A0A5K4EDH5_SCHMA Loading...

Putative ubiquitin (Ribosomal protein L40)

AlphaFold DB , UniProt , Accession A0A5K4EDH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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
1M96.5Very high95.6Very high61 Ų6165.1 Ų65.130%0.335%0.346SS..  0152.2069176.6177.600108.6I3 V17 P19 L56 K63M1-I3 HydrophobicContact CE-CG2 4.43Å; M1-V17 HydrophobicContact CE-CG2 4.04Å; M1-V17 HydrophobicContact CG-CG2 3.86Å; M1-V17 WeakPolarHBondContact CG-O 3.43Å; M1-V17 PolarHBondContact N-O 3.3Å; M1-V17 WeakPolarHBondContact O-CG2 3.11Å; M1-V17 PolarHBondContact O-N 2.97Å; M1-V17 VanDerWaalsContact O-O 3.12Å; M1-P19 HydrophobicContact CE-CB 4.44Å; M1-P19 HydrophobicContact CE-CG 4.05Å; M1-P19 HydrophobicContact SD-CG 4.19Å; M1-L56 HydrophobicContact CE-CD1 4.13Å; M1-K63 HydrophobicContact CB-CB 4.34Å; M1-K63 HydrophobicContact SD-CB 4.46Å
2Q97.9Very high95.7Very high82 Ų8265.9 Ų65.938%0.38336%0.355SS..EExtended strand (participates in β ladder)trans-91.7136.1177.8-73.51798.500111.3T14 L15 E16 E64Q2-T14 HydrophobicContact CB-CG2 4.43Å; Q2-T14 HydrophobicContact CG-CG2 4.24Å; Q2-L15 WeakPolarHBondContact CA-O 3.47Å; Q2-E16 VanDerWaalsContact CD-OE1 3.27Å; Q2-E16 VanDerWaalsContact CG-CD 3.44Å; Q2-E16 WeakPolarHBondContact CG-OE1 3.47Å; Q2-E16 WeakPolarHBondContact CG-OE2 3.47Å; Q2-E16 PolarHBondContact NE2-OE1 3.24Å; Q2-E64 PolarHBondContact O-N 3.21Å
3I98.6Very high95.8Very high0 Ų061.5 Ų61.50%033%0.331CS..EExtended strand (participates in β ladder)trans-126.4165.1164.965.6169.1000109.4M1 L15 V17 V26 L56 I61 L67M1-I3 HydrophobicContact CE-CG2 4.43Å; I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 2.85Å; I3-L15 PolarHBondContact O-N 2.86Å; I3-V17 HydrophobicContact CB-CG2 4.32Å; I3-V17 HydrophobicContact CD1-CG1 3.92Å; I3-V17 HydrophobicContact CD1-CG2 3.96Å; I3-V17 HydrophobicContact CG1-CG1 4.02Å; I3-V17 HydrophobicContact CG1-CG2 3.78Å; I3-V17 HydrophobicContact CG2-CG2 3.73Å; I3-V26 HydrophobicContact CD1-CG1 4.4Å; I3-L56 HydrophobicContact CD1-CD1 4.3Å; I3-L56 HydrophobicContact CD1-CD2 4.45Å; I3-I61 HydrophobicContact CG2-CG2 4.05Å; I3-L67 HydrophobicContact CD1-CD1 4.03Å; I3-L67 HydrophobicContact CD1-CD2 4.16Å
4F98.5Very high96Very high54 Ų5461.1 Ų61.124%0.23733%0.333CS..EExtended strand (participates in β ladder)trans-114.4142.6177.2-56.2-70.7000110.5T12 I13 T14 E64 S65 T66 L67F4-T12 HydrophobicContact CB-CG2 3.88Å; F4-T12 HydrophobicContact CD1-CG2 4.03Å; F4-T12 HydrophobicContact CG-CG2 4.27Å; F4-I13 CarbonylContact C-O 3.56Å; F4-I13 WeakPolarHBondContact CA-O 3.45Å; F4-T14 HydrophobicContact CD1-CG2 4.42Å; F4-T14 HydrophobicContact CE1-CG2 4.11Å; F4-E64 HydrophobicContact CE2-CB 4.03Å; F4-E64 HydrophobicContact CE2-CG 4.02Å; F4-S65 PolarHBondContact N-O 3.34Å; F4-T66 HydrophobicContact CB-CG2 4.31Å; F4-T66 CarbonylContact O-C 3.51Å; F4-T66 WeakPolarHBondContact O-CA 3.47Å; F4-L67 PolarHBondContact O-N 2.87Å
5V98.5Very high96.1Very high0 Ų057.1 Ų57.10%031%0.311CS..EExtended strand (participates in β ladder)trans-120.5115.3171.8-178.80000108.3T12 I13 L15 I30 L43 L67 L69V5-T12 CarbonylContact O-C 3.45Å; V5-T12 WeakPolarHBondContact O-CA 3.41Å; V5-I13 HydrophobicContact CB-CB 4.36Å; V5-I13 PolarHBondContact N-O 2.83Å; V5-I13 PolarHBondContact O-N 3.12Å; V5-L15 HydrophobicContact CG2-CD1 3.52Å; V5-L15 HydrophobicContact CG2-CG 4.2Å; V5-I30 HydrophobicContact CG1-CD1 4.14Å; V5-I30 HydrophobicContact CG2-CD1 4.11Å; V5-I30 HydrophobicContact CG2-CG1 4.48Å; V5-L43 HydrophobicContact CG1-CD2 4.23Å; V5-L67 CarbonylContact C-O 3.57Å; V5-L67 WeakPolarHBondContact CA-O 3.4Å; V5-L67 HydrophobicContact CG2-CB 4.35Å; V5-L69 HydrophobicContact CG1-CB 3.6Å
6K98Very high96.3Very high88 Ų8860 Ų6038%0.38332%0.321SS..EExtended strand (participates in β ladder)trans-97.6124.2178.6-166.2172-176.4177.10110.2T66 L67 H68 L69K6-T66 HydrophobicContact CB-CG2 4.01Å; K6-L67 PolarHBondContact N-O 3.21Å; K6-H68 CarbonylContact O-C 3.54Å; K6-H68 WeakPolarHBondContact O-CA 3.46Å; K6-L69 PolarHBondContact O-N 3.12Å
7T94.6Very high96.4Very high22 Ų2256.7 Ų56.714%0.13530%0.304CS..EExtended strand (participates in β ladder)trans-82164.6175.965.50000111.1T9 G10 K11 I13 L69T7-T9 PolarHBondContact O-N 2.85Å; T7-T9 PolarHBondContact OG1-OG1 2.9Å; T7-G10 PolarHBondContact O-N 3.09Å; T7-K11 HydrophobicContact CG2-CB 4.45Å; T7-K11 PolarHBondContact N-O 3.47Å; T7-K11 WeakPolarHBondContact OG1-CB 3.27Å; T7-K11 PolarHBondContact OG1-N 3.32Å; T7-K11 PolarHBondContact OG1-O 3.2Å; T7-I13 HydrophobicContact CG2-CD1 3.93Å; T7-L69 HydrophobicContact CG2-CD2 4.38Å
8L91Very high96.5Very high137 Ų13760.3 Ų60.372%0.71732%0.318SS*.THydrogen-bonded Turntrans-60.6-23.3173.7-69.1-179.8000114G10 V70L8-G10 PolarHBondContact O-N 3.13Å; L8-V70 HydrophobicContact CD1-CG1 4.24Å; L8-V70 HydrophobicContact CD1-CG2 4.5Å; L8-V70 HydrophobicContact CD2-CG2 4.09Å; L8-V70 HydrophobicContact CG-CG2 4.37Å
9T90.5Very high96.6Very high128 Ų12860.6 Ų60.679%0.78532%0.324SS*.THydrogen-bonded Turntrans-82.9-3.2176.462.10000112.8T7T7-T9 PolarHBondContact O-N 2.85Å; T7-T9 PolarHBondContact OG1-OG1 2.9Å
10G92.4Very high96.7Very high40 Ų4061.4 Ų61.441%0.41234%0.335SS..SBendtrans89.6-8.6-177.800000114.6T7 L8 T12T7-G10 PolarHBondContact O-N 3.09Å; L8-G10 PolarHBondContact O-N 3.13Å; G10-T12 PolarHBondContact O-N 2.93Å
11K95.2Very high96.8Very high104 Ų10459.3 Ų59.345%0.45232%0.324SS..  trans-60.1134172.3-178.4-178174.6-169.90109.6T7 E34T7-K11 HydrophobicContact CG2-CB 4.45Å; T7-K11 PolarHBondContact N-O 3.47Å; T7-K11 WeakPolarHBondContact OG1-CB 3.27Å; T7-K11 PolarHBondContact OG1-N 3.32Å; T7-K11 PolarHBondContact OG1-O 3.2Å; K11-E34 WeakPolarHBondContact CE-OE1 3.41Å; K11-E34 IonicContact NZ-OE1 2.68Å; K11-E34 PolarHBondContact NZ-OE1 2.75Å; K11-E34 IonicContact NZ-OE2 3.64Å; K11-E34 PolarHBondContact NZ-OE2 3.1Å
12T97Very high96.9Very high75 Ų7558.1 Ų58.146%0.4632%0.32SS..EExtended strand (participates in β ladder)trans-110.3129.7176.9-58.50000109.5F4 V5 G10F4-T12 HydrophobicContact CB-CG2 3.88Å; F4-T12 HydrophobicContact CD1-CG2 4.03Å; F4-T12 HydrophobicContact CG-CG2 4.27Å; V5-T12 CarbonylContact O-C 3.45Å; V5-T12 WeakPolarHBondContact O-CA 3.41Å; G10-T12 PolarHBondContact O-N 2.93Å
13I96.9Very high96.9Very high8 Ų854.2 Ų54.24%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-111.6128.9-179.3-55.3152.7000107.6F4 V5 T7 L15 K33 E34F4-I13 CarbonylContact C-O 3.56Å; F4-I13 WeakPolarHBondContact CA-O 3.45Å; V5-I13 HydrophobicContact CB-CB 4.36Å; V5-I13 PolarHBondContact N-O 2.83Å; V5-I13 PolarHBondContact O-N 3.12Å; T7-I13 HydrophobicContact CG2-CD1 3.93Å; I13-L15 HydrophobicContact CG2-CD2 3.97Å; I13-L15 HydrophobicContact CG2-CG 4.44Å; I13-K33 HydrophobicContact CG2-CB 4.48Å; I13-K33 HydrophobicContact CG2-CD 3.82Å; I13-E34 HydrophobicContact CD1-CG 3.45Å; I13-E34 VanDerWaalsContact CD1-CG 3.45Å; I13-E34 HydrophobicContact CG1-CG 4.16Å
