 IonicContact OE2-NE 2.91Å; E110-R113 PolarHBondContact OE2-NE 2.77Å; E110-R113 IonicContact OE2-NH2 2.71Å; E110-R113 PolarHBondContact OE2-NH2 3.36Å; R113-V115 VanDerWaalsContact C-N 3.25Å; R113-V115 PolarHBondContact O-N 3.33Å; R113-G116 PolarHBondContact O-N 2.82Å; R113-E118 HydrophobicContact CG-CB 3.88Å; R113-L121 HydrophobicContact CG-CD1 4.25Å
114R97.1Very high96.9Very high98 Ų9863 Ų6337%0.3733%0.325SS..Hα-helixtrans-57.5-39.6179.7-73.2-177.467.9-163.12.9111.9E110 I111 G116 L178 E181E110-R114 WeakPolarHBondContact O-CG 3.42Å; E110-R114 PolarHBondContact O-N 2.84Å; I111-R114 HydrophobicContact CD1-CB 4.39Å; I111-R114 PolarHBondContact O-N 2.85Å; R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 3.31Å; R114-L178 HydrophobicContact CB-CD2 4.42Å; R114-L178 WeakPolarHBondContact O-CD1 3.36Å; R114-E181 IonicContact NH2-OE2 2.89Å; R114-E181 PolarHBondContact NH2-OE2 3.32Å
115V96.9Very high96.8Very high2 Ų260.7 Ų60.71%0.01231%0.31CS..THydrogen-bonded Turntrans-88.913.7178.2-56.60000114.3I111 L112 R113 L117 R144 I147 A148 L151 L178I111-V115 WeakPolarHBondContact O-CG2 3.23Å; I111-V115 PolarHBondContact O-N 2.92Å; I111-V115 VanDerWaalsContact O-N 3.07Å; L112-V115 WeakPolarHBondContact O-CG2 3.42Å; L112-V115 PolarHBondContact O-N 2.81Å; R113-V115 VanDerWaalsContact C-N 3.25Å; R113-V115 PolarHBondContact O-N 3.33Å; V115-L117 HydrophobicContact CG2-CB 4.08Å; V115-L117 HydrophobicContact CG2-CD1 3.79Å; V115-L117 HydrophobicContact CG2-CG 3.8Å; V115-L117 PolarHBondContact O-N 2.62Å; V115-R144 HydrophobicContact CB-CB 4.25Å; V115-R144 HydrophobicContact CG2-CB 4.35Å; V115-R144 WeakPolarHBondContact O-CD 3.44Å; V115-I147 HydrophobicContact CG1-CG2 4.12Å; V115-A148 HydrophobicContact CG1-CB 4.04Å; V115-A148 HydrophobicContact CG2-CB 3.87Å; V115-L151 HydrophobicContact CG1-CD1 3.8Å; V115-L178 HydrophobicContact CG1-CD1 4.41Å
116G96.4Very high96.7Very high27 Ų2758.4 Ų58.428%0.27830%0.297SS..THydrogen-bonded Turntrans66.234177.500000114.1L112 R113 R114 E118L112-G116 PolarHBondContact O-N 2.83Å; R113-G116 PolarHBondContact O-N 2.82Å; R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 3.31Å; G116-E118 WeakPolarHBondContact CA-OE2 3.03Å
117L96.8Very high96.7Very high2 Ų256.6 Ų56.61%0.0129%0.292CS..  trans-116.423.3176.9-66-177.1000112.1L112 V115 K119 L120 E141 R144 L145L112-L117 HydrophobicContact CB-CB 4.37Å; L112-L117 HydrophobicContact CD2-CB 3.9Å; L112-L117 HydrophobicContact CD2-CD1 4.07Å; L112-L117 CarbonylContact O-C 3.56Å; L112-L117 WeakPolarHBondContact O-CA 3.18Å; L112-L117 PolarHBondContact O-N 3.14Å; V115-L117 HydrophobicContact CG2-CB 4.08Å; V115-L117 HydrophobicContact CG2-CD1 3.79Å; V115-L117 HydrophobicContact CG2-CG 3.8Å; V115-L117 PolarHBondContact O-N 2.62Å; L117-K119 PolarHBondContact O-N 2.88Å; L117-K119 VanDerWaalsContact O-N 3.16Å; L117-L120 HydrophobicContact CB-CD1 4.04Å; L117-L120 HydrophobicContact CB-CG 4.27Å; L117-L120 HydrophobicContact CD1-CD1 4.07Å; L117-L120 HydrophobicContact CD2-CD1 4.26Å; L117-L120 HydrophobicContact CG-CD1 4.37Å; L117-L120 WeakPolarHBondContact O-CB 3.35Å; L117-L120 PolarHBondContact O-N 2.88Å; L117-E141 HydrophobicContact CD2-CB 3.93Å; L117-E141 HydrophobicContact CD2-CG 3.7Å; L117-R144 HydrophobicContact CD1-CB 3.89Å; L117-R144 HydrophobicContact CD2-CB 4.2Å; L117-R144 HydrophobicContact CG-CB 3.98Å; L117-L145 HydrophobicContact CD1-CB 3.96Å; L117-L145 HydrophobicContact CD1-CD1 4.35Å
118E96.8Very high96.5Very high95 Ų9556.4 Ų56.444%0.44429%0.288SS..G310 helixtrans-57.6-28.2178.766.9-86.5-156.100113.1R113 G116 L120 L121R113-E118 HydrophobicContact CG-CB 3.88Å; G116-E118 WeakPolarHBondContact CA-OE2 3.03Å; E118-L120 PolarHBondContact O-N 2.77Å; E118-L121 WeakPolarHBondContact O-CB 3.39Å; E118-L121 PolarHBondContact O-N 2.88Å
119K95.2Very high96.3Very high147 Ų14763.2 Ų63.264%0.63931%0.314SS*.G310 helixtrans-61.9-26174.4-65-175.9179.6-179.20113L117 L121 E122L117-K119 PolarHBondContact O-N 2.88Å; L117-K119 VanDerWaalsContact O-N 3.16Å; K119-L121 PolarHBondContact O-N 3.04Å; K119-E122 WeakPolarHBondContact O-CB 3.16Å; K119-E122 PolarHBondContact O-N 3.24Å
120L95.4Very high96Very high31 Ų3162.5 Ų62.516%0.16231%0.308CS..G310 helixtrans-72.2-8.3174.4-57.1-175.1000112.8L92 L117 E118 G125 L137L92-L120 HydrophobicContact CD2-CB 3.79Å; L92-L120 HydrophobicContact CD2-CD1 4.38Å; L117-L120 HydrophobicContact CB-CD1 4.04Å; L117-L120 HydrophobicContact CB-CG 4.27Å; L117-L120 HydrophobicContact CD1-CD1 4.07Å; L117-L120 HydrophobicContact CD2-CD1 4.26Å; L117-L120 HydrophobicContact CG-CD1 4.37Å; L117-L120 WeakPolarHBondContact O-CB 3.35Å; L117-L120 PolarHBondContact O-N 2.88Å; E118-L120 PolarHBondContact O-N 2.77Å; L120-G125 CarbonylContact O-C 3.5Å; L120-G125 VanDerWaalsContact O-CA 3.31Å; L120-G125 WeakPolarHBondContact O-CA 3.45Å; L120-L137 HydrophobicContact CD1-CD2 4.08Å; L120-L137 HydrophobicContact CD2-CD2 3.64Å
121L96.7Very high95.5Very high45 Ų4559 Ų5924%0.23630%0.296CS..G310 helixtrans-87.9-8.1173.6-59172.7000112.8L112 R113 E118 K119 L126L112-L121 HydrophobicContact CD1-CD2 3.62Å; L112-L121 HydrophobicContact CD1-CG 4.27Å; R113-L121 HydrophobicContact CG-CD1 4.25Å; E118-L121 WeakPolarHBondContact O-CB 3.39Å; E118-L121 PolarHBondContact O-N 2.88Å; K119-L121 PolarHBondContact O-N 3.04Å; L121-L126 HydrophobicContact CD2-CD2 4.16Å; L121-L126 HydrophobicContact CD2-CG 4.25Å
122E94.9Very high94.7Very high126 Ų12664.7 Ų64.759%0.58932%0.322SS*.SBendtrans-72.6160.5174.8-61.6175.6-168.400111.1K119 A124 G125K119-E122 WeakPolarHBondContact O-CB 3.16Å; K119-E122 PolarHBondContact O-N 3.24Å; E122-A124 PolarHBondContact O-N 3.3Å; E122-A124 VanDerWaalsContact O-N 3.09Å; E122-G125 PolarHBondContact O-N 2.99Å
123D91.3Very high93.6Very high175 Ų17566.1 Ų66.194%0.93634%0.337SS*.THydrogen-bonded Turntrans50.9-108.7-179.3-60-39000114.3G125D123-G125 PolarHBondContact O-N 3.09Å
124A93.8Very high92.4Very high52 Ų5260.8 Ų60.843%0.4332%0.317SS..THydrogen-bonded Turntrans-70.9-17.8179.100000112.6E122 L126 N127E122-A124 PolarHBondContact O-N 3.3Å; E122-A124 VanDerWaalsContact O-N 3.09Å; A124-L126 PolarHBondContact O-N 2.83Å; A124-N127 WeakPolarHBondContact O-CA 3.31Å; A124-N127 VanDerWaalsContact O-CB 3.29Å; A124-N127 WeakPolarHBondContact O-CB 3.25Å; A124-N127 PolarHBondContact O-N 3.38Å
125G96Very high91.4Very high7 Ų765.6 Ų65.67%0.07234%0.336CS..G310 helixtrans52.8-127.7178.500000112.8L120 E122 D123 N127 S128L120-G125 CarbonylContact O-C 3.5Å; L120-G125 VanDerWaalsContact O-CA 3.31Å; L120-G125 WeakPolarHBondContact O-CA 3.45Å; E122-G125 PolarHBondContact O-N 2.99Å; D123-G125 PolarHBondContact O-N 3.09Å; G125-N127 PolarHBondContact O-N 2.83Å; G125-N127 VanDerWaalsContact O-N 3.1Å; G125-S128 WeakPolarHBondContact O-CB 3.36Å; G125-S128 PolarHBondContact O-N 3.42Å
126L97.6Very high90.7Very high12 Ų1272.4 Ų72.46%0.06337%0.367CS..G310 helixtrans-59.1-22.1176.2-67.7177.9000114L92 R93 L96 D105 L108 L112 L121 A124 S128L92-L126 HydrophobicContact CD2-CD2 4.39Å; L92-L126 HydrophobicContact CG-CD2 4.42Å; R93-L126 HydrophobicContact CB-CB 4.18Å; R93-L126 WeakPolarHBondContact CB-O 3.43Å; R93-L126 PolarHBondContact N-O 3.03Å; L96-L126 HydrophobicContact CD1-CD2 4.2Å; D105-L126 HydrophobicContact CB-CD1 3.58Å; L108-L126 HydrophobicContact CB-CD1 4.19Å; L108-L126 HydrophobicContact CB-CD2 4.03Å; L108-L126 HydrophobicContact CD1-CD1 4.49Å; L112-L126 HydrophobicContact CD1-CD2 3.84Å; L121-L126 HydrophobicContact CD2-CD2 4.16Å; L121-L126 HydrophobicContact CD2-CG 4.25Å; A124-L126 PolarHBondContact O-N 2.83Å; L126-S128 VanDerWaalsContact C-N 3.3Å
127N97.3Very high90.4Very high97 Ų9772 Ų7252%0.51936%0.359SS..G310 helixtrans-84.3-2.4175-56.2-55.4000113.2R93 A124 G125 W129R93-N127 PolarHBondContact NH1-OD1 2.78Å; R93-N127 PolarHBondContact NH2-OD1 3.07Å; A124-N127 WeakPolarHBondContact O-CA 3.31Å; A124-N127 VanDerWaalsContact O-CB 3.29Å; A124-N127 WeakPolarHBondContact O-CB 3.25Å; A124-N127 PolarHBondContact O-N 3.38Å; G125-N127 PolarHBondContact O-N 2.83Å; G125-N127 VanDerWaalsContact O-N 3.1Å; N127-W129 PolarHBondContact O-N 3.47Å
128S94.9Very high90.2Very high36 Ų3674.7 Ų74.725%0.25238%0.378SS..  trans-58.1129.5177.9-175.10000110.7T91 L92 G125 L126T91-S128 CarbonylContact C-O 3.55Å; T91-S128 VanDerWaalsContact CA-O 3.3Å; T91-S128 WeakPolarHBondContact CA-O 3.47Å; L92-S128 PolarHBondContact N-O 3.15Å; G125-S128 WeakPolarHBondContact O-CB 3.36Å; G125-S128 PolarHBondContact O-N 3.42Å; L126-S128 VanDerWaalsContact C-N 3.3Å
129W94.3Very high89.9Confident143 Ų14372.9 Ų72.954%0.54238%0.384SS..BIsolated β-bridgetrans-85114.4179.7-175.6-98.7000110.3S89 A90 T91 N127S89-W129 WeakPolarHBondContact O-CH2 3.42Å; S89-W129 VanDerWaalsContact O-CZ2 3.27Å; S89-W129 WeakPolarHBondContact O-CZ2 3.45Å; S89-W129 VanDerWaalsContact OG-CZ2 3.26Å; S89-W129 WeakPolarHBondContact OG-CZ2 3.41Å; A90-W129 VanDerWaalsContact CA-CZ3 3.46Å; T91-W129 HydrophobicContact CG2-CE3 4.23Å; N127-W129 PolarHBondContact O-N 3.47Å
130L91.9Very high89.8Confident6 Ų666.5 Ų66.53%0.03136%0.36CS..  trans-79.3-21.6-175-59.5-174.2000113.1L87 A90 L92 N95 G134 L137 L145L87-L130 HydrophobicContact CD1-CD1 4.03Å; A90-L130 PolarHBondContact O-N 3.16Å; A90-L130 VanDerWaalsContact O-N 3.12Å; L92-L130 HydrophobicContact CB-CD1 4.41Å; L92-L130 HydrophobicContact CB-CD2 4.36Å; L92-L130 HydrophobicContact CB-CG 4.41Å; L92-L130 HydrophobicContact CD1-CD1 4.09Å; N95-L130 HydrophobicContact CB-CD1 4.33Å; L130-G134 WeakPolarHBondContact O-CA 3.47Å; L130-L137 HydrophobicContact CD2-CD1 4.33Å; L130-L145 HydrophobicContact CD1-CD2 4.18Å