14T98.1Very high96.8Very high57 Ų5759.7 Ų59.735%0.3533%0.327SS..EExtended strand (participates in β ladder)trans-91128.5174.1-51.70000109.9Q2 F4 K33Q2-T14 HydrophobicContact CB-CG2 4.43Å; Q2-T14 HydrophobicContact CG-CG2 4.24Å; F4-T14 HydrophobicContact CD1-CG2 4.42Å; F4-T14 HydrophobicContact CE1-CG2 4.11Å; T14-K33 PolarHBondContact O-NZ 3.17Å
15L98.2Very high96.8Very high1 Ų160.5 Ų60.51%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-120.1136.9177.3-59.6179.7000111Q2 I3 V5 I13 V17 V26 K29 I30 K33Q2-L15 WeakPolarHBondContact CA-O 3.47Å; I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 2.85Å; I3-L15 PolarHBondContact O-N 2.86Å; V5-L15 HydrophobicContact CG2-CD1 3.52Å; V5-L15 HydrophobicContact CG2-CG 4.2Å; I13-L15 HydrophobicContact CG2-CD2 3.97Å; I13-L15 HydrophobicContact CG2-CG 4.44Å; L15-V17 HydrophobicContact CB-CG1 3.98Å; L15-V26 HydrophobicContact CD1-CG1 3.92Å; L15-K29 HydrophobicContact CD2-CB 4.27Å; L15-I30 HydrophobicContact CD1-CD1 4.18Å; L15-I30 HydrophobicContact CD1-CG1 3.63Å; L15-I30 HydrophobicContact CD2-CG1 4.46Å; L15-K33 HydrophobicContact CD2-CD 3.79Å
16E98.3Very high96.8Very high103 Ų10360.5 Ų60.548%0.48133%0.334SS..EExtended strand (participates in β ladder)trans-89.7118.8165.8-67.2-63.5166.200109.4Q2 K29Q2-E16 VanDerWaalsContact CD-OE1 3.27Å; Q2-E16 VanDerWaalsContact CG-CD 3.44Å; Q2-E16 WeakPolarHBondContact CG-OE1 3.47Å; Q2-E16 WeakPolarHBondContact CG-OE2 3.47Å; Q2-E16 PolarHBondContact NE2-OE1 3.24Å; E16-K29 PolarHBondContact O-NZ 2.88Å
17V98.4Very high96.8Very high4 Ų456.5 Ų56.52%0.02432%0.316CS..  trans-136.7158.6-173.2-60.70000111.7M1 I3 L15 D21 V26 K29 L56M1-V17 HydrophobicContact CE-CG2 4.04Å; M1-V17 HydrophobicContact CG-CG2 3.86Å; M1-V17 WeakPolarHBondContact CG-O 3.43Å; M1-V17 PolarHBondContact N-O 3.3Å; M1-V17 WeakPolarHBondContact O-CG2 3.11Å; M1-V17 PolarHBondContact O-N 2.97Å; M1-V17 VanDerWaalsContact O-O 3.12Å; I3-V17 HydrophobicContact CB-CG2 4.32Å; I3-V17 HydrophobicContact CD1-CG1 3.92Å; I3-V17 HydrophobicContact CD1-CG2 3.96Å; I3-V17 HydrophobicContact CG1-CG1 4.02Å; I3-V17 HydrophobicContact CG1-CG2 3.78Å; I3-V17 HydrophobicContact CG2-CG2 3.73Å; L15-V17 HydrophobicContact CB-CG1 3.98Å; V17-D21 VanDerWaalsContact CA-OD2 3.26Å; V17-D21 WeakPolarHBondContact CA-OD2 3.1Å; V17-D21 WeakPolarHBondContact CB-OD2 3.26Å; V17-V26 HydrophobicContact CG1-CG2 4.28Å; V17-K29 HydrophobicContact CG1-CD 4.08Å; V17-L56 HydrophobicContact CB-CD1 3.6Å; V17-L56 HydrophobicContact CG1-CD1 4.17Å; V17-L56 HydrophobicContact CG2-CD1 3.42Å; V17-L56 VanDerWaalsContact CG2-CD1 3.42Å
18E98.3Very high96.8Very high121 Ų12157.2 Ų57.257%0.56532%0.324SS*.  trans-105.2149168.4-63.3-171.9171.200110.3S20 D21E18-S20 PolarHBondContact O-N 3.49Å; E18-S20 VanDerWaalsContact O-N 3.09Å; E18-D21 PolarHBondContact N-OD2 3.21Å; E18-D21 VanDerWaalsContact O-CB 3.29Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 2.76Å
19P98.1Very high97.1Very high66 Ų6653.9 Ų53.943%0.42930%0.304SS..THydrogen-bonded Turntrans-55.4-27.6175.5-26.235.1000114M1 L56 S57M1-P19 HydrophobicContact CE-CB 4.44Å; M1-P19 HydrophobicContact CE-CG 4.05Å; M1-P19 HydrophobicContact SD-CG 4.19Å; P19-L56 PolarHBondContact O-N 3.32Å; P19-S57 WeakPolarHBondContact O-CB 3.38Å; P19-S57 PolarHBondContact O-N 2.78Å
20S98.4Very high97.4Very high77 Ų7747.8 Ų47.854%0.53827%0.267SS..THydrogen-bonded Turntrans-80.1-9.9175.4420000114.5E18 T22 T55E18-S20 PolarHBondContact O-N 3.49Å; E18-S20 VanDerWaalsContact O-N 3.09Å; S20-T22 PolarHBondContact O-N 2.99Å; S20-T55 WeakPolarHBondContact O-CG2 3.25Å
21D98.7Very high97.5Very high18 Ų1847.3 Ų47.310%0.09625%0.254CS..  trans-60.2130.4176.2-82.1-29.4000109.7V17 E18 N25 V26 K29 T55 L56V17-D21 VanDerWaalsContact CA-OD2 3.26Å; V17-D21 WeakPolarHBondContact CA-OD2 3.1Å; V17-D21 WeakPolarHBondContact CB-OD2 3.26Å; E18-D21 PolarHBondContact N-OD2 3.21Å; E18-D21 VanDerWaalsContact O-CB 3.29Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 2.76Å; D21-N25 HydrophobicContact CB-CB 4.22Å; D21-V26 HydrophobicContact CB-CG2 4.28Å; D21-K29 VanDerWaalsContact OD2-CE 3.3Å; D21-K29 WeakPolarHBondContact OD2-CE 3.23Å; D21-K29 IonicContact OD2-NZ 2.71Å; D21-T55 CarbonylContact O-C 3.54Å; D21-T55 VanDerWaalsContact O-CA 3.24Å; D21-T55 WeakPolarHBondContact O-CA 3.47Å; D21-L56 HydrophobicContact CB-CD1 4.35Å; D21-L56 PolarHBondContact O-N 3.3Å
22T98.6Very high97.3Very high35 Ų3548.7 Ų48.722%0.21527%0.266CS..BIsolated β-bridgetrans-69.9159170.362.90000110.3S20 E24 N25 V26 R54S20-T22 PolarHBondContact O-N 2.99Å; T22-E24 PolarHBondContact O-N 2.86Å; T22-N25 WeakPolarHBondContact O-CB 3.38Å; T22-N25 PolarHBondContact O-N 2.86Å; T22-N25 VanDerWaalsContact O-N 3.07Å; T22-N25 PolarHBondContact OG1-N 3.11Å; T22-N25 VanDerWaalsContact OG1-N 3.11Å; T22-N25 PolarHBondContact OG1-OD1 3.29Å; T22-V26 WeakPolarHBondContact O-CG2 3.34Å; T22-V26 PolarHBondContact O-N 3.36Å; T22-R54 CarbonylContact C-O 3.5Å; T22-R54 WeakPolarHBondContact CA-O 3.32Å
23I98.6Very high97.1Very high0 Ų050.9 Ų50.90%027%0.269CS..Hα-helixtrans-62.2-32.6174.1-60.5-54.2000110.9V26 K27 L43 L50 E51 D52 R54 L56 Y59I23-V26 PolarHBondContact O-N 3.32Å; I23-K27 WeakPolarHBondContact O-CG 3.41Å; I23-K27 PolarHBondContact O-N 2.89Å; I23-L43 HydrophobicContact CG2-CD1 4.18Å; I23-L50 HydrophobicContact CD1-CB 4Å; I23-L50 HydrophobicContact CD1-CD1 3.66Å; I23-L50 HydrophobicContact CD1-CG 4.39Å; I23-L50 HydrophobicContact CG1-CB 3.91Å; I23-L50 HydrophobicContact CG2-CB 3.87Å; I23-E51 VanDerWaalsContact CB-O 3.28Å; I23-E51 WeakPolarHBondContact CB-O 3.5Å; I23-E51 VanDerWaalsContact CG1-O 3.23Å; I23-E51 WeakPolarHBondContact CG1-O 3.24Å; I23-D52 PolarHBondContact N-O 3.26Å; I23-R54 WeakPolarHBondContact CG1-O 3.22Å; I23-R54 PolarHBondContact N-O 3.32Å; I23-L56 HydrophobicContact CD1-CD2 3.96Å; I23-Y59 HydrophobicContact CD1-CD2 4.25Å; I23-Y59 HydrophobicContact CD1-CE2 4.33Å; I23-Y59 HydrophobicContact CG1-CD2 4.44Å; I23-Y59 HydrophobicContact CG1-CE2 4.05Å
24E97.5Very high96.9Very high116 Ų11653.5 Ų53.554%0.54228%0.281SS..Hα-helixtrans-58.1-48.3169.3-171.4172.7-156.500112.2T22 V26 K27 A28 D52T22-E24 PolarHBondContact O-N 2.86Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 2.87Å; E24-K27 WeakPolarHBondContact O-CB 3.31Å; E24-K27 PolarHBondContact O-N 2.86Å; E24-K27 VanDerWaalsContact O-N 3.11Å; E24-A28 PolarHBondContact O-N 3.25Å; E24-D52 HydrophobicContact CB-CB 4.23Å; E24-D52 PolarHBondContact N-O 3.35Å; E24-D52 VanDerWaalsContact N-O 3.15Å
25N98Very high96.5Very high70 Ų7053.1 Ų53.137%0.37429%0.289SS..Hα-helixtrans-59.3-40.7175.9-66.7-7.2000111.7D21 T22 K27 A28 K29D21-N25 HydrophobicContact CB-CB 4.22Å; T22-N25 WeakPolarHBondContact O-CB 3.38Å; T22-N25 PolarHBondContact O-N 2.86Å; T22-N25 VanDerWaalsContact O-N 3.07Å; T22-N25 PolarHBondContact OG1-N 3.11Å; T22-N25 VanDerWaalsContact OG1-N 3.11Å; T22-N25 PolarHBondContact OG1-OD1 3.29Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.77Å; N25-A28 PolarHBondContact O-N 2.66Å; N25-K29 WeakPolarHBondContact O-CG 3.4Å; N25-K29 PolarHBondContact O-N 2.81Å
26V98.4Very high96.1Very high0 Ų054.5 Ų54.50%030%0.296CS..Hα-helixtrans-63.9-40.2177.5177.50000110.8I3 L15 V17 D21 T22 I23 E24 K29 I30 L43 L56I3-V26 HydrophobicContact CD1-CG1 4.4Å; L15-V26 HydrophobicContact CD1-CG1 3.92Å; V17-V26 HydrophobicContact CG1-CG2 4.28Å; D21-V26 HydrophobicContact CB-CG2 4.28Å; T22-V26 WeakPolarHBondContact O-CG2 3.34Å; T22-V26 PolarHBondContact O-N 3.36Å; I23-V26 PolarHBondContact O-N 3.32Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 2.87Å; V26-K29 PolarHBondContact O-N 2.83Å; V26-I30 HydrophobicContact CG1-CD1 4.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.42Å; V26-I30 PolarHBondContact O-N 3.19Å; V26-L43 HydrophobicContact CB-CD1 4.33Å; V26-L43 HydrophobicContact CG1-CD1 3.79Å; V26-L56 HydrophobicContact CG2-CD1 4.04Å; V26-L56 HydrophobicContact CG2-CD2 3.96Å; V26-L56 HydrophobicContact CG2-CG 4.04Å
27K97.2Very high95.7Very high4 Ų449.9 Ų49.92%0.01728%0.275CS..Hα-helixtrans-65.1-40.8175.5-72.2170.8163.9-164.80112.6I23 E24 N25 K29 I30 Q31 P38 Q41 L43 D52I23-K27 WeakPolarHBondContact O-CG 3.41Å; I23-K27 PolarHBondContact O-N 2.89Å; E24-K27 WeakPolarHBondContact O-CB 3.31Å; E24-K27 PolarHBondContact O-N 2.86Å; E24-K27 VanDerWaalsContact O-N 3.11Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.77Å; K27-K29 VanDerWaalsContact C-N 3.32Å; K27-K29 PolarHBondContact O-N 2.83Å; K27-I30 WeakPolarHBondContact O-CB 3.31Å; K27-I30 PolarHBondContact O-N 2.94Å; K27-I30 VanDerWaalsContact O-N 3.11Å; K27-Q31 PolarHBondContact O-N 2.81Å; K27-P38 HydrophobicContact CB-CB 3.81Å; K27-P38 HydrophobicContact CB-CG 4.24Å; K27-P38 HydrophobicContact CD-CB 4.2Å; K27-P38 WeakPolarHBondContact CD-O 3.19Å; K27-P38 PolarHBondContact NZ-O 3.2Å; K27-P38 VanDerWaalsContact NZ-O 3.1Å; K27-Q41 VanDerWaalsContact CA-OE1 3.29Å; K27-Q41 HydrophobicContact CD-CB 4.31Å; K27-Q41 WeakPolarHBondContact CE-O 3.4Å; K27-Q41 HydrophobicContact CG-CB 4.03Å; K27-Q41 PolarHBondContact NZ-O 3.27Å; K27-Q41 VanDerWaalsContact NZ-O 3.09Å; K27-Q41 PolarHBondContact O-NE2 3.1Å; K27-Q41 PolarHBondContact O-OE1 3.45Å; K27-L43 HydrophobicContact CG-CD1 3.91Å; K27-L43 HydrophobicContact CG-CG 4.36Å; K27-D52 WeakPolarHBondContact CD-OD1 3.41Å; K27-D52 WeakPolarHBondContact CE-OD1 3.48Å; K27-D52 IonicContact NZ-OD1 3.06Å; K27-D52 PolarHBondContact NZ-OD1 2.98Å; K27-D52 IonicContact NZ-OD2 3.32Å; K27-D52 PolarHBondContact NZ-OD2 2.93Å
28A95.8Very high95.4Very high37 Ų3750.4 Ų50.431%0.30628%0.278SS..Hα-helixtrans-59-44.9173.200000111E24 N25 I30 Q31 D32E24-A28 PolarHBondContact O-N 3.25Å; N25-A28 PolarHBondContact O-N 2.66Å; A28-I30 PolarHBondContact O-N 3.44Å; A28-Q31 WeakPolarHBondContact O-CA 3.47Å; A28-Q31 VanDerWaalsContact O-CB 3.3Å; A28-Q31 WeakPolarHBondContact O-CB 3.38Å; A28-Q31 PolarHBondContact O-N 2.83Å; A28-D32 PolarHBondContact O-N 2.91Å
29K97.7Very high95Very high68 Ų6846.7 Ų46.730%0.29626%0.262SS..Hα-helixtrans-61-31.5174.8-67.4167.2-173.9-880113.3L15 E16 V17 D21 N25 V26 K27 K33L15-K29 HydrophobicContact CD2-CB 4.27Å; E16-K29 PolarHBondContact O-NZ 2.88Å; V17-K29 HydrophobicContact CG1-CD 4.08Å; D21-K29 VanDerWaalsContact OD2-CE 3.3Å; D21-K29 WeakPolarHBondContact OD2-CE 3.23Å; D21-K29 IonicContact OD2-NZ 2.71Å; N25-K29 WeakPolarHBondContact O-CG 3.4Å; N25-K29 PolarHBondContact O-N 2.81Å; V26-K29 PolarHBondContact O-N 2.83Å; K27-K29 VanDerWaalsContact C-N 3.32Å; K27-K29 PolarHBondContact O-N 2.83Å; K29-K33 PolarHBondContact O-N 3.36Å
30I96.5Very high94.7Very high0 Ų045.1 Ų45.10%025%0.249CC..Hα-helixtrans-73.2-40.1173.9-66.4163.3000110.6V5 L15 V26 K27 A28 D32 K33 E34 Q41 L43 L69V5-I30 HydrophobicContact CG1-CD1 4.14Å; V5-I30 HydrophobicContact CG2-CD1 4.11Å; V5-I30 HydrophobicContact CG2-CG1 4.48Å; L15-I30 HydrophobicContact CD1-CD1 4.18Å; L15-I30 HydrophobicContact CD1-CG1 3.63Å; L15-I30 HydrophobicContact CD2-CG1 4.46Å; V26-I30 HydrophobicContact CG1-CD1 4.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.42Å; V26-I30 PolarHBondContact O-N 3.19Å; K27-I30 WeakPolarHBondContact O-CB 3.31Å; K27-I30 PolarHBondContact O-N 2.94Å; K27-I30 VanDerWaalsContact O-N 3.11Å; A28-I30 PolarHBondContact O-N 3.44Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.2Å; I30-K33 PolarHBondContact O-N 3.02Å; I30-K33 VanDerWaalsContact O-N 3.16Å; I30-E34 HydrophobicContact CG2-CB 4.45Å; I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CB 3.43Å; I30-E34 PolarHBondContact O-N 3.4Å; I30-Q41 VanDerWaalsContact CB-OE1 3.27Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.29Å; I30-L43 HydrophobicContact CD1-CD1 3.98Å; I30-L43 HydrophobicContact CD1-CD2 3.67Å; I30-L43 HydrophobicContact CD1-CG 4.37Å; I30-L69 HydrophobicContact CG2-CD2 4Å
31Q93.5Very high94.5Very high29 Ų2941.4 Ų41.414%0.13622%0.223CC..Hα-helixtrans-58.6-45.7174.8179.3-178.820.200110.8K27 A28 K33 E34 G35 I36 P38 E94K27-Q31 PolarHBondContact O-N 2.81Å; A28-Q31 WeakPolarHBondContact O-CA 3.47Å; A28-Q31 VanDerWaalsContact O-CB 3.3Å; A28-Q31 WeakPolarHBondContact O-CB 3.38Å; A28-Q31 PolarHBondContact O-N 2.83Å; Q31-K33 PolarHBondContact O-N 3.32Å; Q31-E34 PolarHBondContact O-N 3Å; Q31-G35 WeakPolarHBondContact O-CA 3.33Å; Q31-G35 PolarHBondContact O-N 2.87Å; Q31-I36 WeakPolarHBondContact CA-O 3.41Å; Q31-I36 VanDerWaalsContact CB-O 3.26Å; Q31-I36 WeakPolarHBondContact CB-O 3.36Å; Q31-P38 VanDerWaalsContact CD-CD 3.45Å; Q31-E94 PolarHBondContact NE2-OE2 3.11Å; Q31-E94 PolarHBondContact OE1-OE2 3.33Å
32D91.2Very high94.4Very high134 Ų13445.1 Ų45.172%0.71724%0.236SC*.Hα-helixtrans-59.4-31.8177.9-65.1-24.6000112.6A28 I30A28-D32 PolarHBondContact O-N 2.91Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.2Å
33K93.8Very high94.3Very high121 Ų12143.5 Ų43.553%0.52623%0.226SC..Hα-helixtrans-90.9-34.8-178.4-71.9-163.2177.3-146.40114.6I13 T14 L15 K29 I30 Q31I13-K33 HydrophobicContact CG2-CB 4.48Å; I13-K33 HydrophobicContact CG2-CD 3.82Å; T14-K33 PolarHBondContact O-NZ 3.17Å; L15-K33 HydrophobicContact CD2-CD 3.79Å; K29-K33 PolarHBondContact O-N 3.36Å; I30-K33 PolarHBondContact O-N 3.02Å; I30-K33 VanDerWaalsContact O-N 3.16Å; Q31-K33 PolarHBondContact O-N 3.32Å