131G87.4Confident89.7Confident15 Ų1567.2 Ų67.216%0.15536%0.362CS..  trans64.8-177.3-17400000113.3G133 G134G131-G133 PolarHBondContact O-N 3.17Å; G131-G133 VanDerWaalsContact O-N 3.15Å; G131-G134 PolarHBondContact O-N 3.4Å
132E81.6Confident89.6Confident130 Ų13066.7 Ų66.761%0.60736%0.36SS*.G310 helixtrans-61.9116.9-176.3-170.2-170.1-16300111.7G134 R135E132-G134 PolarHBondContact O-N 3.34Å; E132-R135 WeakPolarHBondContact O-CG 3.47Å; E132-R135 IonicContact OE2-CZ 2.66Å; E132-R135 IonicContact OE2-NH2 3.96Å; E132-R135 PolarHBondContact OE2-NH2 3.06Å
133G74.7Confident89.6Confident30 Ų3061.1 Ų61.131%0.30933%0.333SS..G310 helixtrans69.67.1178.200000115.1L87 G131L87-G133 PolarHBondContact O-N 3.33Å; G131-G133 PolarHBondContact O-N 3.17Å; G131-G133 VanDerWaalsContact O-N 3.15Å
134G73.9Confident89.8Confident1 Ų154.4 Ų54.41%0.0130%0.295CS..G310 helixtrans65.538.3179.700000114L130 G131 E132 Q136 L137L130-G134 WeakPolarHBondContact O-CA 3.47Å; G131-G134 PolarHBondContact O-N 3.4Å; E132-G134 PolarHBondContact O-N 3.34Å; G134-Q136 PolarHBondContact O-N 3.03Å; G134-L137 WeakPolarHBondContact O-CB 3.33Å; G134-L137 PolarHBondContact O-N 2.71Å
135R74.9Confident89.9Confident199 Ų19952 Ų5275%0.75128%0.275SS*.THydrogen-bonded Turntrans-53.1-16.4-176.5-66.2179-155.9-166.45.1115.1E132E132-R135 WeakPolarHBondContact O-CG 3.47Å; E132-R135 IonicContact OE2-CZ 2.66Å; E132-R135 IonicContact OE2-NH2 3.96Å; E132-R135 PolarHBondContact OE2-NH2 3.06Å
136Q82.4Confident89.9Confident145 Ų14551.9 Ų51.968%0.67827%0.273SS*.THydrogen-bonded Turntrans-81.2-16.4176.3-60.2-179.33.300113.3G134G134-Q136 PolarHBondContact O-N 3.03Å
137L91.5Very high89.9Confident19 Ų1951.3 Ų51.310%0.09927%0.27CS..SBendtrans-94.1138.7179.9-60.1-179.9000110.5L87 L120 L130 G134 E141 L142 L145L87-L137 HydrophobicContact CD1-CD1 3.98Å; L120-L137 HydrophobicContact CD1-CD2 4.08Å; L120-L137 HydrophobicContact CD2-CD2 3.64Å; L130-L137 HydrophobicContact CD2-CD1 4.33Å; G134-L137 WeakPolarHBondContact O-CB 3.33Å; G134-L137 PolarHBondContact O-N 2.71Å; L137-E141 HydrophobicContact CB-CB 4.05Å; L137-E141 HydrophobicContact CD2-CB 4.3Å; L137-L142 HydrophobicContact CB-CD2 3.89Å; L137-L142 HydrophobicContact CB-CG 3.97Å; L137-L142 HydrophobicContact CD1-CD2 3.94Å; L137-L145 HydrophobicContact CD1-CD2 4.06Å
138S91.8Very high89.9Confident58 Ų5846.7 Ų46.741%0.40625%0.245SC..  trans-63.9159.3168.165.80000111.5G140 E141 L142S138-G140 PolarHBondContact O-N 3.48Å; S138-E141 VanDerWaalsContact CB-OE2 3.31Å; S138-E141 WeakPolarHBondContact CB-OE2 3.45Å; S138-E141 PolarHBondContact N-OE2 2.76Å; S138-E141 PolarHBondContact O-N 3.07Å; S138-E141 VanDerWaalsContact OG-CD 3.24Å; S138-E141 VanDerWaalsContact OG-CG 3.23Å; S138-E141 WeakPolarHBondContact OG-CG 3.23Å; S138-E141 PolarHBondContact OG-N 3.37Å; S138-E141 PolarHBondContact OG-OE2 2.94Å; S138-L142 WeakPolarHBondContact O-CG 3.47Å; S138-L142 PolarHBondContact O-N 3.21Å
139G90.6Very high90.1Very high57 Ų5747.5 Ų47.559%0.58824%0.243SC*.Hα-helixtrans-56.6-35.5176.400000113.3R143G139-R143 PolarHBondContact O-N 2.99Å; G139-R143 VanDerWaalsContact O-N 3.09Å
140G92.6Very high90.2Very high12 Ų1240.8 Ų40.812%0.12422%0.218CC..Hα-helixtrans-68-40.8174.500000112.9S138 R143 R144S138-G140 PolarHBondContact O-N 3.48Å; G140-R143 PolarHBondContact O-N 2.88Å; G140-R144 WeakPolarHBondContact O-CG 3.31Å; G140-R144 PolarHBondContact O-N 3.32Å
141E94.4Very high90.4Very high46 Ų4641.4 Ų41.422%0.21522%0.221CC..Hα-helixtrans-66.1-42176-71.5162.914300112.1L117 L137 S138 R143 R144 L145L117-E141 HydrophobicContact CD2-CB 3.93Å; L117-E141 HydrophobicContact CD2-CG 3.7Å; L137-E141 HydrophobicContact CB-CB 4.05Å; L137-E141 HydrophobicContact CD2-CB 4.3Å; S138-E141 VanDerWaalsContact CB-OE2 3.31Å; S138-E141 WeakPolarHBondContact CB-OE2 3.45Å; S138-E141 PolarHBondContact N-OE2 2.76Å; S138-E141 PolarHBondContact O-N 3.07Å; S138-E141 VanDerWaalsContact OG-CD 3.24Å; S138-E141 VanDerWaalsContact OG-CG 3.23Å; S138-E141 WeakPolarHBondContact OG-CG 3.23Å; S138-E141 PolarHBondContact OG-N 3.37Å; S138-E141 PolarHBondContact OG-OE2 2.94Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 3.41Å; E141-R144 VanDerWaalsContact CG-NH2 3.34Å; E141-R144 PolarHBondContact O-N 3.41Å; E141-L145 WeakPolarHBondContact O-CB 3.46Å; E141-L145 PolarHBondContact O-N 3.4Å
142L94.3Very high90.9Very high34 Ų3441.9 Ų41.918%0.17822%0.22CC..Hα-helixtrans-56.1-44.8173-70.1175000111.3V85 L87 L137 S138 L145 A146V85-L142 HydrophobicContact CB-CB 4.43Å; L87-L142 HydrophobicContact CD1-CD2 3.29Å; L87-L142 HydrophobicContact CG-CD2 4.11Å; L137-L142 HydrophobicContact CB-CD2 3.89Å; L137-L142 HydrophobicContact CB-CG 3.97Å; L137-L142 HydrophobicContact CD1-CD2 3.94Å; S138-L142 WeakPolarHBondContact O-CG 3.47Å; S138-L142 PolarHBondContact O-N 3.21Å; L142-L145 PolarHBondContact O-N 3.18Å; L142-A146 PolarHBondContact O-N 3.35Å
143R94.4Very high91.7Very high10 Ų1038.5 Ų38.54%0.03820%0.204CC..Hα-helixtrans-63.1-46.9178.1-178.758.866.1150.717.5112P82 Q83 G139 G140 E141 L145 A146 I147 D161 E162 P163 L167P82-R143 PolarHBondContact O-NH1 2.86Å; Q83-R143 PolarHBondContact O-NH2 3.39Å; G139-R143 PolarHBondContact O-N 2.99Å; G139-R143 VanDerWaalsContact O-N 3.09Å; G140-R143 PolarHBondContact O-N 2.88Å; E141-R143 VanDerWaalsContact C-N 3.28Å; E141-R143 PolarHBondContact O-N 3.41Å; R143-L145 VanDerWaalsContact C-N 3.27Å; R143-L145 PolarHBondContact O-N 2.97Å; R143-A146 WeakPolarHBondContact O-CB 3.43Å; R143-A146 PolarHBondContact O-N 3.36Å; R143-A146 VanDerWaalsContact O-N 3.15Å; R143-I147 HydrophobicContact CG-CD1 4.19Å; R143-I147 WeakPolarHBondContact O-CG1 3.3Å; R143-I147 PolarHBondContact O-N 3.23Å; R143-D161 PolarHBondContact NH1-O 3.41Å; R143-E162 PolarHBondContact NH1-O 2.87Å; R143-E162 PolarHBondContact NH2-O 3.26Å; R143-P163 VanDerWaalsContact CD-O 3.31Å; R143-P163 WeakPolarHBondContact CD-O 3.45Å; R143-P163 VanDerWaalsContact CG-O 3.25Å; R143-P163 WeakPolarHBondContact CG-O 3.4Å; R143-L167 HydrophobicContact CB-CD2 4.25Å; R143-L167 HydrophobicContact CG-CD2 4.36Å
144R96Very high92.7Very high34 Ų3441.9 Ų41.913%0.12822%0.215CC..Hα-helixtrans-63.4-34.6178.1-66.9-172.4-53.3-129-6.3111.8V115 L117 G140 E141 I147 A148 T171 I175V115-R144 HydrophobicContact CB-CB 4.25Å; V115-R144 HydrophobicContact CG2-CB 4.35Å; V115-R144 WeakPolarHBondContact O-CD 3.44Å; L117-R144 HydrophobicContact CD1-CB 3.89Å; L117-R144 HydrophobicContact CD2-CB 4.2Å; L117-R144 HydrophobicContact CG-CB 3.98Å; G140-R144 WeakPolarHBondContact O-CG 3.31Å; G140-R144 PolarHBondContact O-N 3.32Å; E141-R144 VanDerWaalsContact CG-NH2 3.34Å; E141-R144 PolarHBondContact O-N 3.41Å; R144-I147 PolarHBondContact O-N 2.97Å; R144-A148 PolarHBondContact O-N 2.83Å; R144-T171 HydrophobicContact CG-CG2 4.47Å; R144-T171 PolarHBondContact NH1-OG1 3.24Å; R144-T171 VanDerWaalsContact NH1-OG1 3.14Å; R144-I175 HydrophobicContact CG-CD1 3.94Å; R144-I175 HydrophobicContact CG-CG1 4.18Å
145L96Very high93.8Very high1 Ų142 Ų421%0.00522%0.216CC..Hα-helixtrans-67.6-36.4174.4-171.460.6000112.2L87 L92 L96 L112 L117 L130 L137 E141 L142 R143 I147 A148 R149L87-L145 HydrophobicContact CD1-CD2 3.81Å; L87-L145 HydrophobicContact CD2-CD2 3.67Å; L87-L145 HydrophobicContact CD2-CG 4.4Å; L87-L145 HydrophobicContact CG-CD2 4.4Å; L92-L145 HydrophobicContact CD1-CD1 3.81Å; L92-L145 HydrophobicContact CD1-CD2 4.17Å; L96-L145 HydrophobicContact CD2-CD1 3.62Å; L96-L145 HydrophobicContact CG-CD1 4.29Å; L112-L145 HydrophobicContact CD2-CD1 3.97Å; L117-L145 HydrophobicContact CD1-CB 3.96Å; L117-L145 HydrophobicContact CD1-CD1 4.35Å; L130-L145 HydrophobicContact CD1-CD2 4.18Å; L137-L145 HydrophobicContact CD1-CD2 4.06Å; E141-L145 WeakPolarHBondContact O-CB 3.46Å; E141-L145 PolarHBondContact O-N 3.4Å; L142-L145 PolarHBondContact O-N 3.18Å; R143-L145 VanDerWaalsContact C-N 3.27Å; R143-L145 PolarHBondContact O-N 2.97Å; L145-I147 VanDerWaalsContact C-N 3.34Å; L145-A148 WeakPolarHBondContact O-CB 3.26Å; L145-A148 PolarHBondContact O-N 3.16Å; L145-R149 WeakPolarHBondContact O-CG 3.47Å; L145-R149 PolarHBondContact O-N 3.32Å
146A96Very high94.8Very high4 Ų436.4 Ų36.43%0.03321%0.205CC..Hα-helixtrans-65.3-37.9171.700000112.5V81 V85 L142 R143 R149 A150V81-A146 HydrophobicContact CG1-CB 4.41Å; V85-A146 HydrophobicContact CB-CB 4.28Å; V85-A146 HydrophobicContact CG1-CB 3.84Å; V85-A146 HydrophobicContact CG2-CB 3.45Å; V85-A146 VanDerWaalsContact CG2-CB 3.45Å; L142-A146 PolarHBondContact O-N 3.35Å; R143-A146 WeakPolarHBondContact O-CB 3.43Å; R143-A146 PolarHBondContact O-N 3.36Å; R143-A146 VanDerWaalsContact O-N 3.15Å; A146-R149 PolarHBondContact O-N 3.06Å; A146-A150 PolarHBondContact O-N 3.44Å
147I97.2Very high95.6Very high0 Ų030 Ų300%018%0.176CC..Hα-helixtrans-64.9-41.9173.7-65.6159000110.4V81 V115 R143 R144 L145 R149 A150 L151 I175 L179V81-I147 HydrophobicContact CG1-CG1 3.99Å; V81-I147 HydrophobicContact CG2-CG1 4.18Å; V115-I147 HydrophobicContact CG1-CG2 4.12Å; R143-I147 HydrophobicContact CG-CD1 4.19Å; R143-I147 WeakPolarHBondContact O-CG1 3.3Å; R143-I147 PolarHBondContact O-N 3.23Å; R144-I147 PolarHBondContact O-N 2.97Å; L145-I147 VanDerWaalsContact C-N 3.34Å; I147-R149 VanDerWaalsContact C-N 3.31Å; I147-R149 PolarHBondContact O-N 2.95Å; I147-A150 PolarHBondContact O-N 2.83Å; I147-A150 VanDerWaalsContact O-N 3.14Å; I147-L151 HydrophobicContact CG2-CD1 3.91Å; I147-L151 HydrophobicContact CG2-CG 4.34Å; I147-L151 WeakPolarHBondContact O-CG 3.46Å; I147-L151 PolarHBondContact O-N 3.26Å; I147-I175 HydrophobicContact CD1-CB 4.5Å; I147-I175 HydrophobicContact CD1-CD1 4.12Å; I147-I175 HydrophobicContact CD1-CG1 4.26Å; I147-I175 HydrophobicContact CD1-CG2 3.45Å; I147-I175 VanDerWaalsContact CD1-CG2 3.45Å; I147-L179 HydrophobicContact CG2-CD2 4.35Å