34E92.1Very high94.3Very high62 Ų6245.6 Ų45.629%0.2924%0.237SC..Hα-helixtrans-120.7-5.8-168.7-59.5-66.8132.700113.3K11 I13 I30 Q31 I36K11-E34 WeakPolarHBondContact CE-OE1 3.41Å; K11-E34 IonicContact NZ-OE1 2.68Å; K11-E34 PolarHBondContact NZ-OE1 2.75Å; K11-E34 IonicContact NZ-OE2 3.64Å; K11-E34 PolarHBondContact NZ-OE2 3.1Å; I13-E34 HydrophobicContact CD1-CG 3.45Å; I13-E34 VanDerWaalsContact CD1-CG 3.45Å; I13-E34 HydrophobicContact CG1-CG 4.16Å; I30-E34 HydrophobicContact CG2-CB 4.45Å; I30-E34 HydrophobicContact CG2-CG 4.37Å; I30-E34 WeakPolarHBondContact O-CB 3.43Å; I30-E34 PolarHBondContact O-N 3.4Å; Q31-E34 PolarHBondContact O-N 3Å; E34-I36 HydrophobicContact CB-CD1 3.99Å; E34-I36 HydrophobicContact CB-CG1 3.92Å; E34-I36 PolarHBondContact O-N 3.46Å
35G89.1Confident94.4Very high49 Ų4942.1 Ų42.151%0.50522%0.22SC..  trans72.111-179.500000114.7Q31 P37Q31-G35 WeakPolarHBondContact O-CA 3.33Å; Q31-G35 PolarHBondContact O-N 2.87Å; G35-P37 WeakPolarHBondContact O-CD 3.5Å
36I89.4Confident94.3Very high31 Ų3143 Ų4316%0.15924%0.236CC..  trans-91.5120.5-173.6-53.3-179.1000109.8Q31 E34 Q40 Q41 L69 L71Q31-I36 WeakPolarHBondContact CA-O 3.41Å; Q31-I36 VanDerWaalsContact CB-O 3.26Å; Q31-I36 WeakPolarHBondContact CB-O 3.36Å; E34-I36 HydrophobicContact CB-CD1 3.99Å; E34-I36 HydrophobicContact CB-CG1 3.92Å; E34-I36 PolarHBondContact O-N 3.46Å; I36-Q40 HydrophobicContact CG2-CB 4.3Å; I36-Q41 HydrophobicContact CB-CG 4.35Å; I36-Q41 HydrophobicContact CG2-CG 3.75Å; I36-Q41 PolarHBondContact O-NE2 3.06Å; I36-L69 HydrophobicContact CD1-CD2 4.31Å; I36-L71 HydrophobicContact CD1-CD1 4.47Å; I36-L71 HydrophobicContact CD1-CD2 3.79Å; I36-L71 HydrophobicContact CG2-CD2 3.71Å
37P90.5Very high94.1Very high5 Ų546.6 Ų46.63%0.03227%0.274CS..  trans-58135.3177.4-29.238.6000114.1G35 D39 Q40 Q41 E94G35-P37 WeakPolarHBondContact O-CD 3.5Å; P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.2Å; P37-D39 PolarHBondContact O-N 3.44Å; P37-Q40 HydrophobicContact CB-CG 4.23Å; P37-Q40 WeakPolarHBondContact O-CA 3.45Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 3.44Å; P37-Q41 WeakPolarHBondContact O-CG 3.28Å; P37-Q41 PolarHBondContact O-N 3.22Å; P37-E94 HydrophobicContact CB-CG 4.47Å
38P92.7Very high94.1Very high15 Ų1553.3 Ų53.310%0.09730%0.303CS..THydrogen-bonded Turntrans-48.4-37.3177.3-32.734.7000116.3K27 Q31 Q40 Q41 E94K27-P38 HydrophobicContact CB-CB 3.81Å; K27-P38 HydrophobicContact CB-CG 4.24Å; K27-P38 HydrophobicContact CD-CB 4.2Å; K27-P38 WeakPolarHBondContact CD-O 3.19Å; K27-P38 PolarHBondContact NZ-O 3.2Å; K27-P38 VanDerWaalsContact NZ-O 3.1Å; Q31-P38 VanDerWaalsContact CD-CD 3.45Å; P38-Q40 VanDerWaalsContact C-N 3.29Å; P38-Q40 PolarHBondContact O-N 3.2Å; P38-Q41 WeakPolarHBondContact O-CB 3.23Å; P38-Q41 PolarHBondContact O-N 2.99Å; P38-Q41 VanDerWaalsContact O-N 3.11Å; P38-E94 WeakPolarHBondContact CD-OE1 3.44Å; P38-E94 VanDerWaalsContact CD-OE2 3.22Å; P38-E94 WeakPolarHBondContact CD-OE2 3.2Å
39D89.3Confident94.2Very high43 Ų4355.7 Ų55.723%0.2331%0.308CS..THydrogen-bonded Turntrans-68-28.2177.665.2-20.9000113P37 R72 G76P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.2Å; P37-D39 PolarHBondContact O-N 3.44Å; D39-R72 WeakPolarHBondContact O-CD 3.22Å; D39-G76 WeakPolarHBondContact OD2-CA 3.31Å
40Q91.4Very high94.2Very high33 Ų3352.7 Ų52.715%0.15430%0.295CS..THydrogen-bonded Turntrans-81.7-15.7171.8-61.2-172.9-5.300112.9I36 P37 P38 L71 R72 E92I36-Q40 HydrophobicContact CG2-CB 4.3Å; P37-Q40 HydrophobicContact CB-CG 4.23Å; P37-Q40 WeakPolarHBondContact O-CA 3.45Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 3.44Å; P38-Q40 VanDerWaalsContact C-N 3.29Å; P38-Q40 PolarHBondContact O-N 3.2Å; Q40-L71 CarbonylContact O-C 3.59Å; Q40-L71 WeakPolarHBondContact O-CA 3.33Å; Q40-R72 PolarHBondContact O-N 3.32Å; Q40-E92 PolarHBondContact NE2-OE2 3.31Å
41Q94.9Very high94.2Very high0 Ų057.4 Ų57.40%032%0.317CS..EExtended strand (participates in β ladder)trans-85.4127-179.7-62.5178.641.700111.4K27 I30 I36 P37 P38 L69K27-Q41 VanDerWaalsContact CA-OE1 3.29Å; K27-Q41 HydrophobicContact CD-CB 4.31Å; K27-Q41 WeakPolarHBondContact CE-O 3.4Å; K27-Q41 HydrophobicContact CG-CB 4.03Å; K27-Q41 PolarHBondContact NZ-O 3.27Å; K27-Q41 VanDerWaalsContact NZ-O 3.09Å; K27-Q41 PolarHBondContact O-NE2 3.1Å; K27-Q41 PolarHBondContact O-OE1 3.45Å; I30-Q41 VanDerWaalsContact CB-OE1 3.27Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.29Å; I36-Q41 HydrophobicContact CB-CG 4.35Å; I36-Q41 HydrophobicContact CG2-CG 3.75Å; I36-Q41 PolarHBondContact O-NE2 3.06Å; P37-Q41 WeakPolarHBondContact O-CG 3.28Å; P37-Q41 PolarHBondContact O-N 3.22Å; P38-Q41 WeakPolarHBondContact O-CB 3.23Å; P38-Q41 PolarHBondContact O-N 2.99Å; P38-Q41 VanDerWaalsContact O-N 3.11Å; Q41-L69 HydrophobicContact CB-CD1 3.73Å; Q41-L69 HydrophobicContact CG-CD1 3.92Å
42R95.7Very high94.4Very high95 Ų9559.1 Ų59.136%0.35833%0.328SS..EExtended strand (participates in β ladder)trans-114.7108.7165.1-178.5-177.2-84162.20.9108.9I44 Q49 V70 R72R42-I44 HydrophobicContact CG-CG1 4.22Å; R42-Q49 HydrophobicContact CG-CG 3.88Å; R42-V70 WeakPolarHBondContact CA-O 3.08Å; R42-V70 HydrophobicContact CB-CB 4.3Å; R42-V70 VanDerWaalsContact CB-O 3.32Å; R42-V70 WeakPolarHBondContact CB-O 3.44Å; R42-V70 PolarHBondContact N-O 3.4Å; R42-V70 PolarHBondContact O-N 2.93Å; R42-R72 HydrophobicContact CB-CG 4.23Å
43L97.9Very high94.7Very high1 Ų156.2 Ų56.21%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-88.3136.1173.4-61.6179.9000110.5V5 I23 V26 K27 I30 L50 L67 H68 L69V5-L43 HydrophobicContact CG1-CD2 4.23Å; I23-L43 HydrophobicContact CG2-CD1 4.18Å; V26-L43 HydrophobicContact CB-CD1 4.33Å; V26-L43 HydrophobicContact CG1-CD1 3.79Å; K27-L43 HydrophobicContact CG-CD1 3.91Å; K27-L43 HydrophobicContact CG-CG 4.36Å; I30-L43 HydrophobicContact CD1-CD1 3.98Å; I30-L43 HydrophobicContact CD1-CD2 3.67Å; I30-L43 HydrophobicContact CD1-CG 4.37Å; L43-L50 HydrophobicContact CB-CB 4.31Å; L43-L50 HydrophobicContact CB-CD1 4.04Å; L43-L50 HydrophobicContact CB-CG 4.34Å; L43-L50 PolarHBondContact O-N 2.83Å; L43-L67 HydrophobicContact CD1-CD2 4.38Å; L43-H68 CarbonylContact C-O 3.59Å; L43-H68 WeakPolarHBondContact CA-O 3.44Å; L43-L69 HydrophobicContact CD2-CB 4.11Å; L43-L69 HydrophobicContact CD2-CD1 3.79Å
44I98.3Very high94.9Very high44 Ų4455.6 Ų55.623%0.22632%0.323CS..EExtended strand (participates in β ladder)trans-129.7133.9-178.1-58171.8000108.5R42 K48 H68 V70R42-I44 HydrophobicContact CG-CG1 4.22Å; I44-K48 CarbonylContact C-O 3.58Å; I44-K48 VanDerWaalsContact CA-O 3.27Å; I44-K48 WeakPolarHBondContact CA-O 3.36Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 2.89Å; I44-H68 PolarHBondContact O-N 3.42Å; I44-V70 HydrophobicContact CD1-CB 4.41Å; I44-V70 HydrophobicContact CD1-CG2 3.68Å