148A97.8Very high95.9Very high0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-57.5-43.9173.600000111.7L96 I111 V115 R144 L145 A150 L151 L152L96-A148 HydrophobicContact CD2-CB 4.28Å; I111-A148 HydrophobicContact CG1-CB 4.08Å; I111-A148 HydrophobicContact CG2-CB 4.15Å; V115-A148 HydrophobicContact CG1-CB 4.04Å; V115-A148 HydrophobicContact CG2-CB 3.87Å; R144-A148 PolarHBondContact O-N 2.83Å; L145-A148 WeakPolarHBondContact O-CB 3.26Å; L145-A148 PolarHBondContact O-N 3.16Å; A148-A150 PolarHBondContact O-N 3.5Å; A148-L151 PolarHBondContact O-N 3.06Å; A148-L152 WeakPolarHBondContact O-CB 3.17Å; A148-L152 WeakPolarHBondContact O-CG 3.46Å; A148-L152 PolarHBondContact O-N 3.39Å
149R97.5Very high96.2Very high54 Ų5426.3 Ų26.320%0.20415%0.152CC..Hα-helixtrans-61.1-43.2174.4-71.5173.672.1-179.33.3112.1H86 N95 L96 A99 L145 A146 I147 L151 L152 H153H86-R149 PolarHBondContact O-NH1 3.02Å; H86-R149 VanDerWaalsContact O-NH1 3.08Å; N95-R149 PolarHBondContact O-NE 3.29Å; L96-R149 HydrophobicContact CD2-CG 4.31Å; A99-R149 HydrophobicContact CB-CB 3.83Å; A99-R149 HydrophobicContact CB-CG 4.13Å; A99-R149 VanDerWaalsContact CB-O 3.31Å; A99-R149 WeakPolarHBondContact CB-O 3.01Å; L145-R149 WeakPolarHBondContact O-CG 3.47Å; L145-R149 PolarHBondContact O-N 3.32Å; A146-R149 PolarHBondContact O-N 3.06Å; I147-R149 VanDerWaalsContact C-N 3.31Å; I147-R149 PolarHBondContact O-N 2.95Å; R149-L151 VanDerWaalsContact C-N 3.35Å; R149-L151 PolarHBondContact O-N 2.88Å; R149-L152 PolarHBondContact O-N 3.27Å; R149-H153 WeakPolarHBondContact O-CB 3.46Å; R149-H153 PolarHBondContact O-N 3.25Å
150A97.3Very high96.5Very high2 Ų223.6 Ų23.62%0.01712%0.124CC..Hα-helixtrans-65.1-37.7177.600000112.9S79 V81 A146 I147 A148 D154 M182S79-A150 PolarHBondContact OG-O 2.83Å; V81-A150 HydrophobicContact CG2-CB 3.49Å; V81-A150 VanDerWaalsContact CG2-CB 3.49Å; A146-A150 PolarHBondContact O-N 3.44Å; I147-A150 PolarHBondContact O-N 2.83Å; I147-A150 VanDerWaalsContact O-N 3.14Å; A148-A150 PolarHBondContact O-N 3.5Å; A150-D154 PolarHBondContact O-N 2.84Å; A150-M182 HydrophobicContact CB-SD 4.45Å
151L97.1Very high96.7Very high18 Ų1823.7 Ų23.79%0.09412%0.121CC..Hα-helixtrans-69.5-36.4175.1-69.6164.1000112.6I111 V115 I147 A148 R149 M182I111-L151 HydrophobicContact CD1-CB 3.62Å; I111-L151 HydrophobicContact CD1-CD1 3.75Å; I111-L151 HydrophobicContact CD1-CG 4.28Å; I111-L151 HydrophobicContact CG1-CB 4.07Å; I111-L151 HydrophobicContact CG1-CD1 4.33Å; V115-L151 HydrophobicContact CG1-CD1 3.8Å; I147-L151 HydrophobicContact CG2-CD1 3.91Å; I147-L151 HydrophobicContact CG2-CG 4.34Å; I147-L151 WeakPolarHBondContact O-CG 3.46Å; I147-L151 PolarHBondContact O-N 3.26Å; A148-L151 PolarHBondContact O-N 3.06Å; R149-L151 VanDerWaalsContact C-N 3.35Å; R149-L151 PolarHBondContact O-N 2.88Å; L151-M182 HydrophobicContact CD2-CB 3.71Å; L151-M182 HydrophobicContact CD2-CG 3.72Å; L151-M182 HydrophobicContact CD2-SD 3.68Å; L151-M182 HydrophobicContact CG-SD 4.1Å
152L97.7Very high96.7Very high25 Ų2522.2 Ų22.213%0.13111%0.114CC..Hα-helixtrans-68-37174.6-77.1171.8000112.5L96 A99 L108 I111 A148 R149L96-L152 HydrophobicContact CB-CD1 3.99Å; L96-L152 HydrophobicContact CD2-CD1 3.85Å; L96-L152 HydrophobicContact CG-CD1 4.47Å; A99-L152 HydrophobicContact CB-CB 4.18Å; L108-L152 HydrophobicContact CD2-CD1 3.75Å; L108-L152 HydrophobicContact CD2-CD2 4.08Å; I111-L152 HydrophobicContact CB-CD2 4.19Å; I111-L152 HydrophobicContact CB-CG 4.32Å; I111-L152 HydrophobicContact CG1-CD2 4.47Å; I111-L152 HydrophobicContact CG1-CG 4.21Å; I111-L152 HydrophobicContact CG2-CD1 3.89Å; I111-L152 HydrophobicContact CG2-CD2 3.94Å; I111-L152 HydrophobicContact CG2-CG 3.86Å; A148-L152 WeakPolarHBondContact O-CB 3.17Å; A148-L152 WeakPolarHBondContact O-CG 3.46Å; A148-L152 PolarHBondContact O-N 3.39Å; R149-L152 PolarHBondContact O-N 3.27Å
153H97.1Very high96.7Very high59 Ų5920.6 Ų20.627%0.27311%0.106SC..Hα-helixtrans-75.8-33.7-179.6-177.9-104.9000112.7R75 I78 S79 A99 R149 A155R75-H153 PolarHBondContact O-CE1 3.05Å; R75-H153 PolarHBondContact O-NE2 3.35Å; I78-H153 PolarHBondContact O-CE1 3.4Å; I78-H153 PolarHBondContact O-ND1 3.05Å; S79-H153 PolarHBondContact OG-ND1 3.15Å; A99-H153 HydrophobicContact CB-CB 4.36Å; R149-H153 WeakPolarHBondContact O-CB 3.46Å; R149-H153 PolarHBondContact O-N 3.25Å; H153-A155 VanDerWaalsContact C-N 3.3Å; H153-A155 VanDerWaalsContact CE1-CB 3.48Å; H153-A155 WeakPolarHBondContact CE1-CB 3.2Å; H153-A155 WeakPolarHBondContact ND1-CB 3.36Å; H153-A155 PolarHBondContact O-N 3.38Å; H153-A155 VanDerWaalsContact O-N 3.1Å
154D95.5Very high96.5Very high101 Ų10120.2 Ų20.254%0.5411%0.105SC..  trans5331.5167.3-157.640.1000117.3S79 A150 K186S79-D154 PolarHBondContact OG-N 3.31Å; A150-D154 PolarHBondContact O-N 2.84Å; D154-K186 PolarHBondContact O-NZ 3.34Å; D154-K186 IonicContact OD1-NZ 3.75Å; D154-K186 PolarHBondContact OD1-NZ 3.39Å
155A97.1Very high96.2Very high3 Ų322.3 Ų22.33%0.02512%0.116CC..  trans-73.2158.8-177.300000114.2Q76 T77 S79 H153 L157 K186Q76-A155 WeakPolarHBondContact O-CB 3.46Å; T77-A155 VanDerWaalsContact C-CB 3.5Å; S79-A155 WeakPolarHBondContact OG-CB 3.35Å; S79-A155 PolarHBondContact OG-N 3.1Å; H153-A155 VanDerWaalsContact C-N 3.3Å; H153-A155 VanDerWaalsContact CE1-CB 3.48Å; H153-A155 WeakPolarHBondContact CE1-CB 3.2Å; H153-A155 WeakPolarHBondContact ND1-CB 3.36Å; H153-A155 PolarHBondContact O-N 3.38Å; H153-A155 VanDerWaalsContact O-N 3.1Å; A155-L157 PolarHBondContact O-N 3.39Å; A155-K186 WeakPolarHBondContact O-CD 3.43Å; A155-K186 PolarHBondContact O-NZ 2.91Å
156P97.2Very high95.8Very high83 Ų8325.6 Ų25.654%0.53915%0.15SC..SBendtrans-72.8-23.7-175.527.3-36.7000115.2T187P156-T187 PolarHBondContact O-N 3.41Å
157L97.9Very high95.6Very high10 Ų1026.1 Ų26.15%0.05215%0.152CC..EExtended strand (participates in β ladder)trans-103.7124.7169.6178.959.3000109.1M1 T77 I78 S79 A155 L159 T187 L189M1-L157 HydrophobicContact SD-CD2 3.87Å; T77-L157 WeakPolarHBondContact O-CB 3.17Å; T77-L157 PolarHBondContact O-N 3.24Å; T77-L157 VanDerWaalsContact O-N 3.16Å; I78-L157 CarbonylContact C-O 3.56Å; I78-L157 WeakPolarHBondContact CA-O 3.47Å; I78-L157 HydrophobicContact CD1-CD2 4.17Å; I78-L157 HydrophobicContact CG1-CB 4.46Å; I78-L157 HydrophobicContact CG1-CD2 4.07Å; I78-L157 HydrophobicContact CG2-CG 4.47Å; S79-L157 PolarHBondContact N-O 2.86Å; A155-L157 PolarHBondContact O-N 3.39Å; L157-L159 HydrophobicContact CD1-CD2 4.18Å; L157-L159 HydrophobicContact CD2-CD2 4.42Å; L157-L159 HydrophobicContact CG-CD2 4.12Å; L157-T187 WeakPolarHBondContact CA-O 3.31Å; L157-T187 HydrophobicContact CD1-CG2 3.7Å; L157-L189 HydrophobicContact CD1-CD1 3.93Å
158V98.3Very high95.3Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-115.5124.8179.6-175.80000109.6S79 L160 M182 K186 T187 V188 L189S79-V158 CarbonylContact O-C 3.57Å; S79-V158 WeakPolarHBondContact O-CA 3.39Å; V158-L160 HydrophobicContact CG1-CD1 4.38Å; V158-L160 HydrophobicContact CG1-CD2 3.59Å; V158-L160 HydrophobicContact CG1-CG 3.8Å; V158-M182 HydrophobicContact CG1-CE 3.51Å; V158-M182 HydrophobicContact CG2-CE 4.44Å; V158-K186 HydrophobicContact CG2-CB 4.3Å; V158-K186 HydrophobicContact CG2-CD 3.59Å; V158-T187 PolarHBondContact N-O 3.08Å; V158-V188 HydrophobicContact CB-CG2 4.3Å; V158-V188 WeakPolarHBondContact O-CA 3.33Å; V158-L189 PolarHBondContact O-N 2.96Å
159L98.2Very high95Very high0 Ų033.7 Ų33.70%020%0.202CC..EExtended strand (participates in β ladder)trans-110.7119.2173.8-52-177.5000109.1L45 L48 T49 I78 S79 V80 V81 L157 L189L45-L159 HydrophobicContact CD1-CB 4.43Å; L45-L159 HydrophobicContact CD2-CB 4.24Å; L45-L159 HydrophobicContact CD2-CD1 4.45Å; L45-L159 HydrophobicContact CD2-CD2 4.13Å; L45-L159 HydrophobicContact CD2-CG 4.5Å; L48-L159 HydrophobicContact CB-CD1 3.85Å; L48-L159 HydrophobicContact CD1-CD1 4.2Å; L48-L159 HydrophobicContact CD1-CD2 3.88Å; T49-L159 HydrophobicContact CG2-CD1 3.68Å; I78-L159 HydrophobicContact CG2-CD1 3.62Å; I78-L159 HydrophobicContact CG2-CG 3.72Å; S79-L159 PolarHBondContact O-N 3.21Å; V80-L159 CarbonylContact C-O 3.59Å; V80-L159 WeakPolarHBondContact CA-O 3.37Å; V80-L159 HydrophobicContact CG1-CB 4.48Å; V80-L159 HydrophobicContact CG2-CB 4.41Å; V80-L159 HydrophobicContact CG2-CD1 4.43Å; V81-L159 PolarHBondContact N-O 3.31Å; L157-L159 HydrophobicContact CD1-CD2 4.18Å; L157-L159 HydrophobicContact CD2-CD2 4.42Å; L157-L159 HydrophobicContact CG-CD2 4.12Å; L159-L189 WeakPolarHBondContact CA-O 3.35Å; L159-L189 HydrophobicContact CD2-CB 3.9Å; L159-L189 HydrophobicContact CD2-CD1 4.17Å; L159-L189 HydrophobicContact CD2-CG 4.43Å
160L97Very high94.8Very high0 Ų035.7 Ų35.70%022%0.221CC..EExtended strand (participates in β ladder)trans-116.7116.9-178.2-56.6177.5000109.3V81 V158 P163 L179 M182 M183 V188 L189 M190 V191V81-L160 HydrophobicContact CB-CD2 3.73Å; V81-L160 HydrophobicContact CG2-CD2 3.51Å; V158-L160 HydrophobicContact CG1-CD1 4.38Å; V158-L160 HydrophobicContact CG1-CD2 3.59Å; V158-L160 HydrophobicContact CG1-CG 3.8Å; L160-P163 HydrophobicContact CB-CB 4.31Å; L160-P163 HydrophobicContact CB-CG 3.97Å; L160-P163 HydrophobicContact CD1-CG 4.38Å; L160-L179 HydrophobicContact CD1-CD2 4.15Å; L160-L179 HydrophobicContact CD2-CD2 4.13Å; L160-M182 HydrophobicContact CD2-CE 4.05Å; L160-M183 HydrophobicContact CD1-SD 4.28Å; L160-V188 HydrophobicContact CD1-CG1 4.19Å; L160-L189 PolarHBondContact N-O 2.89Å; L160-M190 HydrophobicContact CB-CB 4.16Å; L160-M190 HydrophobicContact CB-CG 4.02Å; L160-M190 HydrophobicContact CD1-CB 4.4Å; L160-M190 HydrophobicContact CD1-CG 4.35Å; L160-M190 HydrophobicContact CD1-SD 4.2Å; L160-M190 CarbonylContact O-C 3.59Å; L160-M190 WeakPolarHBondContact O-CA 3.4Å; L160-V191 PolarHBondContact O-N 3.12Å
161D96.6Very high94.5Very high13 Ų1336.2 Ų36.27%0.0722%0.224CC..EExtended strand (participates in β ladder)trans-107.897.3177.8-158.6-0.5000110.8S42 L45 V81 Q83 R143 V191S42-D161 WeakPolarHBondContact CB-OD2 3.32Å; S42-D161 PolarHBondContact OG-OD1 2.97Å; S42-D161 PolarHBondContact OG-OD2 2.82Å; L45-D161 HydrophobicContact CD1-CB 3.73Å; V81-D161 PolarHBondContact O-N 3.35Å; Q83-D161 HydrophobicContact CB-CB 4.18Å; R143-D161 PolarHBondContact NH1-O 3.41Å; D161-V191 WeakPolarHBondContact OD1-CB 3.41Å; D161-V191 WeakPolarHBondContact OD1-CG1 3.26Å
162E94Very high94.3Very high15 Ų1536.1 Ų36.17%0.0722%0.223CC..SBendtrans47.658-177-54.1-161.5-164.600112.3R143 T164 E165 V191 H193R143-E162 PolarHBondContact NH1-O 2.87Å; R143-E162 PolarHBondContact NH2-O 3.26Å; E162-T164 PolarHBondContact O-N 3.21Å; E162-E165 HydrophobicContact CB-CB 4.02Å; E162-E165 WeakPolarHBondContact O-CB 3.48Å; E162-E165 PolarHBondContact O-N 3.44Å; E162-E165 VanDerWaalsContact O-N 3.1Å; E162-V191 WeakPolarHBondContact CA-O 3.44Å; E162-V191 HydrophobicContact CG-CG1 3.99Å; E162-V191 PolarHBondContact N-O 2.88Å; E162-H193 IonicContact OE2-CE1 3.38Å; E162-H193 PolarHBondContact OE2-CE1 2.78Å; E162-H193 IonicContact OE2-CG 3.97Å; E162-H193 IonicContact OE2-ND1 2.76Å; E162-H193 PolarHBondContact OE2-ND1 3.04Å
163P94Very high94Very high0 Ų036.8 Ų36.80%023%0.23CC..THydrogen-bonded Turntrans-66.7-14.7-16530-39.4000114.4V81 R143 L160 L179 M190V81-P163 HydrophobicContact CG1-CB 4.14Å; R143-P163 VanDerWaalsContact CD-O 3.31Å; R143-P163 WeakPolarHBondContact CD-O 3.45Å; R143-P163 VanDerWaalsContact CG-O 3.25Å; R143-P163 WeakPolarHBondContact CG-O 3.4Å; L160-P163 HydrophobicContact CB-CB 4.31Å; L160-P163 HydrophobicContact CB-CG 3.97Å; L160-P163 HydrophobicContact CD1-CG 4.38Å; P163-L179 HydrophobicContact CB-CD1 3.8Å; P163-L179 HydrophobicContact CG-CD1 3.81Å; P163-M190 HydrophobicContact CG-CE 3.7Å; P163-M190 HydrophobicContact CG-SD 4.32Å
164T91.8Very high93.8Very high3 Ų338.7 Ų38.72%0.01824%0.239CC..THydrogen-bonded Turntrans-113.49179.464.20000113.7E162 G166 L167 E172 I175 L176 L179 R194E162-T164 PolarHBondContact O-N 3.21Å; T164-G166 PolarHBondContact O-N 3.15Å; T164-L167 PolarHBondContact O-N 2.74Å; T164-E172 HydrophobicContact CG2-CG 4.14Å; T164-I175 HydrophobicContact CG2-CG2 4Å; T164-L176 HydrophobicContact CG2-CD2 3.71Å; T164-L176 HydrophobicContact CG2-CG 3.95Å; T164-L179 HydrophobicContact CG2-CD1 4.47Å; T164-R194 PolarHBondContact O-NH2 3.39Å; T164-R194 WeakPolarHBondContact OG1-CD 3.38Å; T164-R194 PolarHBondContact OG1-NE 2.91Å; T164-R194 VanDerWaalsContact OG1-NE 3.1Å
165E89.7Confident93.7Very high78 Ų7834 Ų3436%0.36421%0.213SC..THydrogen-bonded Turntrans-62.4133.6176.3-170.9177.9-160.600110.8Q83 E162 L167Q83-E165 PolarHBondContact NE2-OE2 3.29Å; E162-E165 HydrophobicContact CB-CB 4.02Å; E162-E165 WeakPolarHBondContact O-CB 3.48Å; E162-E165 PolarHBondContact O-N 3.44Å; E162-E165 VanDerWaalsContact O-N 3.1Å; E165-L167 VanDerWaalsContact C-N 3.31Å; E165-L167 PolarHBondContact O-N 3.49Å
166G87.6Confident93.4Very high70 Ų7036.1 Ų36.172%0.72222%0.224SC*.THydrogen-bonded Turntrans77.74.9177.600000116.2T164T164-G166 PolarHBondContact O-N 3.15Å
167L91.1Very high93.2Very high15 Ų1538.3 Ų38.38%0.07923%0.227CC..  trans-88.6144.3175.9-54.6-177.7000111.4R143 T164 E165 T171 E172 I175R143-L167 HydrophobicContact CB-CD2 4.25Å; R143-L167 HydrophobicContact CG-CD2 4.36Å; T164-L167 PolarHBondContact O-N 2.74Å; E165-L167 VanDerWaalsContact C-N 3.31Å; E165-L167 PolarHBondContact O-N 3.49Å; L167-T171 HydrophobicContact CB-CG2 4.14Å; L167-T171 HydrophobicContact CD1-CG2 4.08Å; L167-T171 HydrophobicContact CD2-CG2 4.06Å; L167-T171 HydrophobicContact CG-CG2 4.31Å; L167-E172 HydrophobicContact CB-CB 4.22Å; L167-I175 HydrophobicContact CD1-CB 4.17Å; L167-I175 HydrophobicContact CD1-CG1 3.89Å; L167-I175 HydrophobicContact CD1-CG2 4.28Å
168D91.4Very high93Very high87 Ų8738.8 Ų38.847%0.46523%0.23SC..  trans-66.5160.9166.769.781.8000111T170 T171 E172D168-T170 VanDerWaalsContact C-N 3.29Å; D168-T170 PolarHBondContact O-N 3.41Å; D168-T170 WeakPolarHBondContact OD1-CB 3.32Å; D168-T170 PolarHBondContact OD1-N 3.07Å; D168-T171 PolarHBondContact O-N 3.32Å; D168-T171 PolarHBondContact OD1-N 3.46Å; D168-T171 PolarHBondContact OD1-OG1 3.46Å; D168-T171 VanDerWaalsContact OD2-CB 3.25Å; D168-T171 WeakPolarHBondContact OD2-CB 3.44Å; D168-T171 PolarHBondContact OD2-OG1 2.96Å; D168-E172 VanDerWaalsContact O-CB 3.28Å; D168-E172 WeakPolarHBondContact O-CB 3.31Å; D168-E172 PolarHBondContact O-N 2.61Å
169A90.7Very high92.8Very high71 Ų7139 Ų3959%0.58723%0.231SC*.Hα-helixtrans-61.5-33.2-172.300000114.3S173A169-S173 PolarHBondContact O-N 2.81Å; A169-S173 PolarHBondContact O-OG 3.28Å
170T92.8Very high92.5Very high97 Ų9740.9 Ų40.960%0.59525%0.247SC*.Hα-helixtrans-71.3-52.5179.2-55.80000109.5D168 E172 S173 Q174D168-T170 VanDerWaalsContact C-N 3.29Å; D168-T170 PolarHBondContact O-N 3.41Å; D168-T170 WeakPolarHBondContact OD1-CB 3.32Å; D168-T170 PolarHBondContact OD1-N 3.07Å; T170-E172 VanDerWaalsContact C-N 3.32Å; T170-E172 PolarHBondContact O-N 3.28Å; T170-S173 PolarHBondContact O-N 3.49Å; T170-Q174 PolarHBondContact O-N 2.96Å
171T92.5Very high92.3Very high13 Ų1345.4 Ų45.48%0.0827%0.268CS..Hα-helixtrans-58-45.3176.1-65.60000111.3R144 L167 D168 S173 Q174 I175R144-T171 HydrophobicContact CG-CG2 4.47Å; R144-T171 PolarHBondContact NH1-OG1 3.24Å; R144-T171 VanDerWaalsContact NH1-OG1 3.14Å; L167-T171 HydrophobicContact CB-CG2 4.14Å; L167-T171 HydrophobicContact CD1-CG2 4.08Å; L167-T171 HydrophobicContact CD2-CG2 4.06Å; L167-T171 HydrophobicContact CG-CG2 4.31Å; D168-T171 PolarHBondContact O-N 3.32Å; D168-T171 PolarHBondContact OD1-N 3.46Å; D168-T171 PolarHBondContact OD1-OG1 3.46Å; D168-T171 VanDerWaalsContact OD2-CB 3.25Å; D168-T171 WeakPolarHBondContact OD2-CB 3.44Å; D168-T171 PolarHBondContact OD2-OG1 2.96Å; T171-S173 VanDerWaalsContact C-N 3.31Å; T171-S173 PolarHBondContact O-N 3.33Å; T171-Q174 PolarHBondContact O-N 3.35Å; T171-I175 HydrophobicContact CG2-CG1 4.24Å; T171-I175 WeakPolarHBondContact O-CG1 3.48Å; T171-I175 PolarHBondContact O-N 3.24Å
172E92.3Very high92.2Very high15 Ų1545.3 Ų45.37%0.0727%0.267CS..Hα-helixtrans-56.9-46.2179171.6-178.3-165.400111.5T164 L167 D168 T170 Q174 I175 L176 R194T164-E172 HydrophobicContact CG2-CG 4.14Å; L167-E172 HydrophobicContact CB-CB 4.22Å; D168-E172 VanDerWaalsContact O-CB 3.28Å; D168-E172 WeakPolarHBondContact O-CB 3.31Å; D168-E172 PolarHBondContact O-N 2.61Å; T170-E172 VanDerWaalsContact C-N 3.32Å; T170-E172 PolarHBondContact O-N 3.28Å; E172-Q174 VanDerWaalsContact C-N 3.32Å; E172-Q174 PolarHBondContact O-N 2.9Å; E172-I175 PolarHBondContact O-N 3.14Å; E172-L176 HydrophobicContact CG-CD1 3.85Å; E172-L176 HydrophobicContact CG-CG 4.19Å; E172-L176 WeakPolarHBondContact O-CG 3.42Å; E172-L176 PolarHBondContact O-N 3.07Å; E172-R194 WeakPolarHBondContact OE1-CD 3.44Å; E172-R194 IonicContact OE1-CZ 3.64Å; E172-R194 IonicContact OE1-NE 3.41Å; E172-R194 PolarHBondContact OE1-NE 2.9Å; E172-R194 IonicContact OE1-NH1 3.82Å; E172-R194 PolarHBondContact OE1-NH1 3.33Å; E172-R194 IonicContact OE1-NH2 2.97Å; E172-R194 IonicContact OE2-CZ 3.34Å; E172-R194 IonicContact OE2-NH1 2.62Å; E172-R194 PolarHBondContact OE2-NH1 3.46Å; E172-R194 IonicContact OE2-NH2 3.57Å
173S91.6Very high92.2Very high39 Ų3945.4 Ų45.427%0.27327%0.268SS..Hα-helixtrans-62.3-43.3-177-59.80000110.9A169 T170 T171 L176 E177A169-S173 PolarHBondContact O-N 2.81Å; A169-S173 PolarHBondContact O-OG 3.28Å; T170-S173 PolarHBondContact O-N 3.49Å; T171-S173 VanDerWaalsContact C-N 3.31Å; T171-S173 PolarHBondContact O-N 3.33Å; S173-L176 PolarHBondContact O-N 2.87Å; S173-E177 WeakPolarHBondContact O-CG 3.42Å; S173-E177 PolarHBondContact O-N 3.1Å; S173-E177 VanDerWaalsContact O-N 3.14Å
174Q92.3Very high92.3Very high99 Ų9953.8 Ų53.846%0.46330%0.299SS..Hα-helixtrans-60.8-45.2174.3-66.1170.8-8.300111.8T170 T171 E172 L176 E177 L178T170-Q174 PolarHBondContact O-N 2.96Å; T171-Q174 PolarHBondContact O-N 3.35Å; E172-Q174 VanDerWaalsContact C-N 3.32Å; E172-Q174 PolarHBondContact O-N 2.9Å; Q174-L176 PolarHBondContact O-N 3.49Å; Q174-E177 PolarHBondContact O-N 3.44Å; Q174-L178 WeakPolarHBondContact O-CG 3.42Å; Q174-L178 PolarHBondContact O-N 3.06Å; Q174-L178 VanDerWaalsContact O-N 3.07Å