45F98.4Very high95.2Very high44 Ų4454.1 Ų54.119%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-141.9137.4173.6-177.8-111000109.8G47 K48 L50 I61 L67F45-G47 PolarHBondContact O-N 3.13Å; F45-G47 VanDerWaalsContact O-N 3.12Å; F45-K48 PolarHBondContact N-O 2.74Å; F45-K48 PolarHBondContact O-N 3.31Å; F45-L50 HydrophobicContact CB-CD1 4.13Å; F45-L50 HydrophobicContact CB-CD2 3.99Å; F45-L50 HydrophobicContact CB-CG 4.35Å; F45-I61 HydrophobicContact CB-CD1 4.43Å; F45-I61 HydrophobicContact CD1-CD1 4.15Å; F45-I61 HydrophobicContact CD1-CG1 3.63Å; F45-I61 HydrophobicContact CD2-CG1 4.48Å; F45-I61 HydrophobicContact CE1-CG1 3.69Å; F45-I61 HydrophobicContact CG-CD1 4.24Å; F45-I61 HydrophobicContact CG-CG1 4.05Å; F45-I61 HydrophobicContact CZ-CG1 4.16Å; F45-L67 HydrophobicContact CB-CG 4.44Å; F45-L67 HydrophobicContact CD2-CD1 4.29Å; F45-L67 HydrophobicContact CD2-CG 4.48Å
46A95.9Very high95.7Very high87 Ų8751.8 Ų51.872%0.71930%0.295SS*.THydrogen-bonded Turntrans47.941.1-177.800000113.8K48A46-K48 PolarHBondContact O-N 3.18Å
47G95Very high96.1Very high77 Ų7753.2 Ų53.279%0.79431%0.308SS*.THydrogen-bonded Turntrans73.40-178.600000115.4F45F45-G47 PolarHBondContact O-N 3.13Å; F45-G47 VanDerWaalsContact O-N 3.12Å
48K96.8Very high96.5Very high144 Ų14457.5 Ų57.563%0.62633%0.33SS*.EExtended strand (participates in β ladder)trans-104.2137.1179-65.5-176.5179.2179.80111I44 F45 A46I44-K48 CarbonylContact C-O 3.58Å; I44-K48 VanDerWaalsContact CA-O 3.27Å; I44-K48 WeakPolarHBondContact CA-O 3.36Å; F45-K48 PolarHBondContact N-O 2.74Å; F45-K48 PolarHBondContact O-N 3.31Å; A46-K48 PolarHBondContact O-N 3.18Å
49Q97.3Very high96.8Very high87 Ų8758.4 Ų58.441%0.40733%0.332SS..EExtended strand (participates in β ladder)trans-70.4135.1165.9-178.2-177.8-51.700109R42R42-Q49 HydrophobicContact CG-CG 3.88Å
50L98.2Very high97.1Very high5 Ų562.1 Ų62.13%0.02635%0.352CS..PPolyproline II helixtrans-85.6144.2177.8-53.2-173000111I23 L43 F45 Y59 I61 L67I23-L50 HydrophobicContact CD1-CB 4Å; I23-L50 HydrophobicContact CD1-CD1 3.66Å; I23-L50 HydrophobicContact CD1-CG 4.39Å; I23-L50 HydrophobicContact CG1-CB 3.91Å; I23-L50 HydrophobicContact CG2-CB 3.87Å; L43-L50 HydrophobicContact CB-CB 4.31Å; L43-L50 HydrophobicContact CB-CD1 4.04Å; L43-L50 HydrophobicContact CB-CG 4.34Å; L43-L50 PolarHBondContact O-N 2.83Å; F45-L50 HydrophobicContact CB-CD1 4.13Å; F45-L50 HydrophobicContact CB-CD2 3.99Å; F45-L50 HydrophobicContact CB-CG 4.35Å; L50-Y59 HydrophobicContact CB-CE2 4.13Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CD2 3.73Å; L50-Y59 HydrophobicContact CD2-CE1 3.66Å; L50-Y59 HydrophobicContact CD2-CE2 3.73Å; L50-Y59 HydrophobicContact CD2-CG 3.65Å; L50-Y59 HydrophobicContact CG-CE2 4.47Å; L50-I61 HydrophobicContact CD1-CD1 3.94Å; L50-L67 HydrophobicContact CD1-CD2 3.87Å; L50-L67 HydrophobicContact CD1-CG 4.34Å
51E98Very high97.5Very high100 Ų10060.6 Ų60.647%0.46735%0.345SS..PPolyproline II helixtrans-102.5135.3-178.6-68171-173.400110.5I23 G53 R54 Y59I23-E51 VanDerWaalsContact CB-O 3.28Å; I23-E51 WeakPolarHBondContact CB-O 3.5Å; I23-E51 VanDerWaalsContact CG1-O 3.23Å; I23-E51 WeakPolarHBondContact CG1-O 3.24Å; E51-G53 VanDerWaalsContact C-N 3.32Å; E51-G53 PolarHBondContact O-N 3.44Å; E51-R54 HydrophobicContact CB-CG 4.22Å; E51-R54 PolarHBondContact O-N 3.43Å; E51-R54 VanDerWaalsContact O-N 3.09Å; E51-R54 IonicContact OE1-NH2 2.79Å; E51-R54 IonicContact OE2-CZ 3.79Å; E51-R54 IonicContact OE2-NE 3.6Å; E51-R54 PolarHBondContact OE2-NE 3.11Å; E51-R54 IonicContact OE2-NH2 3.76Å; E51-R54 PolarHBondContact OE2-NH2 3.34Å; E51-Y59 PolarHBondContact N-OH 2.93Å
52D96.8Very high97.6Very high65 Ų6565.9 Ų65.935%0.34837%0.37SS..THydrogen-bonded Turntrans-57-40.8-169.9-67.2-20.8000113.5I23 E24 K27 R54I23-D52 PolarHBondContact N-O 3.26Å; E24-D52 HydrophobicContact CB-CB 4.23Å; E24-D52 PolarHBondContact N-O 3.35Å; E24-D52 VanDerWaalsContact N-O 3.15Å; K27-D52 WeakPolarHBondContact CD-OD1 3.41Å; K27-D52 WeakPolarHBondContact CE-OD1 3.48Å; K27-D52 IonicContact NZ-OD1 3.06Å; K27-D52 PolarHBondContact NZ-OD1 2.98Å; K27-D52 IonicContact NZ-OD2 3.32Å; K27-D52 PolarHBondContact NZ-OD2 2.93Å; D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 PolarHBondContact O-N 3.05Å
53G97.6Very high97.7Very high73 Ų7367.5 Ų67.575%0.75338%0.379SS*.THydrogen-bonded Turntrans-80.2-0.3-178.600000116E51E51-G53 VanDerWaalsContact C-N 3.32Å; E51-G53 PolarHBondContact O-N 3.44Å
54R98.4Very high97.7Very high107 Ų10773.2 Ų73.240%0.40441%0.406SS..SBendtrans-96.2158175.5-65.8-160.4-161.2-158-1.4111.1T22 I23 E51 D52 D58 Y59T22-R54 CarbonylContact C-O 3.5Å; T22-R54 WeakPolarHBondContact CA-O 3.32Å; I23-R54 WeakPolarHBondContact CG1-O 3.22Å; I23-R54 PolarHBondContact N-O 3.32Å; E51-R54 HydrophobicContact CB-CG 4.22Å; E51-R54 PolarHBondContact O-N 3.43Å; E51-R54 VanDerWaalsContact O-N 3.09Å; E51-R54 IonicContact OE1-NH2 2.79Å; E51-R54 IonicContact OE2-CZ 3.79Å; E51-R54 IonicContact OE2-NE 3.6Å; E51-R54 PolarHBondContact OE2-NE 3.11Å; E51-R54 IonicContact OE2-NH2 3.76Å; E51-R54 PolarHBondContact OE2-NH2 3.34Å; D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 PolarHBondContact O-N 3.05Å; R54-D58 HydrophobicContact CB-CB 4.25Å; R54-Y59 HydrophobicContact CB-CD2 4.36Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.35Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å
55T98.6Very high97.7Very high32 Ų3272.1 Ų72.120%0.19640%0.402CS..BIsolated β-bridgetrans-91.1164.5177.366.90000112.4S20 D21 S57 D58 Y59S20-T55 WeakPolarHBondContact O-CG2 3.25Å; D21-T55 CarbonylContact O-C 3.54Å; D21-T55 VanDerWaalsContact O-CA 3.24Å; D21-T55 WeakPolarHBondContact O-CA 3.47Å; T55-S57 PolarHBondContact O-N 2.94Å; T55-D58 PolarHBondContact N-OD2 2.97Å; T55-D58 PolarHBondContact O-N 3.36Å; T55-D58 PolarHBondContact OG1-N 2.89Å; T55-D58 VanDerWaalsContact OG1-N 3.16Å; T55-D58 PolarHBondContact OG1-OD2 3.25Å; T55-Y59 WeakPolarHBondContact O-CD2 3.29Å
56L98.7Very high97.7Very high0 Ų072.8 Ų72.80%041%0.41CS..THydrogen-bonded Turntrans-58-38.8169.6-70.7-178.3000112M1 I3 V17 P19 D21 I23 V26 D58 Y59 N60 I61M1-L56 HydrophobicContact CE-CD1 4.13Å; I3-L56 HydrophobicContact CD1-CD1 4.3Å; I3-L56 HydrophobicContact CD1-CD2 4.45Å; V17-L56 HydrophobicContact CB-CD1 3.6Å; V17-L56 HydrophobicContact CG1-CD1 4.17Å; V17-L56 HydrophobicContact CG2-CD1 3.42Å; V17-L56 VanDerWaalsContact CG2-CD1 3.42Å; P19-L56 PolarHBondContact O-N 3.32Å; D21-L56 HydrophobicContact CB-CD1 4.35Å; D21-L56 PolarHBondContact O-N 3.3Å; I23-L56 HydrophobicContact CD1-CD2 3.96Å; V26-L56 HydrophobicContact CG2-CD1 4.04Å; V26-L56 HydrophobicContact CG2-CD2 3.96Å; V26-L56 HydrophobicContact CG2-CG 4.04Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.11Å; L56-Y59 PolarHBondContact O-N 2.93Å; L56-N60 PolarHBondContact O-N 3.41Å; L56-I61 HydrophobicContact CB-CB 4.22Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.55Å; L56-I61 HydrophobicContact CD2-CG1 4.46Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 WeakPolarHBondContact O-CB 3.46Å; L56-I61 PolarHBondContact O-N 2.9Å