175I93.5Very high92.3Very high2 Ų263 Ų631%0.0134%0.342CS..Hα-helixtrans-64.9-40.3178.3-70.5-48.2000112R144 I147 T164 L167 T171 E172 E177 L178 L179R144-I175 HydrophobicContact CG-CD1 3.94Å; R144-I175 HydrophobicContact CG-CG1 4.18Å; I147-I175 HydrophobicContact CD1-CB 4.5Å; I147-I175 HydrophobicContact CD1-CD1 4.12Å; I147-I175 HydrophobicContact CD1-CG1 4.26Å; I147-I175 HydrophobicContact CD1-CG2 3.45Å; I147-I175 VanDerWaalsContact CD1-CG2 3.45Å; T164-I175 HydrophobicContact CG2-CG2 4Å; L167-I175 HydrophobicContact CD1-CB 4.17Å; L167-I175 HydrophobicContact CD1-CG1 3.89Å; L167-I175 HydrophobicContact CD1-CG2 4.28Å; T171-I175 HydrophobicContact CG2-CG1 4.24Å; T171-I175 WeakPolarHBondContact O-CG1 3.48Å; T171-I175 PolarHBondContact O-N 3.24Å; E172-I175 PolarHBondContact O-N 3.14Å; I175-E177 VanDerWaalsContact C-N 3.28Å; I175-E177 PolarHBondContact O-N 2.88Å; I175-L178 HydrophobicContact CD1-CD1 3.89Å; I175-L178 PolarHBondContact O-N 2.97Å; I175-L179 HydrophobicContact CG2-CD1 3.76Å; I175-L179 HydrophobicContact CG2-CG 4.11Å; I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 VanDerWaalsContact O-CG 3.23Å; I175-L179 WeakPolarHBondContact O-CG 3.49Å; I175-L179 PolarHBondContact O-N 3.39Å
176L91.7Very high92.7Very high48 Ų4860.3 Ų60.325%0.25133%0.329SS..Hα-helixtrans-63.2-35.6177-74.3174.1000112.2T164 E172 S173 Q174 A180T164-L176 HydrophobicContact CG2-CD2 3.71Å; T164-L176 HydrophobicContact CG2-CG 3.95Å; E172-L176 HydrophobicContact CG-CD1 3.85Å; E172-L176 HydrophobicContact CG-CG 4.19Å; E172-L176 WeakPolarHBondContact O-CG 3.42Å; E172-L176 PolarHBondContact O-N 3.07Å; S173-L176 PolarHBondContact O-N 2.87Å; Q174-L176 PolarHBondContact O-N 3.49Å; L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.02Å
177E92.1Very high93.2Very high130 Ų13058 Ų5861%0.60730%0.301SS*.Hα-helixtrans-65.8-48.4174.1-72170.6-170.200111.2S173 Q174 I175 L179 A180 E181S173-E177 WeakPolarHBondContact O-CG 3.42Å; S173-E177 PolarHBondContact O-N 3.1Å; S173-E177 VanDerWaalsContact O-N 3.14Å; Q174-E177 PolarHBondContact O-N 3.44Å; I175-E177 VanDerWaalsContact C-N 3.28Å; I175-E177 PolarHBondContact O-N 2.88Å; E177-L179 VanDerWaalsContact C-N 3.33Å; E177-L179 PolarHBondContact O-N 3.47Å; E177-A180 WeakPolarHBondContact O-CB 3.42Å; E177-A180 PolarHBondContact O-N 3.03Å; E177-A180 VanDerWaalsContact O-N 3.16Å; E177-E181 PolarHBondContact O-N 3.16Å
178L93.6Very high93.5Very high20 Ų2057.3 Ų57.311%0.10530%0.297CS..Hα-helixtrans-60.2-41.5175.7-67.6169000112.7R114 V115 Q174 I175 E181 M182R114-L178 HydrophobicContact CB-CD2 4.42Å; R114-L178 WeakPolarHBondContact O-CD1 3.36Å; V115-L178 HydrophobicContact CG1-CD1 4.41Å; Q174-L178 WeakPolarHBondContact O-CG 3.42Å; Q174-L178 PolarHBondContact O-N 3.06Å; Q174-L178 VanDerWaalsContact O-N 3.07Å; I175-L178 HydrophobicContact CD1-CD1 3.89Å; I175-L178 PolarHBondContact O-N 2.97Å; L178-E181 PolarHBondContact O-N 3.16Å; L178-M182 WeakPolarHBondContact O-CB 3.35Å; L178-M182 PolarHBondContact O-N 2.96Å
179L93.5Very high93.9Very high4 Ų453.2 Ų53.22%0.02128%0.275CS..Hα-helixtrans-64.4-43.3175.9-70.6172.5000110.5I147 L160 P163 T164 I175 E177 E181 M182 M183I147-L179 HydrophobicContact CG2-CD2 4.35Å; L160-L179 HydrophobicContact CD1-CD2 4.15Å; L160-L179 HydrophobicContact CD2-CD2 4.13Å; P163-L179 HydrophobicContact CB-CD1 3.8Å; P163-L179 HydrophobicContact CG-CD1 3.81Å; T164-L179 HydrophobicContact CG2-CD1 4.47Å; I175-L179 HydrophobicContact CG2-CD1 3.76Å; I175-L179 HydrophobicContact CG2-CG 4.11Å; I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 VanDerWaalsContact O-CG 3.23Å; I175-L179 WeakPolarHBondContact O-CG 3.49Å; I175-L179 PolarHBondContact O-N 3.39Å; E177-L179 VanDerWaalsContact C-N 3.33Å; E177-L179 PolarHBondContact O-N 3.47Å; L179-E181 VanDerWaalsContact C-N 3.28Å; L179-E181 PolarHBondContact O-N 3.47Å; L179-M182 HydrophobicContact CD2-CE 3.67Å; L179-M182 PolarHBondContact O-N 2.67Å; L179-M183 HydrophobicContact CB-SD 4.45Å; L179-M183 VanDerWaalsContact O-CB 3.3Å; L179-M183 WeakPolarHBondContact O-CB 3.33Å; L179-M183 WeakPolarHBondContact O-CG 3.43Å; L179-M183 PolarHBondContact O-N 3.24Å
180A92.5Very high94.2Very high40 Ų4050.5 Ų50.533%0.33125%0.251SS..Hα-helixtrans-60.1-38.5176.600000112.2L176 E177L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.02Å; E177-A180 WeakPolarHBondContact O-CB 3.42Å; E177-A180 PolarHBondContact O-N 3.03Å; E177-A180 VanDerWaalsContact O-N 3.16Å
181E93.7Very high94.3Very high95 Ų9545.9 Ų45.944%0.44422%0.222SC..Hα-helixtrans-63.7-48172.8-70.5177.7-179.500112.4R114 E177 L178 L179 M183 R184R114-E181 IonicContact NH2-OE2 2.89Å; R114-E181 PolarHBondContact NH2-OE2 3.32Å; E177-E181 PolarHBondContact O-N 3.16Å; L178-E181 PolarHBondContact O-N 3.16Å; L179-E181 VanDerWaalsContact C-N 3.28Å; L179-E181 PolarHBondContact O-N 3.47Å; E181-M183 VanDerWaalsContact C-N 3.27Å; E181-M183 PolarHBondContact O-N 3.16Å; E181-R184 WeakPolarHBondContact O-CB 3.33Å; E181-R184 PolarHBondContact O-N 3.19Å; E181-R184 PolarHBondContact O-NE 3Å
182M93.8Very high94.3Very high11 Ų1145.5 Ų45.55%0.05422%0.22CC..Hα-helixtrans-61.7-36.7179.8-175.9-174.468.100112A150 L151 V158 L160 L178 L179 R184 K186A150-M182 HydrophobicContact CB-SD 4.45Å; L151-M182 HydrophobicContact CD2-CB 3.71Å; L151-M182 HydrophobicContact CD2-CG 3.72Å; L151-M182 HydrophobicContact CD2-SD 3.68Å; L151-M182 HydrophobicContact CG-SD 4.1Å; V158-M182 HydrophobicContact CG1-CE 3.51Å; V158-M182 HydrophobicContact CG2-CE 4.44Å; L160-M182 HydrophobicContact CD2-CE 4.05Å; L178-M182 WeakPolarHBondContact O-CB 3.35Å; L178-M182 PolarHBondContact O-N 2.96Å; L179-M182 HydrophobicContact CD2-CE 3.67Å; L179-M182 PolarHBondContact O-N 2.67Å; M182-R184 VanDerWaalsContact C-N 3.26Å; M182-R184 PolarHBondContact O-N 2.95Å; M182-K186 WeakPolarHBondContact O-CD 3.49Å; M182-K186 VanDerWaalsContact O-CE 3.26Å; M182-K186 WeakPolarHBondContact O-CE 3.48Å
183M94.7Very high93.9Very high17 Ų1749 Ų498%0.08424%0.237CC..THydrogen-bonded Turntrans-73.1-14.8-176.8-71.916954.300113.4H30 L160 L179 E181 E185 K186 V188 F201H30-M183 HydrophobicContact CB-CE 4.4Å; H30-M183 PolarHBondContact CE1-O 2.86Å; H30-M183 VanDerWaalsContact CE1-O 3.25Å; H30-M183 PolarHBondContact NE2-O 3.4Å; L160-M183 HydrophobicContact CD1-SD 4.28Å; L179-M183 HydrophobicContact CB-SD 4.45Å; L179-M183 VanDerWaalsContact O-CB 3.3Å; L179-M183 WeakPolarHBondContact O-CB 3.33Å; L179-M183 WeakPolarHBondContact O-CG 3.43Å; L179-M183 PolarHBondContact O-N 3.24Å; E181-M183 VanDerWaalsContact C-N 3.27Å; E181-M183 PolarHBondContact O-N 3.16Å; M183-E185 PolarHBondContact O-N 3.26Å; M183-K186 PolarHBondContact O-N 2.85Å; M183-V188 HydrophobicContact CB-CG2 3.85Å; M183-V188 HydrophobicContact CE-CB 4.29Å; M183-V188 HydrophobicContact CE-CG1 3.97Å; M183-V188 HydrophobicContact CE-CG2 4.19Å; M183-V188 HydrophobicContact CG-CB 4.48Å; M183-V188 HydrophobicContact CG-CG1 4.1Å; M183-V188 HydrophobicContact CG-CG2 3.66Å; M183-V188 HydrophobicContact SD-CG1 4.25Å; M183-F201 HydrophobicContact CE-CE1 4.24Å; M183-F201 HydrophobicContact CE-CE2 4.47Å; M183-F201 HydrophobicContact CE-CZ 3.85Å
184R94.7Very high93.3Very high175 Ų17550.2 Ų50.266%0.6624%0.235SC*.THydrogen-bonded Turntrans-58.2134179.3-69.3-170.6-63.7157-3110.4E181 M182 K186E181-R184 WeakPolarHBondContact O-CB 3.33Å; E181-R184 PolarHBondContact O-N 3.19Å; E181-R184 PolarHBondContact O-NE 3Å; M182-R184 VanDerWaalsContact C-N 3.26Å; M182-R184 PolarHBondContact O-N 2.95Å; R184-K186 PolarHBondContact O-N 3.43Å
185E93.4Very high92.5Very high198 Ų19847 Ų4793%0.92522%0.221SC*.THydrogen-bonded Turntrans62.510.4177-54.6174.517600114.9M183M183-E185 PolarHBondContact O-N 3.26Å
186K97.6Very high91.8Very high21 Ų2155.5 Ų55.59%0.09125%0.253CS..SBendtrans-111158.6179.4-63.3-169.9-172.5-169.90112.6G28 H30 D154 A155 V158 M182 M183 R184 V188G28-K186 CarbonylContact C-O 3.59Å; G28-K186 WeakPolarHBondContact CA-O 3.46Å; H30-K186 PolarHBondContact CD2-O 2.82Å; H30-K186 VanDerWaalsContact CD2-O 3.26Å; H30-K186 PolarHBondContact NE2-O 2.92Å; H30-K186 VanDerWaalsContact NE2-O 3.07Å; D154-K186 PolarHBondContact O-NZ 3.34Å; D154-K186 IonicContact OD1-NZ 3.75Å; D154-K186 PolarHBondContact OD1-NZ 3.39Å; A155-K186 WeakPolarHBondContact O-CD 3.43Å; A155-K186 PolarHBondContact O-NZ 2.91Å; V158-K186 HydrophobicContact CG2-CB 4.3Å; V158-K186 HydrophobicContact CG2-CD 3.59Å; M182-K186 WeakPolarHBondContact O-CD 3.49Å; M182-K186 VanDerWaalsContact O-CE 3.26Å; M182-K186 WeakPolarHBondContact O-CE 3.48Å; M183-K186 PolarHBondContact O-N 2.85Å; R184-K186 PolarHBondContact O-N 3.43Å; K186-V188 HydrophobicContact CB-CG2 4.39Å
187T98.2Very high91.4Very high21 Ų2154.8 Ų54.813%0.12926%0.258CS..EExtended strand (participates in β ladder)trans-84.7132167.4-490000108.5V25 G28 E29 P156 L157 V158V25-T187 HydrophobicContact CG1-CG2 3.46Å; V25-T187 VanDerWaalsContact CG1-CG2 3.46Å; G28-T187 PolarHBondContact N-OG1 3.41Å; E29-T187 WeakPolarHBondContact O-CA 3.49Å; P156-T187 PolarHBondContact O-N 3.41Å; L157-T187 WeakPolarHBondContact CA-O 3.31Å; L157-T187 HydrophobicContact CD1-CG2 3.7Å; V158-T187 PolarHBondContact N-O 3.08Å
188V97.9Very high91.1Very high0 Ų048.8 Ų48.80%023%0.229CC..EExtended strand (participates in β ladder)trans-134.5129.6-172.1-174.30000110.7E29 H30 I31 V158 L160 M183 K186 M190E29-V188 PolarHBondContact O-N 3.23Å; H30-V188 WeakPolarHBondContact CA-O 3.33Å; H30-V188 HydrophobicContact CB-CB 4.36Å; H30-V188 VanDerWaalsContact CD2-CG2 3.43Å; H30-V188 WeakPolarHBondContact CD2-CG2 3.49Å; I31-V188 PolarHBondContact N-O 3.35Å; V158-V188 HydrophobicContact CB-CG2 4.3Å; V158-V188 WeakPolarHBondContact O-CA 3.33Å; L160-V188 HydrophobicContact CD1-CG1 4.19Å; M183-V188 HydrophobicContact CB-CG2 3.85Å; M183-V188 HydrophobicContact CE-CB 4.29Å; M183-V188 HydrophobicContact CE-CG1 3.97Å; M183-V188 HydrophobicContact CE-CG2 4.19Å; M183-V188 HydrophobicContact CG-CB 4.48Å; M183-V188 HydrophobicContact CG-CG1 4.1Å; M183-V188 HydrophobicContact CG-CG2 3.66Å; M183-V188 HydrophobicContact SD-CG1 4.25Å; K186-V188 HydrophobicContact CB-CG2 4.39Å; V188-M190 HydrophobicContact CG1-CB 4.48Å