57S98.1Very high97.8Very high61 Ų6168.7 Ų68.743%0.42738%0.376SS..G310 helixtrans-63.6-36177.3-168.80000112.6P19 T55 Y59 N60P19-S57 WeakPolarHBondContact O-CB 3.38Å; P19-S57 PolarHBondContact O-N 2.78Å; T55-S57 PolarHBondContact O-N 2.94Å; S57-Y59 PolarHBondContact O-N 2.92Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; S57-N60 PolarHBondContact O-N 3.02Å
58D98.4Very high98Very high95 Ų9569.5 Ų69.551%0.50836%0.359SS..G310 helixtrans-61.6-24.9177.9-64.9-39.6000112.8R54 T55 L56R54-D58 HydrophobicContact CB-CB 4.25Å; T55-D58 PolarHBondContact N-OD2 2.97Å; T55-D58 PolarHBondContact O-N 3.36Å; T55-D58 PolarHBondContact OG1-N 2.89Å; T55-D58 VanDerWaalsContact OG1-N 3.16Å; T55-D58 PolarHBondContact OG1-OD2 3.25Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.11Å
59Y98.3Very high98Very high33 Ų3362.8 Ų62.813%0.12933%0.33CS..G310 helixtrans-99.36.7175.8-68.2-72000113.5I23 L50 E51 R54 T55 L56 S57 I61I23-Y59 HydrophobicContact CD1-CD2 4.25Å; I23-Y59 HydrophobicContact CD1-CE2 4.33Å; I23-Y59 HydrophobicContact CG1-CD2 4.44Å; I23-Y59 HydrophobicContact CG1-CE2 4.05Å; L50-Y59 HydrophobicContact CB-CE2 4.13Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CD2 3.73Å; L50-Y59 HydrophobicContact CD2-CE1 3.66Å; L50-Y59 HydrophobicContact CD2-CE2 3.73Å; L50-Y59 HydrophobicContact CD2-CG 3.65Å; L50-Y59 HydrophobicContact CG-CE2 4.47Å; E51-Y59 PolarHBondContact N-OH 2.93Å; R54-Y59 HydrophobicContact CB-CD2 4.36Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.35Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å; T55-Y59 WeakPolarHBondContact O-CD2 3.29Å; L56-Y59 PolarHBondContact O-N 2.93Å; S57-Y59 PolarHBondContact O-N 2.92Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; Y59-I61 PolarHBondContact O-N 2.89Å
60N97.5Very high97.9Very high121 Ų12160.2 Ų60.265%0.64732%0.32SS*.THydrogen-bonded Turntrans52.834.5-173.2-61.4-61000113L56 S57 Q62L56-N60 PolarHBondContact O-N 3.41Å; S57-N60 PolarHBondContact O-N 3.02Å; N60-Q62 PolarHBondContact O-N 3.29Å
61I98.3Very high97.6Very high1 Ų164.1 Ų64.11%0.00534%0.34CS..  trans-73.8121.8175.7-65.7166.8000107.8I3 F45 L50 L56 Y59 L67I3-I61 HydrophobicContact CG2-CG2 4.05Å; F45-I61 HydrophobicContact CB-CD1 4.43Å; F45-I61 HydrophobicContact CD1-CD1 4.15Å; F45-I61 HydrophobicContact CD1-CG1 3.63Å; F45-I61 HydrophobicContact CD2-CG1 4.48Å; F45-I61 HydrophobicContact CE1-CG1 3.69Å; F45-I61 HydrophobicContact CG-CD1 4.24Å; F45-I61 HydrophobicContact CG-CG1 4.05Å; F45-I61 HydrophobicContact CZ-CG1 4.16Å; L50-I61 HydrophobicContact CD1-CD1 3.94Å; L56-I61 HydrophobicContact CB-CB 4.22Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.55Å; L56-I61 HydrophobicContact CD2-CG1 4.46Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 WeakPolarHBondContact O-CB 3.46Å; L56-I61 PolarHBondContact O-N 2.9Å; Y59-I61 PolarHBondContact O-N 2.89Å; I61-L67 HydrophobicContact CD1-CD1 4.24Å; I61-L67 HydrophobicContact CD1-CD2 4.32Å; I61-L67 HydrophobicContact CD1-CG 4.39Å; I61-L67 HydrophobicContact CG2-CD1 3.97Å
62Q97.3Very high97Very high112 Ų11263 Ų6352%0.52333%0.332SS..  trans-108172.2-177.1-61.1-57.5-3900111.2N60 E64 S65N60-Q62 PolarHBondContact O-N 3.29Å; Q62-E64 PolarHBondContact O-N 2.75Å; Q62-S65 PolarHBondContact N-OG 3.16Å; Q62-S65 WeakPolarHBondContact O-CB 3.13Å; Q62-S65 PolarHBondContact O-N 3.47Å; Q62-S65 PolarHBondContact O-OG 3.41Å
63K97.8Very high95.8Very high129 Ų12967.3 Ų67.356%0.56135%0.354SS*.THydrogen-bonded Turntrans-47.1138.7167.2-177.4-178.2174.8-162.70110.4M1 S65M1-K63 HydrophobicContact CB-CB 4.34Å; M1-K63 HydrophobicContact SD-CB 4.46Å; K63-S65 PolarHBondContact O-N 2.81Å; K63-S65 VanDerWaalsContact O-N 3.14Å
64E97.9Very high94.3Very high121 Ų12174.9 Ų74.957%0.56536%0.36SS*.THydrogen-bonded Turntrans64.87.4-179.7-68.5161.2-150.700115.2Q2 F4 Q62Q2-E64 PolarHBondContact O-N 3.21Å; F4-E64 HydrophobicContact CE2-CB 4.03Å; F4-E64 HydrophobicContact CE2-CG 4.02Å; Q62-E64 PolarHBondContact O-N 2.75Å
65S98.3Very high92.8Very high21 Ų2172.5 Ų72.515%0.14737%0.368CS..  trans-61.6145.4170.5-64.60000111.2F4 Q62 K63F4-S65 PolarHBondContact N-O 3.34Å; Q62-S65 PolarHBondContact N-OG 3.16Å; Q62-S65 WeakPolarHBondContact O-CB 3.13Å; Q62-S65 PolarHBondContact O-N 3.47Å; Q62-S65 PolarHBondContact O-OG 3.41Å; K63-S65 PolarHBondContact O-N 2.81Å; K63-S65 VanDerWaalsContact O-N 3.14Å
66T98.3Very high91.9Very high58 Ų5871.5 Ų71.536%0.35636%0.364SS..EExtended strand (participates in β ladder)trans-111.1116.7176.4-58.50000110.9F4 K6F4-T66 HydrophobicContact CB-CG2 4.31Å; F4-T66 CarbonylContact O-C 3.51Å; F4-T66 WeakPolarHBondContact O-CA 3.47Å; K6-T66 HydrophobicContact CB-CG2 4.01Å
67L98.5Very high91.5Very high0 Ų072.7 Ų72.70%037%0.37CS..EExtended strand (participates in β ladder)trans-90.3153.9170.8-71.861.5000108.8I3 F4 V5 K6 L43 F45 L50 I61I3-L67 HydrophobicContact CD1-CD1 4.03Å; I3-L67 HydrophobicContact CD1-CD2 4.16Å; F4-L67 PolarHBondContact O-N 2.87Å; V5-L67 CarbonylContact C-O 3.57Å; V5-L67 WeakPolarHBondContact CA-O 3.4Å; V5-L67 HydrophobicContact CG2-CB 4.35Å; K6-L67 PolarHBondContact N-O 3.21Å; L43-L67 HydrophobicContact CD1-CD2 4.38Å; F45-L67 HydrophobicContact CB-CG 4.44Å; F45-L67 HydrophobicContact CD2-CD1 4.29Å; F45-L67 HydrophobicContact CD2-CG 4.48Å; L50-L67 HydrophobicContact CD1-CD2 3.87Å; L50-L67 HydrophobicContact CD1-CG 4.34Å; I61-L67 HydrophobicContact CD1-CD1 4.24Å; I61-L67 HydrophobicContact CD1-CD2 4.32Å; I61-L67 HydrophobicContact CD1-CG 4.39Å; I61-L67 HydrophobicContact CG2-CD1 3.97Å
68H98.4Very high91.3Very high94 Ų9472.8 Ų72.844%0.43536%0.364SS..EExtended strand (participates in β ladder)trans-108.2129.5173.6-66.373.6000109.8K6 L43 I44K6-H68 CarbonylContact O-C 3.54Å; K6-H68 WeakPolarHBondContact O-CA 3.46Å; L43-H68 CarbonylContact C-O 3.59Å; L43-H68 WeakPolarHBondContact CA-O 3.44Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 2.89Å; I44-H68 PolarHBondContact O-N 3.42Å
69L97.5Very high91.2Very high4 Ų468.2 Ų68.22%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-100121.9175.117563.5000110.4V5 K6 T7 I30 I36 Q41 L43 L71V5-L69 HydrophobicContact CG1-CB 3.6Å; K6-L69 PolarHBondContact O-N 3.12Å; T7-L69 HydrophobicContact CG2-CD2 4.38Å; I30-L69 HydrophobicContact CG2-CD2 4Å; I36-L69 HydrophobicContact CD1-CD2 4.31Å; Q41-L69 HydrophobicContact CB-CD1 3.73Å; Q41-L69 HydrophobicContact CG-CD1 3.92Å; L43-L69 HydrophobicContact CD2-CB 4.11Å; L43-L69 HydrophobicContact CD2-CD1 3.79Å; L69-L71 HydrophobicContact CD1-CD2 4.4Å; L69-L71 HydrophobicContact CD2-CD2 4.31Å; L69-L71 HydrophobicContact CG-CD2 4.25Å
70V94.7Very high91.2Very high33 Ų3369.1 Ų69.120%0.234%0.344CS..EExtended strand (participates in β ladder)trans-114.6133.5170.7177.80000108.6L8 R42 I44L8-V70 HydrophobicContact CD1-CG1 4.24Å; L8-V70 HydrophobicContact CD1-CG2 4.5Å; L8-V70 HydrophobicContact CD2-CG2 4.09Å; L8-V70 HydrophobicContact CG-CG2 4.37Å; R42-V70 WeakPolarHBondContact CA-O 3.08Å; R42-V70 HydrophobicContact CB-CB 4.3Å; R42-V70 VanDerWaalsContact CB-O 3.32Å; R42-V70 WeakPolarHBondContact CB-O 3.44Å; R42-V70 PolarHBondContact N-O 3.4Å; R42-V70 PolarHBondContact O-N 2.93Å; I44-V70 HydrophobicContact CD1-CB 4.41Å; I44-V70 HydrophobicContact CD1-CG2 3.68Å
71L91.8Very high91.3Very high87 Ų8763.4 Ų63.446%0.45531%0.314SS..EExtended strand (participates in β ladder)trans-85.3135.5177.8-55.8-176.9000110.9I36 Q40 L69I36-L71 HydrophobicContact CD1-CD1 4.47Å; I36-L71 HydrophobicContact CD1-CD2 3.79Å; I36-L71 HydrophobicContact CG2-CD2 3.71Å; Q40-L71 CarbonylContact O-C 3.59Å; Q40-L71 WeakPolarHBondContact O-CA 3.33Å; L69-L71 HydrophobicContact CD1-CD2 4.4Å; L69-L71 HydrophobicContact CD2-CD2 4.31Å; L69-L71 HydrophobicContact CG-CD2 4.25Å
72R85.2Confident91.3Very high76 Ų7667.6 Ų67.629%0.28733%0.332SS..  trans-90129.3171-62.2176.6175.6170.9-1.5108.5D39 Q40 R42D39-R72 WeakPolarHBondContact O-CD 3.22Å; Q40-R72 PolarHBondContact O-N 3.32Å; R42-R72 HydrophobicContact CB-CG 4.23Å
73L72.3Confident91.1Very high156 Ų15663.5 Ų63.582%0.81732%0.315SS*.SBendtrans-81-14.9-170.9-68.9172.6000115
74R65.3Low90.8Very high232 Ų23263.8 Ų63.888%0.87532%0.321SS*.SBendtrans-151.327.3-160.8-60.8-171.5-178.2175.50.4115.9
75G68.1Low90.4Very high56 Ų5664 Ų6458%0.57733%0.331SS*.  trans-102.8-9.5-164.800000117.8
76G78.6Confident90.2Very high11 Ų1165.6 Ų65.611%0.11335%0.351CS..SBendtrans-112.5174.2-156.300000118.2D39 Q78D39-G76 WeakPolarHBondContact OD2-CA 3.31Å; G76-Q78 PolarHBondContact O-N 2.68Å
77M91Very high90Very high25 Ų2567.6 Ų67.612%0.12335%0.354CS..EExtended strand (participates in β ladder)trans-72.2117170.1167.3168.3163.900108.7I79 V93 P95 L132 I137 Q138 K139M77-I79 HydrophobicContact CE-CG2 4.04Å; M77-V93 WeakPolarHBondContact CB-O 3.43Å; M77-V93 HydrophobicContact CE-CG2 4.14Å; M77-V93 HydrophobicContact CG-CG2 4.04Å; M77-V93 PolarHBondContact O-N 3.18Å; M77-P95 HydrophobicContact SD-CG 3.89Å; M77-L132 HydrophobicContact CE-CD1 4.47Å; M77-I137 WeakPolarHBondContact CE-O 3.41Å; M77-Q138 VanDerWaalsContact CE-C 3.43Å; M77-K139 HydrophobicContact CG-CB 4.1Å
78Q93.3Very high90Very high63 Ų6370.8 Ų70.829%0.29437%0.374SS..EExtended strand (participates in β ladder)trans-101.7143.6174.1-70.2177.910.800110.4G76 T90 L91 E92 E140G76-Q78 PolarHBondContact O-N 2.68Å; Q78-T90 HydrophobicContact CB-CG2 4.03Å; Q78-T90 HydrophobicContact CG-CG2 3.97Å; Q78-T90 VanDerWaalsContact OE1-CG2 3.28Å; Q78-L91 CarbonylContact C-O 3.48Å; Q78-L91 VanDerWaalsContact CA-O 3.23Å; Q78-L91 WeakPolarHBondContact CA-O 3.39Å; Q78-E92 VanDerWaalsContact CG-CD 3.45Å; Q78-E92 HydrophobicContact CG-CG 4.41Å; Q78-E92 VanDerWaalsContact CG-OE1 3.28Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q78-E92 PolarHBondContact NE2-OE1 3.2Å; Q78-E140 PolarHBondContact O-N 2.7Å
79I97.3Very high89.9Confident0 Ų066.7 Ų66.70%036%0.355CS..EExtended strand (participates in β ladder)trans-123.9164.4163.763.6171000109.4M77 L91 V93 V102 L132 I137 L143M77-I79 HydrophobicContact CE-CG2 4.04Å; I79-L91 HydrophobicContact CG1-CB 4.01Å; I79-L91 PolarHBondContact N-O 3.44Å; I79-L91 PolarHBondContact O-N 3.48Å; I79-V93 HydrophobicContact CB-CG2 4.27Å; I79-V93 HydrophobicContact CD1-CG1 3.92Å; I79-V93 HydrophobicContact CD1-CG2 4.07Å; I79-V93 HydrophobicContact CG1-CG1 3.93Å; I79-V93 HydrophobicContact CG1-CG2 3.8Å; I79-V93 HydrophobicContact CG2-CG2 3.71Å; I79-V102 HydrophobicContact CD1-CG1 4.3Å; I79-L132 HydrophobicContact CD1-CD1 4.17Å; I79-L132 HydrophobicContact CD1-CD2 4.32Å; I79-I137 HydrophobicContact CG2-CG2 3.95Å; I79-L143 HydrophobicContact CD1-CD1 4.07Å; I79-L143 HydrophobicContact CD1-CD2 4.21Å
80F98.3Very high89.8Confident52 Ų5268.9 Ų68.923%0.22837%0.369CS..EExtended strand (participates in β ladder)trans-112.8141.8177.6-56.5-70.6000110.4T88 I89 T90 E140 S141 T142 L143F80-T88 HydrophobicContact CB-CG2 3.85Å; F80-T88 HydrophobicContact CD1-CG2 4.02Å; F80-T88 HydrophobicContact CG-CG2 4.24Å; F80-I89 CarbonylContact C-O 3.6Å; F80-I89 WeakPolarHBondContact CA-O 2.85Å; F80-T90 HydrophobicContact CD1-CG2 4.34Å; F80-T90 HydrophobicContact CE1-CG2 4.02Å; F80-E140 HydrophobicContact CE2-CB 3.95Å; F80-E140 HydrophobicContact CE2-CG 3.97Å; F80-E140 HydrophobicContact CZ-CG 4.47Å; F80-S141 PolarHBondContact N-O 2.89Å; F80-T142 HydrophobicContact CB-CG2 4.31Å; F80-T142 CarbonylContact O-C 3.56Å; F80-T142 VanDerWaalsContact O-CA 3.31Å; F80-T142 WeakPolarHBondContact O-CA 3.07Å; F80-L143 PolarHBondContact O-N 2.79Å
81V98.4Very high89.7Confident0 Ų067.4 Ų67.40%036%0.36CS..EExtended strand (participates in β ladder)trans-120.6114.7172.9-178.50000108.3T88 I89 L91 I106 L119 L143 L145V81-T88 WeakPolarHBondContact O-CA 3.3Å; V81-I89 HydrophobicContact CB-CB 4.43Å; V81-I89 PolarHBondContact N-O 3.21Å; V81-I89 PolarHBondContact O-N 3.26Å; V81-L91 HydrophobicContact CG2-CD1 3.52Å; V81-L91 HydrophobicContact CG2-CG 4.14Å; V81-I106 HydrophobicContact CG1-CD1 4.18Å; V81-I106 HydrophobicContact CG2-CD1 4.13Å; V81-I106 HydrophobicContact CG2-CG1 4.5Å; V81-L119 HydrophobicContact CG1-CD2 4.25Å; V81-L143 CarbonylContact C-O 3.51Å; V81-L143 WeakPolarHBondContact CA-O 3.47Å; V81-L143 HydrophobicContact CG2-CB 4.38Å; V81-L145 HydrophobicContact CG1-CB 3.57Å; V81-L145 HydrophobicContact CG1-CD2 4.43Å
82K98.1Very high89.8Confident90 Ų9065 Ų6539%0.39135%0.346SS..EExtended strand (participates in β ladder)trans-91.8126.4174.9-77.6-173.3-180-175.10110.6K87 T88 T142 L143 H144 L145K82-K87 WeakPolarHBondContact CA-O 3.48Å; K82-T88 HydrophobicContact CG-CG2 4.33Å; K82-T142 HydrophobicContact CB-CG2 4.26Å; K82-T142 HydrophobicContact CD-CG2 3.79Å; K82-T142 HydrophobicContact CG-CG2 3.71Å; K82-L143 PolarHBondContact N-O 3.44Å; K82-H144 WeakPolarHBondContact O-CA 3.38Å; K82-L145 PolarHBondContact O-N 2.87Å
83T94.3Very high90.2Very high26 Ų2661.4 Ų61.416%0.1633%0.333CS..EExtended strand (participates in β ladder)trans-83.1166173.670.80000111T85 G86 K87 I89 L145T83-T85 PolarHBondContact O-N 2.76Å; T83-T85 PolarHBondContact OG1-N 3.31Å; T83-T85 PolarHBondContact OG1-OG1 3.47Å; T83-G86 PolarHBondContact O-N 2.68Å; T83-K87 HydrophobicContact CG2-CB 4.29Å; T83-K87 PolarHBondContact N-O 3.04Å; T83-K87 WeakPolarHBondContact OG1-CB 3.2Å; T83-K87 PolarHBondContact OG1-N 3.22Å; T83-K87 PolarHBondContact OG1-O 2.93Å; T83-I89 HydrophobicContact CG2-CD1 3.83Å; T83-L145 HydrophobicContact CG2-CD2 4.5Å
84L90.9Very high91.2Very high134 Ų13455.5 Ų55.570%0.70230%0.301SS*.THydrogen-bonded Turntrans-59.7-23.6171.6-68.1178.8000113.9G86 V146L84-G86 PolarHBondContact O-N 3.03Å; L84-V146 HydrophobicContact CD1-CG1 4.28Å; L84-V146 HydrophobicContact CD2-CG2 4.11Å