189L98Very high90.9Very high1 Ų151.8 Ų51.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-115.7117.7163.2-73.975.9000108.3M1 V25 I31 I33 L45 L48 L157 V158 L159 L160M1-L189 HydrophobicContact CE-CD1 3.7Å; M1-L189 HydrophobicContact CE-CD2 3.72Å; M1-L189 HydrophobicContact CE-CG 4.4Å; V25-L189 HydrophobicContact CG1-CD1 3.94Å; V25-L189 HydrophobicContact CG2-CD1 4.31Å; V25-L189 HydrophobicContact CG2-CD2 4.49Å; I31-L189 HydrophobicContact CB-CG 4.46Å; I31-L189 WeakPolarHBondContact O-CA 3.45Å; I33-L189 HydrophobicContact CD1-CB 4.22Å; I33-L189 HydrophobicContact CD1-CD2 4.14Å; L45-L189 HydrophobicContact CD2-CB 4.24Å; L48-L189 HydrophobicContact CD1-CD2 3.73Å; L157-L189 HydrophobicContact CD1-CD1 3.93Å; V158-L189 PolarHBondContact O-N 2.96Å; L159-L189 WeakPolarHBondContact CA-O 3.35Å; L159-L189 HydrophobicContact CD2-CB 3.9Å; L159-L189 HydrophobicContact CD2-CD1 4.17Å; L159-L189 HydrophobicContact CD2-CG 4.43Å; L160-L189 PolarHBondContact N-O 2.89Å
190M96.9Very high90.7Very high14 Ų1460.8 Ų60.87%0.06929%0.286CS..EExtended strand (participates in β ladder)trans-117.8112.8-178.9179.1171.4168.800110.9I31 A32 I33 L160 P163 V188 T192 F201I31-M190 PolarHBondContact O-N 3.31Å; A32-M190 CarbonylContact C-O 3.45Å; A32-M190 WeakPolarHBondContact CA-O 3.23Å; I33-M190 PolarHBondContact N-O 2.77Å; L160-M190 HydrophobicContact CB-CB 4.16Å; L160-M190 HydrophobicContact CB-CG 4.02Å; L160-M190 HydrophobicContact CD1-CB 4.4Å; L160-M190 HydrophobicContact CD1-CG 4.35Å; L160-M190 HydrophobicContact CD1-SD 4.2Å; L160-M190 CarbonylContact O-C 3.59Å; L160-M190 WeakPolarHBondContact O-CA 3.4Å; P163-M190 HydrophobicContact CG-CE 3.7Å; P163-M190 HydrophobicContact CG-SD 4.32Å; V188-M190 HydrophobicContact CG1-CB 4.48Å; M190-T192 HydrophobicContact CE-CG2 4.24Å; M190-T192 HydrophobicContact CG-CG2 4.41Å; M190-F201 HydrophobicContact CB-CE1 3.9Å; M190-F201 HydrophobicContact CB-CZ 4.02Å; M190-F201 HydrophobicContact CG-CZ 4.44Å; M190-F201 HydrophobicContact SD-CZ 3.76Å
191V96.5Very high90.8Very high0 Ų059.9 Ų59.90%027%0.274CS..EExtended strand (participates in β ladder)trans-77.2126.1165177.40000108.3I33 K41 L45 L160 D161 E162I33-V191 HydrophobicContact CB-CG2 4.14Å; I33-V191 HydrophobicContact CD1-CG2 4.26Å; I33-V191 WeakPolarHBondContact O-CA 3.16Å; K41-V191 HydrophobicContact CB-CB 4.45Å; K41-V191 HydrophobicContact CB-CG1 3.71Å; K41-V191 HydrophobicContact CB-CG2 3.82Å; K41-V191 HydrophobicContact CD-CG1 3.79Å; K41-V191 HydrophobicContact CG-CG1 4.36Å; L45-V191 HydrophobicContact CD1-CG2 3.72Å; L45-V191 HydrophobicContact CD2-CG2 4.49Å; L45-V191 HydrophobicContact CG-CG2 4.04Å; L160-V191 PolarHBondContact O-N 3.12Å; D161-V191 WeakPolarHBondContact OD1-CB 3.41Å; D161-V191 WeakPolarHBondContact OD1-CG1 3.26Å; E162-V191 WeakPolarHBondContact CA-O 3.44Å; E162-V191 HydrophobicContact CG-CG1 3.99Å; E162-V191 PolarHBondContact N-O 2.88Å
192T91.5Very high90.9Very high5 Ų559.9 Ų59.93%0.03128%0.275CS..  trans-153.6143.2179.4-178.70000111.2I33 L34 M190 R194 L198I33-T192 PolarHBondContact O-N 2.98Å; L34-T192 WeakPolarHBondContact CG-O 3.3Å; M190-T192 HydrophobicContact CE-CG2 4.24Å; M190-T192 HydrophobicContact CG-CG2 4.41Å; T192-R194 PolarHBondContact OG1-N 3.41Å; T192-R194 PolarHBondContact OG1-O 2.71Å; T192-L198 HydrophobicContact CG2-CD2 3.9Å
193H83.4Confident91.1Very high90 Ų9060.8 Ų60.842%0.41728%0.279SS..SBendtrans-92.9-10.216661.9-95.6000112E162E162-H193 IonicContact OE2-CE1 3.38Å; E162-H193 PolarHBondContact OE2-CE1 2.78Å; E162-H193 IonicContact OE2-CG 3.97Å; E162-H193 IonicContact OE2-ND1 2.76Å; E162-H193 PolarHBondContact OE2-ND1 3.04Å
194R80.2Confident91.2Very high64 Ų6460 Ų6024%0.24228%0.275CS..  trans-87131-178.6-56.7-174.4-175.3-122.312.2110.3T164 E172 T192T164-R194 PolarHBondContact O-NH2 3.39Å; T164-R194 WeakPolarHBondContact OG1-CD 3.38Å; T164-R194 PolarHBondContact OG1-NE 2.91Å; T164-R194 VanDerWaalsContact OG1-NE 3.1Å; E172-R194 WeakPolarHBondContact OE1-CD 3.44Å; E172-R194 IonicContact OE1-CZ 3.64Å; E172-R194 IonicContact OE1-NE 3.41Å; E172-R194 PolarHBondContact OE1-NE 2.9Å; E172-R194 IonicContact OE1-NH1 3.82Å; E172-R194 PolarHBondContact OE1-NH1 3.33Å; E172-R194 IonicContact OE1-NH2 2.97Å; E172-R194 IonicContact OE2-CZ 3.34Å; E172-R194 IonicContact OE2-NH1 2.62Å; E172-R194 PolarHBondContact OE2-NH1 3.46Å; E172-R194 IonicContact OE2-NH2 3.57Å; T192-R194 PolarHBondContact OG1-N 3.41Å; T192-R194 PolarHBondContact OG1-O 2.71Å
195L75.6Confident91.3Very high32 Ų3251.7 Ų51.717%0.16824%0.243CC..  trans-87.5-9.3179.7-62.6177.6000114.3L34 G197 L198 Y228 F231 K232 L235L34-L195 HydrophobicContact CD2-CD2 3.5Å; L34-L195 VanDerWaalsContact CD2-CD2 3.5Å; L195-G197 PolarHBondContact O-N 3.4Å; L195-L198 HydrophobicContact CB-CD1 4.46Å; L195-L198 HydrophobicContact CD2-CD1 3.72Å; L195-L198 PolarHBondContact O-N 3.17Å; L195-Y228 HydrophobicContact CD2-CE2 3.81Å; L195-F231 HydrophobicContact CD1-CB 4.44Å; L195-F231 WeakPolarHBondContact CD1-O 3.29Å; L195-K232 HydrophobicContact CD1-CB 3.72Å; L195-K232 HydrophobicContact CD1-CG 4.02Å; L195-L235 HydrophobicContact CD1-CD1 3.76Å; L195-L235 HydrophobicContact CG-CD1 3.92Å
196R79Confident91.4Very high179 Ų17942.3 Ų42.368%0.67520%0.2SC*.THydrogen-bonded Turntrans-65.9132.2-179-170.7176.1179.8-168-2.6110.3L198R196-L198 PolarHBondContact O-N 3.45Å
197G81.6Confident91.4Very high34 Ų3441.4 Ų41.435%0.35120%0.196SC..THydrogen-bonded Turntrans77.5-4175.800000115.6L195 S199 R200L195-G197 PolarHBondContact O-N 3.4Å; G197-S199 PolarHBondContact O-N 2.88Å; G197-S199 VanDerWaalsContact O-N 3.09Å; G197-R200 WeakPolarHBondContact O-CB 3.35Å; G197-R200 PolarHBondContact O-N 3.39Å
198L86.3Confident91.3Very high3 Ų342.4 Ų42.42%0.01620%0.2CC..G310 helixtrans-62.9-18.7-179.2-67.8-171.5000114.2A32 L34 T192 L195 R196 R200 F201 I204 Y228A32-L198 HydrophobicContact CB-CD2 3.53Å; L34-L198 HydrophobicContact CD1-CD1 3.87Å; L34-L198 HydrophobicContact CD2-CD1 3.93Å; L34-L198 HydrophobicContact CG-CD1 4.43Å; T192-L198 HydrophobicContact CG2-CD2 3.9Å; L195-L198 HydrophobicContact CB-CD1 4.46Å; L195-L198 HydrophobicContact CD2-CD1 3.72Å; L195-L198 PolarHBondContact O-N 3.17Å; R196-L198 PolarHBondContact O-N 3.45Å; L198-R200 PolarHBondContact O-N 3.36Å; L198-R200 VanDerWaalsContact O-N 3.15Å; L198-F201 HydrophobicContact CD2-CD2 4.08Å; L198-F201 HydrophobicContact CD2-CE2 4.17Å; L198-F201 PolarHBondContact O-N 3Å; L198-F201 VanDerWaalsContact O-N 3.15Å; L198-I204 HydrophobicContact CB-CD1 3.96Å; L198-I204 HydrophobicContact CD1-CD1 4.48Å; L198-Y228 HydrophobicContact CD1-CE2 4.06Å
199S89.2Confident91.1Very high84 Ų8446.6 Ų46.659%0.58722%0.223SC*.G310 helixtrans-63.5-14.8173.462.60000113.9G197G197-S199 PolarHBondContact O-N 2.88Å; G197-S199 VanDerWaalsContact O-N 3.09Å
200R89.4Confident91.1Very high192 Ų19246.5 Ų46.573%0.72522%0.222SC*.G310 helixtrans-87-15177-61.6179.4175.3175.5-2.7113.3G197 L198 Q202G197-R200 WeakPolarHBondContact O-CB 3.35Å; G197-R200 PolarHBondContact O-N 3.39Å; L198-R200 PolarHBondContact O-N 3.36Å; L198-R200 VanDerWaalsContact O-N 3.15Å; R200-Q202 PolarHBondContact O-NE2 2.87Å
201F94.6Very high91.1Very high21 Ų2150.5 Ų50.59%0.09224%0.241CC..  trans-78.9136.1179-76.2-107000109.5H30 A32 M183 M190 L198 Q203H30-F201 HydrophobicContact CB-CD1 3.77Å; H30-F201 HydrophobicContact CB-CE1 4.11Å; H30-F201 HydrophobicContact CB-CG 4.37Å; A32-F201 HydrophobicContact CB-CB 4.41Å; A32-F201 HydrophobicContact CB-CD1 3.7Å; A32-F201 HydrophobicContact CB-CD2 4.48Å; A32-F201 HydrophobicContact CB-CE1 4.03Å; A32-F201 HydrophobicContact CB-CG 3.94Å; A32-F201 VanDerWaalsContact N-CD1 3.27Å; M183-F201 HydrophobicContact CE-CE1 4.24Å; M183-F201 HydrophobicContact CE-CE2 4.47Å; M183-F201 HydrophobicContact CE-CZ 3.85Å; M190-F201 HydrophobicContact CB-CE1 3.9Å; M190-F201 HydrophobicContact CB-CZ 4.02Å; M190-F201 HydrophobicContact CG-CZ 4.44Å; M190-F201 HydrophobicContact SD-CZ 3.76Å; L198-F201 HydrophobicContact CD2-CD2 4.08Å; L198-F201 HydrophobicContact CD2-CE2 4.17Å; L198-F201 PolarHBondContact O-N 3Å; L198-F201 VanDerWaalsContact O-N 3.15Å; F201-Q203 PolarHBondContact O-N 3.02Å
202Q96.4Very high91.2Very high96 Ų9652.6 Ų52.645%0.44925%0.252SS..SBendtrans-68.1-30.7177.4-66.874.638.600110.7E29 H30 R200E29-Q202 HydrophobicContact CG-CB 4.25Å; H30-Q202 VanDerWaalsContact CB-OE1 3.23Å; H30-Q202 PolarHBondContact O-N 3.49Å; H30-Q202 VanDerWaalsContact O-N 3.14Å; H30-Q202 PolarHBondContact O-OE1 3.32Å; R200-Q202 PolarHBondContact O-NE2 2.87Å
203Q96.9Very high91.4Very high29 Ų2956 Ų5614%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-140142.4179.7-169.8165.3-106.300111.9H30 I31 A32 F201 I205 Q215H30-Q203 PolarHBondContact O-N 3.22Å; I31-Q203 VanDerWaalsContact CA-O 3.3Å; I31-Q203 WeakPolarHBondContact CA-O 3.24Å; I31-Q203 HydrophobicContact CG1-CB 4.17Å; I31-Q203 HydrophobicContact CG2-CB 4.46Å; A32-Q203 PolarHBondContact N-O 2.93Å; F201-Q203 PolarHBondContact O-N 3.02Å; Q203-I205 HydrophobicContact CG-CG1 4.48Å; Q203-Q215 HydrophobicContact CG-CG 3.94Å
204I97.2Very high92.1Very high0 Ų052.8 Ų52.80%025%0.254CS..EExtended strand (participates in β ladder)trans-122.3130.6173.3-59.6179000107.4A32 L34 L198 Q215 G216 H218 L221 Y228A32-I204 HydrophobicContact CB-CG1 4.36Å; A32-I204 CarbonylContact O-C 3.59Å; A32-I204 WeakPolarHBondContact O-CA 3.2Å; L34-I204 HydrophobicContact CD1-CG2 3.32Å; L198-I204 HydrophobicContact CB-CD1 3.96Å; L198-I204 HydrophobicContact CD1-CD1 4.48Å; I204-Q215 WeakPolarHBondContact O-CA 3.38Å; I204-G216 PolarHBondContact N-O 2.89Å; I204-G216 PolarHBondContact O-N 3.1Å; I204-G216 VanDerWaalsContact O-N 3.09Å; I204-H218 HydrophobicContact CD1-CB 3.96Å; I204-L221 HydrophobicContact CB-CD1 3.6Å; I204-L221 HydrophobicContact CG2-CD1 3.61Å; I204-Y228 HydrophobicContact CD1-CE1 4.4Å; I204-Y228 HydrophobicContact CD1-CE2 4.02Å; I204-Y228 WeakPolarHBondContact CD1-OH 3.24Å; I204-Y228 HydrophobicContact CG2-CD2 3.94Å; I204-Y228 HydrophobicContact CG2-CE2 3.8Å
205I97.1Very high92.9Very high1 Ų153 Ų531%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-113.6132.2176.8-63.3175.7000107.8L23 I31 A32 I33 L34 Q203 M207 I212 E214 Q215L23-I205 HydrophobicContact CD1-CD1 3.42Å; L23-I205 VanDerWaalsContact CD1-CD1 3.42Å; L23-I205 HydrophobicContact CD2-CD1 3.56Å; L23-I205 HydrophobicContact CG-CD1 4.12Å; I31-I205 HydrophobicContact CG2-CD1 3.51Å; I31-I205 HydrophobicContact CG2-CG1 3.82Å; A32-I205 PolarHBondContact O-N 3.27Å; I33-I205 WeakPolarHBondContact CA-O 3.41Å; L34-I205 PolarHBondContact N-O 3.43Å; Q203-I205 HydrophobicContact CG-CG1 4.48Å; I205-M207 HydrophobicContact CG2-CG 4.05Å; I205-I212 HydrophobicContact CD1-CD1 4.34Å; I205-I212 HydrophobicContact CG2-CB 4.27Å; I205-I212 HydrophobicContact CG2-CD1 3.92Å; I205-I212 HydrophobicContact CG2-CG1 3.65Å; I205-I212 HydrophobicContact CG2-CG2 3.84Å; I205-E214 WeakPolarHBondContact CA-O 3.31Å; I205-Q215 HydrophobicContact CG1-CG 4.31Å
206V96.4Very high93.9Very high1 Ų151.9 Ų51.91%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-107.7120.9167.3-173.80000109L34 I213 E214 R227 Y228 F231L34-V206 WeakPolarHBondContact O-CA 3.43Å; V206-I213 HydrophobicContact CB-CG1 4.13Å; V206-I213 HydrophobicContact CG1-CD1 3.98Å; V206-I213 HydrophobicContact CG1-CG1 3.94Å; V206-I213 VanDerWaalsContact O-CG1 3.28Å; V206-I213 WeakPolarHBondContact O-CG1 3.12Å; V206-I213 PolarHBondContact O-N 2.93Å; V206-E214 HydrophobicContact CB-CB 4.05Å; V206-E214 HydrophobicContact CG2-CB 4.14Å; V206-E214 PolarHBondContact N-O 3.19Å; V206-E214 PolarHBondContact O-N 2.88Å; V206-R227 HydrophobicContact CG1-CB 4.08Å; V206-R227 HydrophobicContact CG1-CG 3.9Å; V206-Y228 HydrophobicContact CG2-CD2 4.21Å; V206-F231 HydrophobicContact CG1-CE2 3.8Å
207M96.8Very high94.7Very high2 Ų245.8 Ų45.81%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-101.5138.3174.6-67.2-17970.200111.6L18 I21 I33 L34 G35 C39 K41 L44 I205 Q211 I212L18-M207 HydrophobicContact CD2-CE 3.63Å; I21-M207 HydrophobicContact CD1-CE 3.95Å; I33-M207 HydrophobicContact CG2-CG 4.04Å; I33-M207 HydrophobicContact CG2-SD 3.6Å; I33-M207 VanDerWaalsContact CG2-SD 3.6Å; L34-M207 PolarHBondContact O-N 3.23Å; G35-M207 VanDerWaalsContact CA-O 3.23Å; G35-M207 WeakPolarHBondContact CA-O 3.12Å; C39-M207 PolarHBondContact SG-O 3.19Å; C39-M207 VanDerWaalsContact SG-O 3.35Å; K41-M207 HydrophobicContact CG-CB 4.5Å; K41-M207 HydrophobicContact CG-SD 4.15Å; L44-M207 HydrophobicContact CD2-SD 4Å; I205-M207 HydrophobicContact CG2-CG 4.05Å; M207-Q211 CarbonylContact C-O 3.5Å; M207-Q211 WeakPolarHBondContact CA-O 3.34Å; M207-I212 HydrophobicContact CG-CG1 4.3Å
208D95.5Very high95.3Very high42 Ų4246 Ų4623%0.22523%0.228CC..EExtended strand (participates in β ladder)trans-140.8135.8169.3-165.236000110.1G210 Q211 I213D208-G210 PolarHBondContact O-N 3.12Å; D208-Q211 PolarHBondContact N-O 3.05Å; D208-Q211 PolarHBondContact O-N 3.28Å; D208-I213 HydrophobicContact CB-CD1 3.76Å; D208-I213 HydrophobicContact CB-CG1 4.2Å; D208-I213 HydrophobicContact CB-CG2 4.01Å
209N95.1Very high95.7Very high88 Ų8849.1 Ų49.147%0.47126%0.255SS..THydrogen-bonded Turntrans45.340.4178-66.8-41.5000116K19K19-N209 WeakPolarHBondContact CD-O 3.44Å; K19-N209 WeakPolarHBondContact CE-O 3.27Å; K19-N209 PolarHBondContact NZ-O 3.35Å
210G96.8Very high96.1Very high0 Ų049.7 Ų49.70%025%0.248CC..THydrogen-bonded Turntrans82.112.7178.200000115.1A17 K19 I21 C39 D208A17-G210 WeakPolarHBondContact O-CA 3.47Å; K19-G210 PolarHBondContact N-O 2.87Å; I21-G210 VanDerWaalsContact CD1-O 3.27Å; I21-G210 WeakPolarHBondContact CD1-O 3.28Å; C39-G210 VanDerWaalsContact O-CA 3.3Å; C39-G210 WeakPolarHBondContact O-CA 3.19Å; C39-G210 PolarHBondContact O-N 3.01Å; D208-G210 PolarHBondContact O-N 3.12Å
211Q97.9Very high96.4Very high97 Ų9740.5 Ų40.545%0.45321%0.213SC..EExtended strand (participates in β ladder)trans-128.3152-179.5-64.9-175.7-4000111.4K19 M207 D208K19-Q211 HydrophobicContact CB-CG 3.81Å; K19-Q211 HydrophobicContact CD-CG 4.49Å; K19-Q211 HydrophobicContact CG-CG 4.47Å; K19-Q211 PolarHBondContact O-NE2 3.09Å; M207-Q211 CarbonylContact C-O 3.5Å; M207-Q211 WeakPolarHBondContact CA-O 3.34Å; D208-Q211 PolarHBondContact N-O 3.05Å; D208-Q211 PolarHBondContact O-N 3.28Å
212I97.6Very high96.3Very high45 Ų4541.3 Ų41.323%0.23122%0.218CC..EExtended strand (participates in β ladder)trans-80.2117.6166.2-64.6174.7000107.7I21 L23 I205 M207 Q215I21-I212 HydrophobicContact CD1-CG1 4Å; I21-I212 HydrophobicContact CG2-CD1 4.02Å; L23-I212 HydrophobicContact CB-CD1 4.33Å; I205-I212 HydrophobicContact CD1-CD1 4.34Å; I205-I212 HydrophobicContact CG2-CB 4.27Å; I205-I212 HydrophobicContact CG2-CD1 3.92Å; I205-I212 HydrophobicContact CG2-CG1 3.65Å; I205-I212 HydrophobicContact CG2-CG2 3.84Å; M207-I212 HydrophobicContact CG-CG1 4.3Å; I212-Q215 HydrophobicContact CG2-CB 4.33Å
213I96.8Very high96.3Very high77 Ų7740.6 Ų40.640%0.39523%0.229SC..EExtended strand (participates in β ladder)trans-103.3-24.218059.8161.7000112.8V206 D208 R227V206-I213 HydrophobicContact CB-CG1 4.13Å; V206-I213 HydrophobicContact CG1-CD1 3.98Å; V206-I213 HydrophobicContact CG1-CG1 3.94Å; V206-I213 VanDerWaalsContact O-CG1 3.28Å; V206-I213 WeakPolarHBondContact O-CG1 3.12Å; V206-I213 PolarHBondContact O-N 2.93Å; D208-I213 HydrophobicContact CB-CD1 3.76Å; D208-I213 HydrophobicContact CB-CG1 4.2Å; D208-I213 HydrophobicContact CB-CG2 4.01Å; I213-R227 HydrophobicContact CD1-CB 3.84Å; I213-R227 HydrophobicContact CD1-CG 3.98Å
214E96.9Very high96.2Very high21 Ų2146.1 Ų46.110%0.09825%0.249CC..EExtended strand (participates in β ladder)trans-143.6146.1173.3-64.9-177.6-95.200110.6I205 V206 L221 R227 Y228I205-E214 WeakPolarHBondContact CA-O 3.31Å; V206-E214 HydrophobicContact CB-CB 4.05Å; V206-E214 HydrophobicContact CG2-CB 4.14Å; V206-E214 PolarHBondContact N-O 3.19Å; V206-E214 PolarHBondContact O-N 2.88Å; E214-L221 HydrophobicContact CB-CD2 3.89Å; E214-R227 WeakPolarHBondContact OE1-CA 3.37Å; E214-R227 WeakPolarHBondContact OE1-CB 3.24Å; E214-R227 PolarHBondContact OE1-N 2.95Å; E214-Y228 PolarHBondContact OE1-N 3.02Å
215Q97Very high96Very high70 Ų7052.3 Ų52.333%0.32728%0.277SS..EExtended strand (participates in β ladder)trans-148.8135.2176.4-176.8176.6-11.600109.4Q203 I204 I205 I212 R224Q203-Q215 HydrophobicContact CG-CG 3.94Å; I204-Q215 WeakPolarHBondContact O-CA 3.38Å; I205-Q215 HydrophobicContact CG1-CG 4.31Å; I212-Q215 HydrophobicContact CG2-CB 4.33Å; Q215-R224 PolarHBondContact O-NH1 2.88Å
216G96.7Very high95.8Very high8 Ų853.2 Ų53.28%0.08229%0.287CS..EExtended strand (participates in β ladder)trans162.2-176176.300000112.6I204 E220I204-G216 PolarHBondContact N-O 2.89Å; I204-G216 PolarHBondContact O-N 3.1Å; I204-G216 VanDerWaalsContact O-N 3.09Å; G216-E220 WeakPolarHBondContact CA-OE2 3.27Å
217T96.1Very high95.6Very high50 Ų5055.9 Ų55.931%0.30730%0.297SS..  trans-71.6164.6172.868.50000111.4A219 E220 L221T217-A219 VanDerWaalsContact C-N 3.27Å; T217-A219 PolarHBondContact O-N 3.07Å; T217-E220 PolarHBondContact N-OE2 3.34Å; T217-E220 PolarHBondContact O-N 3.12Å; T217-E220 VanDerWaalsContact OG1-CG 3.24Å; T217-E220 WeakPolarHBondContact OG1-CG 3.49Å; T217-E220 PolarHBondContact OG1-N 3.34Å; T217-E220 PolarHBondContact OG1-OE2 3.38Å; T217-L221 WeakPolarHBondContact O-CG 3.39Å; T217-L221 PolarHBondContact O-N 3.09Å
218H95.2Very high95.5Very high39 Ų3955.8 Ų55.818%0.18130%0.296CS..Hα-helixtrans-51-45.7173.7-176.470.4000113.1I204 L222 Y228I204-H218 HydrophobicContact CD1-CB 3.96Å; H218-L222 WeakPolarHBondContact NE2-CD1 3.27Å; H218-L222 VanDerWaalsContact O-CG 3.31Å; H218-L222 WeakPolarHBondContact O-CG 3.1Å; H218-L222 PolarHBondContact O-N 3.49Å; H218-Y228 AromaticContact CE1-CE1 3.98Å; H218-Y228 PolarHBondContact CE1-OH 3.37Å; H218-Y228 VanDerWaalsContact CE1-OH 3.23Å; H218-Y228 AromaticContact ND1-CE1 3.57Å; H218-Y228 AromaticContact ND1-CZ 3.56Å; H218-Y228 PolarHBondContact ND1-OH 3.34Å
219A94.4Very high95.3Very high69 Ų6957.1 Ų57.157%0.5730%0.299SS*.Hα-helixtrans-68.6-43.9-177.600000112T217 L222 A223T217-A219 VanDerWaalsContact C-N 3.27Å; T217-A219 PolarHBondContact O-N 3.07Å; A219-L222 PolarHBondContact O-N 3.06Å; A219-A223 WeakPolarHBondContact O-CB 3.47Å; A219-A223 PolarHBondContact O-N 2.92Å
220E96.9Very high95.1Very high95 Ų9557.7 Ų57.744%0.44430%0.299SS..Hα-helixtrans-61.8-45.2178.8-71.116716000111.8G216 T217 L222 A223 R224G216-E220 WeakPolarHBondContact CA-OE2 3.27Å; T217-E220 PolarHBondContact N-OE2 3.34Å; T217-E220 PolarHBondContact O-N 3.12Å; T217-E220 VanDerWaalsContact OG1-CG 3.24Å; T217-E220 WeakPolarHBondContact OG1-CG 3.49Å; T217-E220 PolarHBondContact OG1-N 3.34Å; T217-E220 PolarHBondContact OG1-OE2 3.38Å; E220-L222 PolarHBondContact O-N 3.27Å; E220-A223 PolarHBondContact O-N 3.15Å; E220-R224 WeakPolarHBondContact O-CG 3.3Å; E220-R224 PolarHBondContact O-N 3.33Å
221L95.7Very high94.6Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-68.5-33.9-178.9-67.3-174.2000112.7I204 E214 T217 Y228I204-L221 HydrophobicContact CB-CD1 3.6Å; I204-L221 HydrophobicContact CG2-CD1 3.61Å; E214-L221 HydrophobicContact CB-CD2 3.89Å; T217-L221 WeakPolarHBondContact O-CG 3.39Å; T217-L221 PolarHBondContact O-N 3.09Å; L221-Y228 HydrophobicContact CB-CD1 3.39Å; L221-Y228 HydrophobicContact CB-CE1 4.16Å; L221-Y228 HydrophobicContact CB-CG 3.8Å; L221-Y228 HydrophobicContact CD1-CD1 4.14Å; L221-Y228 HydrophobicContact CD1-CD2 4.22Å; L221-Y228 HydrophobicContact CD1-CG 3.86Å; L221-Y228 HydrophobicContact CG-CD1 4.44Å
222L93.6Very high93.9Very high37 Ų3759.5 Ų59.519%0.19431%0.305CS..Hα-helixtrans-67.4-40.6172.4-70.4179.8000112.2H218 A219 E220 R224 Q225 Y228 Y229 K232H218-L222 WeakPolarHBondContact NE2-CD1 3.27Å; H218-L222 VanDerWaalsContact O-CG 3.31Å; H218-L222 WeakPolarHBondContact O-CG 3.1Å; H218-L222 PolarHBondContact O-N 3.49Å; A219-L222 PolarHBondContact O-N 3.06Å; E220-L222 PolarHBondContact O-N 3.27Å; L222-R224 VanDerWaalsContact C-N 3.29Å; L222-R224 PolarHBondContact O-N 2.84Å; L222-Q225 PolarHBondContact O-N 3.44Å; L222-Y228 HydrophobicContact CD2-CD1 4.01Å; L222-Y228 HydrophobicContact CD2-CE1 3.88Å; L222-Y228 HydrophobicContact CG-CD1 4.34Å; L222-Y228 HydrophobicContact CG-CE1 4.06Å; L222-Y229 HydrophobicContact CD2-CD2 4.02Å; L222-K232 HydrophobicContact CD1-CD 4.29Å; L222-K232 HydrophobicContact CD2-CB 4.47Å; L222-K232 HydrophobicContact CD2-CD 3.51Å
223A95.6Very high93.1Very high82 Ų8263.3 Ų63.368%0.67832%0.322SS*.Hα-helixtrans-64.3-34178.200000112.3A219 E220 Q225A219-A223 WeakPolarHBondContact O-CB 3.47Å; A219-A223 PolarHBondContact O-N 2.92Å; E220-A223 PolarHBondContact O-N 3.15Å; A223-Q225 PolarHBondContact O-N 3.32Å
224R95.6Very high91.8Very high145 Ų14562.9 Ų62.955%0.54734%0.337SS..THydrogen-bonded Turntrans-68.7-18176-71.9177.1-171.1167.77114Q215 E220 L222 G226Q215-R224 PolarHBondContact O-NH1 2.88Å; E220-R224 WeakPolarHBondContact O-CG 3.3Å; E220-R224 PolarHBondContact O-N 3.33Å; L222-R224 VanDerWaalsContact C-N 3.29Å; L222-R224 PolarHBondContact O-N 2.84Å; R224-G226 PolarHBondContact O-N 3.19Å; R224-G226 VanDerWaalsContact O-N 3.12Å
225Q92.4Very high89.7Confident129 Ų12969.9 Ų69.960%0.60337%0.374SS*.THydrogen-bonded Turntrans52.531.6-177.5-61.6-173.8-15.400114.1L222 A223 Y229L222-Q225 PolarHBondContact O-N 3.44Å; A223-Q225 PolarHBondContact O-N 3.32Å; Q225-Y229 HydrophobicContact CB-CD1 4.2Å; Q225-Y229 HydrophobicContact CB-CG 4.24Å; Q225-Y229 HydrophobicContact CG-CD1 4.42Å; Q225-Y229 HydrophobicContact CG-CD2 4.27Å; Q225-Y229 HydrophobicContact CG-CE2 4.37Å; Q225-Y229 HydrophobicContact CG-CG 4.31Å
226G93.9Very high89.4Confident20 Ų2069.9 Ų69.921%0.20638%0.376CS..SBendtrans-80.6-152-179.900000114.2R224 Y228 Y229 Q230R224-G226 PolarHBondContact O-N 3.19Å; R224-G226 VanDerWaalsContact O-N 3.12Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 3.43Å; G226-Y229 WeakPolarHBondContact O-CB 3.36Å; G226-Y229 PolarHBondContact O-N 2.79Å; G226-Q230 WeakPolarHBondContact O-CG 3.42Å; G226-Q230 PolarHBondContact O-N 3.2Å
227R91.9Very high89Confident57 Ų5773.1 Ų73.122%0.21539%0.392CS..Hα-helixtrans-60.9-39.6176.5-165.366.8162.8168.9-15.7112.1V206 I213 E214 Y229 Q230 F231V206-R227 HydrophobicContact CG1-CB 4.08Å; V206-R227 HydrophobicContact CG1-CG 3.9Å; I213-R227 HydrophobicContact CD1-CB 3.84Å; I213-R227 HydrophobicContact CD1-CG 3.98Å; E214-R227 WeakPolarHBondContact OE1-CA 3.37Å; E214-R227 WeakPolarHBondContact OE1-CB 3.24Å; E214-R227 PolarHBondContact OE1-N 2.95Å; R227-Y229 VanDerWaalsContact C-N 3.32Å; R227-Y229 PolarHBondContact O-N 2.71Å; R227-Q230 WeakPolarHBondContact O-CB 3.33Å; R227-Q230 PolarHBondContact O-N 2.81Å; R227-F231 HydrophobicContact CG-CD2 4.31Å; R227-F231 HydrophobicContact CG-CE2 3.72Å; R227-F231 HydrophobicContact CG-CZ 3.92Å; R227-F231 WeakPolarHBondContact O-CD2 3.49Å; R227-F231 PolarHBondContact O-N 3.08Å
228Y93.7Very high88.6Confident0 Ų074.4 Ų74.40%040%0.397CS..Hα-helixtrans-57.8-46.4175.6-176.4-108.2000111.9L34 L195 L198 I204 V206 E214 H218 L221 L222 G226 Q230 F231 K232L34-Y228 HydrophobicContact CD1-CD2 4.42Å; L34-Y228 HydrophobicContact CD1-CE2 4.15Å; L34-Y228 HydrophobicContact CD2-CE2 4.38Å; L195-Y228 HydrophobicContact CD2-CE2 3.81Å; L198-Y228 HydrophobicContact CD1-CE2 4.06Å; I204-Y228 HydrophobicContact CD1-CE1 4.4Å; I204-Y228 HydrophobicContact CD1-CE2 4.02Å; I204-Y228 WeakPolarHBondContact CD1-OH 3.24Å; I204-Y228 HydrophobicContact CG2-CD2 3.94Å; I204-Y228 HydrophobicContact CG2-CE2 3.8Å; V206-Y228 HydrophobicContact CG2-CD2 4.21Å; E214-Y228 PolarHBondContact OE1-N 3.02Å; H218-Y228 AromaticContact CE1-CE1 3.98Å; H218-Y228 PolarHBondContact CE1-OH 3.37Å; H218-Y228 VanDerWaalsContact CE1-OH 3.23Å; H218-Y228 AromaticContact ND1-CE1 3.57Å; H218-Y228 AromaticContact ND1-CZ 3.56Å; H218-Y228 PolarHBondContact ND1-OH 3.34Å; L221-Y228 HydrophobicContact CB-CD1 3.39Å; L221-Y228 HydrophobicContact CB-CE1 4.16Å; L221-Y228 HydrophobicContact CB-CG 3.8Å; L221-Y228 HydrophobicContact CD1-CD1 4.14Å; L221-Y228 HydrophobicContact CD1-CD2 4.22Å; L221-Y228 HydrophobicContact CD1-CG 3.86Å; L221-Y228 HydrophobicContact CG-CD1 4.44Å; L222-Y228 HydrophobicContact CD2-CD1 4.01Å; L222-Y228 HydrophobicContact CD2-CE1 3.88Å; L222-Y228 HydrophobicContact CG-CD1 4.34Å; L222-Y228 HydrophobicContact CG-CE1 4.06Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 3.43Å; Y228-Q230 VanDerWaalsContact C-N 3.35Å; Y228-Q230 PolarHBondContact O-N 3.15Å; Y228-F231 PolarHBondContact O-N 3.36Å; Y228-K232 PolarHBondContact O-N 3.22Å
229Y91.7Very high88.2Confident70 Ų7076.5 Ų76.528%0.27541%0.409SS..Hα-helixtrans-61.6-42.5176.1179.1-93000111.5L222 Q225 G226 R227 F231 K232 Q233L222-Y229 HydrophobicContact CD2-CD2 4.02Å; Q225-Y229 HydrophobicContact CB-CD1 4.2Å; Q225-Y229 HydrophobicContact CB-CG 4.24Å; Q225-Y229 HydrophobicContact CG-CD1 4.42Å; Q225-Y229 HydrophobicContact CG-CD2 4.27Å; Q225-Y229 HydrophobicContact CG-CE2 4.37Å; Q225-Y229 HydrophobicContact CG-CG 4.31Å; G226-Y229 WeakPolarHBondContact O-CB 3.36Å; G226-Y229 PolarHBondContact O-N 2.79Å; R227-Y229 VanDerWaalsContact C-N 3.32Å; R227-Y229 PolarHBondContact O-N 2.71Å; Y229-F231 VanDerWaalsContact C-N 3.35Å; Y229-F231 PolarHBondContact O-N 2.92Å; Y229-K232 WeakPolarHBondContact O-CA 3.44Å; Y229-K232 WeakPolarHBondContact O-CB 3.4Å; Y229-K232 PolarHBondContact O-N 2.71Å; Y229-Q233 HydrophobicContact CD1-CG 3.99Å; Y229-Q233 HydrophobicContact CE1-CG 3.58Å; Y229-Q233 WeakPolarHBondContact O-CG 3.18Å; Y229-Q233 PolarHBondContact O-N 2.72Å; Y229-Q233 VanDerWaalsContact O-N 3.07Å
230Q89.8Confident87.8Confident101 Ų10176.9 Ų76.947%0.47240%0.399SS..Hα-helixtrans-60.1-41.1175.5-67.8172.14.700112.8G226 R227 Y228 K232 Q233 G234G226-Q230 WeakPolarHBondContact O-CG 3.42Å; G226-Q230 PolarHBondContact O-N 3.2Å; R227-Q230 WeakPolarHBondContact O-CB 3.33Å; R227-Q230 PolarHBondContact O-N 2.81Å; Y228-Q230 VanDerWaalsContact C-N 3.35Å; Y228-Q230 PolarHBondContact O-N 3.15Å; Q230-K232 PolarHBondContact O-N 2.67Å; Q230-Q233 PolarHBondContact O-N 2.79Å; Q230-G234 PolarHBondContact O-N 3.39Å
231F87.2Confident87.2Confident49 Ų4975.7 Ų75.722%0.21540%0.396CS..Hα-helixtrans-60-34.3174.3-70.1-44.8000112L195 V206 R227 Y228 Y229L195-F231 HydrophobicContact CD1-CB 4.44Å; L195-F231 WeakPolarHBondContact CD1-O 3.29Å; V206-F231 HydrophobicContact CG1-CE2 3.8Å; R227-F231 HydrophobicContact CG-CD2 4.31Å; R227-F231 HydrophobicContact CG-CE2 3.72Å; R227-F231 HydrophobicContact CG-CZ 3.92Å; R227-F231 WeakPolarHBondContact O-CD2 3.49Å; R227-F231 PolarHBondContact O-N 3.08Å; Y228-F231 PolarHBondContact O-N 3.36Å; Y229-F231 VanDerWaalsContact C-N 3.35Å; Y229-F231 PolarHBondContact O-N 2.92Å
232K82.9Confident86.6Confident86 Ų8681.1 Ų81.137%0.37443%0.425SS..Hα-helixtrans-73.3-30.6177.4-165.6174.4179.51800113.9L195 L222 Y228 Y229 Q230L195-K232 HydrophobicContact CD1-CB 3.72Å; L195-K232 HydrophobicContact CD1-CG 4.02Å; L222-K232 HydrophobicContact CD1-CD 4.29Å; L222-K232 HydrophobicContact CD2-CB 4.47Å; L222-K232 HydrophobicContact CD2-CD 3.51Å; Y228-K232 PolarHBondContact O-N 3.22Å; Y229-K232 WeakPolarHBondContact O-CA 3.44Å; Y229-K232 WeakPolarHBondContact O-CB 3.4Å; Y229-K232 PolarHBondContact O-N 2.71Å; Q230-K232 PolarHBondContact O-N 2.67Å
233Q81.1Confident86Confident124 Ų12484.5 Ų84.558%0.57944%0.442SS*.Hα-helixtrans-82.4-23.5177.8-61.8-63.290.200113.2Y229 Q230Y229-Q233 HydrophobicContact CD1-CG 3.99Å; Y229-Q233 HydrophobicContact CE1-CG 3.58Å; Y229-Q233 WeakPolarHBondContact O-CG 3.18Å; Y229-Q233 PolarHBondContact O-N 2.72Å; Y229-Q233 VanDerWaalsContact O-N 3.07Å; Q230-Q233 PolarHBondContact O-N 2.79Å
234G70.3Confident85.2Confident69 Ų6984.8 Ų84.871%0.71142%0.423SS*.  trans-96.23-174.600000115.8Q230Q230-G234 PolarHBondContact O-N 3.39Å
235L52.6Low84.3Confident167 Ų16779.3 Ų79.387%0.87441%0.411SS*.  trans-1110173-75.5169.1000109.2L195L195-L235 HydrophobicContact CD1-CD1 3.76Å; L195-L235 HydrophobicContact CG-CD1 3.92Å

Retrieved 235 of 235 residues in 592.5 ms (Link to these results)

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