85T90.4Very high92.6Very high126 Ų12647.3 Ų47.377%0.77328%0.278SS*.THydrogen-bonded Turntrans-82.8-1.7176.560.20000112.9T83 K87T83-T85 PolarHBondContact O-N 2.76Å; T83-T85 PolarHBondContact OG1-N 3.31Å; T83-T85 PolarHBondContact OG1-OG1 3.47Å; T85-K87 VanDerWaalsContact C-N 3.32Å
86G93Very high93.8Very high54 Ų5448.3 Ų48.356%0.55728%0.276SS*.SBendtrans84.9-2.4-177.200000114.6T83 L84 T88T83-G86 PolarHBondContact O-N 2.68Å; L84-G86 PolarHBondContact O-N 3.03Å; G86-T88 PolarHBondContact O-N 2.75Å
87K95.5Very high94.6Very high100 Ų10048 Ų4844%0.43527%0.272SS..  trans-64.1133.8173.2-176.6-178.2172.6-169.50109.2K82 T83 T85 E110K82-K87 WeakPolarHBondContact CA-O 3.48Å; T83-K87 HydrophobicContact CG2-CB 4.29Å; T83-K87 PolarHBondContact N-O 3.04Å; T83-K87 WeakPolarHBondContact OG1-CB 3.2Å; T83-K87 PolarHBondContact OG1-N 3.22Å; T83-K87 PolarHBondContact OG1-O 2.93Å; T85-K87 VanDerWaalsContact C-N 3.32Å; K87-E110 WeakPolarHBondContact CE-OE1 3.46Å; K87-E110 IonicContact NZ-OE1 2.67Å; K87-E110 PolarHBondContact NZ-OE1 3.46Å; K87-E110 IonicContact NZ-OE2 3.32Å; K87-E110 PolarHBondContact NZ-OE2 2.8Å
88T97.3Very high94.9Very high67 Ų6748.5 Ų48.541%0.41128%0.276SS..EExtended strand (participates in β ladder)trans-106.3127.9174.1-56.70000109.4F80 V81 K82 G86F80-T88 HydrophobicContact CB-CG2 3.85Å; F80-T88 HydrophobicContact CD1-CG2 4.02Å; F80-T88 HydrophobicContact CG-CG2 4.24Å; V81-T88 WeakPolarHBondContact O-CA 3.3Å; K82-T88 HydrophobicContact CG-CG2 4.33Å; G86-T88 PolarHBondContact O-N 2.75Å
89I96Very high95.1Very high8 Ų845.5 Ų45.54%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-111.5128.9178.8-56.6149.6000107.7F80 V81 T83 L91 K109 E110F80-I89 CarbonylContact C-O 3.6Å; F80-I89 WeakPolarHBondContact CA-O 2.85Å; V81-I89 HydrophobicContact CB-CB 4.43Å; V81-I89 PolarHBondContact N-O 3.21Å; V81-I89 PolarHBondContact O-N 3.26Å; T83-I89 HydrophobicContact CG2-CD1 3.83Å; I89-L91 HydrophobicContact CG2-CD2 4.06Å; I89-K109 HydrophobicContact CG2-CB 4.47Å; I89-K109 HydrophobicContact CG2-CD 3.91Å; I89-E110 HydrophobicContact CD1-CG 3.42Å; I89-E110 VanDerWaalsContact CD1-CG 3.42Å; I89-E110 HydrophobicContact CG1-CG 4.14Å
90T95.1Very high95.1Very high51 Ų5151 Ų5131%0.31329%0.288SS..EExtended strand (participates in β ladder)trans-88.2128.6172.7-51.60000109.8Q78 F80 K109Q78-T90 HydrophobicContact CB-CG2 4.03Å; Q78-T90 HydrophobicContact CG-CG2 3.97Å; Q78-T90 VanDerWaalsContact OE1-CG2 3.28Å; F80-T90 HydrophobicContact CD1-CG2 4.34Å; F80-T90 HydrophobicContact CE1-CG2 4.02Å; T90-K109 PolarHBondContact O-NZ 2.86Å
91L94.3Very high95Very high1 Ų152 Ų521%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-117140.8174-60.1179.3000110.3Q78 I79 V81 I89 V93 V102 K105 I106 K109Q78-L91 CarbonylContact C-O 3.48Å; Q78-L91 VanDerWaalsContact CA-O 3.23Å; Q78-L91 WeakPolarHBondContact CA-O 3.39Å; I79-L91 HydrophobicContact CG1-CB 4.01Å; I79-L91 PolarHBondContact N-O 3.44Å; I79-L91 PolarHBondContact O-N 3.48Å; V81-L91 HydrophobicContact CG2-CD1 3.52Å; V81-L91 HydrophobicContact CG2-CG 4.14Å; I89-L91 HydrophobicContact CG2-CD2 4.06Å; L91-V93 HydrophobicContact CB-CG1 3.99Å; L91-V102 HydrophobicContact CD1-CG1 3.9Å; L91-K105 HydrophobicContact CD2-CB 4.27Å; L91-I106 HydrophobicContact CD1-CD1 4.1Å; L91-I106 HydrophobicContact CD1-CG1 3.55Å; L91-I106 HydrophobicContact CD2-CG1 4.34Å; L91-K109 HydrophobicContact CD2-CD 3.88Å; L91-K109 HydrophobicContact CD2-CG 4.5Å
92E92.5Very high94.9Very high36 Ų3652 Ų5217%0.16830%0.296CS..EExtended strand (participates in β ladder)trans-95.4121.6171.5-65-79.6176.100108Q40 Q78 K105Q40-E92 PolarHBondContact NE2-OE2 3.31Å; Q78-E92 VanDerWaalsContact CG-CD 3.45Å; Q78-E92 HydrophobicContact CG-CG 4.41Å; Q78-E92 VanDerWaalsContact CG-OE1 3.28Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q78-E92 PolarHBondContact NE2-OE1 3.2Å; E92-K105 PolarHBondContact O-NZ 3.45Å; E92-K105 VanDerWaalsContact O-NZ 3.12Å
93V93.6Very high94.9Very high1 Ų148 Ų481%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-143.2162.5-167.9-610000111.1M77 I79 L91 D97 V102 K105 L132M77-V93 WeakPolarHBondContact CB-O 3.43Å; M77-V93 HydrophobicContact CE-CG2 4.14Å; M77-V93 HydrophobicContact CG-CG2 4.04Å; M77-V93 PolarHBondContact O-N 3.18Å; I79-V93 HydrophobicContact CB-CG2 4.27Å; I79-V93 HydrophobicContact CD1-CG1 3.92Å; I79-V93 HydrophobicContact CD1-CG2 4.07Å; I79-V93 HydrophobicContact CG1-CG1 3.93Å; I79-V93 HydrophobicContact CG1-CG2 3.8Å; I79-V93 HydrophobicContact CG2-CG2 3.71Å; L91-V93 HydrophobicContact CB-CG1 3.99Å; V93-D97 WeakPolarHBondContact CA-OD2 3.44Å; V93-D97 WeakPolarHBondContact CB-OD2 3.49Å; V93-V102 HydrophobicContact CG1-CG2 4.34Å; V93-K105 HydrophobicContact CG1-CD 4.14Å; V93-L132 HydrophobicContact CB-CD1 3.6Å; V93-L132 HydrophobicContact CG1-CD1 4.13Å; V93-L132 HydrophobicContact CG2-CD1 3.46Å; V93-L132 VanDerWaalsContact CG2-CD1 3.46Å
94E93.3Very high94.9Very high33 Ų3348.4 Ų48.415%0.15429%0.285CS..  trans-114.5154.6168.3-67.5-177.412300110.9Q31 P37 P38 S96 D97Q31-E94 PolarHBondContact NE2-OE2 3.11Å; Q31-E94 PolarHBondContact OE1-OE2 3.33Å; P37-E94 HydrophobicContact CB-CG 4.47Å; P38-E94 WeakPolarHBondContact CD-OE1 3.44Å; P38-E94 VanDerWaalsContact CD-OE2 3.22Å; P38-E94 WeakPolarHBondContact CD-OE2 3.2Å; E94-S96 PolarHBondContact O-N 3.03Å; E94-S96 VanDerWaalsContact O-N 3.11Å; E94-D97 PolarHBondContact N-OD2 3.11Å; E94-D97 VanDerWaalsContact O-CB 3.31Å; E94-D97 WeakPolarHBondContact O-CB 3.42Å; E94-D97 PolarHBondContact O-N 3.49Å
95P94.5Very high95.1Very high60 Ų6043.6 Ų43.639%0.3926%0.258SS..THydrogen-bonded Turntrans-55.5-29.5175.3-25.734.5000113.7M77 L132 S133M77-P95 HydrophobicContact SD-CG 3.89Å; P95-L132 PolarHBondContact O-N 2.92Å; P95-S133 VanDerWaalsContact O-CB 3.31Å; P95-S133 WeakPolarHBondContact O-CB 3.38Å; P95-S133 PolarHBondContact O-N 3.16Å
96S93.7Very high95.3Very high77 Ų7737.6 Ų37.654%0.53822%0.221SC..THydrogen-bonded Turntrans-78.1-13176.948.30000114.1E94 T98 T131E94-S96 PolarHBondContact O-N 3.03Å; E94-S96 VanDerWaalsContact O-N 3.11Å; S96-T98 PolarHBondContact O-N 3.07Å; S96-T131 WeakPolarHBondContact O-CG2 3.41Å
97D95.5Very high95.4Very high3 Ų337.8 Ų37.82%0.01621%0.208CC..  trans-59.4128.8178.6-85.3-32.7000109.8V93 E94 N101 V102 K105 T131 L132V93-D97 WeakPolarHBondContact CA-OD2 3.44Å; V93-D97 WeakPolarHBondContact CB-OD2 3.49Å; E94-D97 PolarHBondContact N-OD2 3.11Å; E94-D97 VanDerWaalsContact O-CB 3.31Å; E94-D97 WeakPolarHBondContact O-CB 3.42Å; E94-D97 PolarHBondContact O-N 3.49Å; D97-N101 HydrophobicContact CB-CB 4.39Å; D97-V102 HydrophobicContact CB-CG2 4.22Å; D97-K105 WeakPolarHBondContact OD2-CE 3.26Å; D97-K105 IonicContact OD2-NZ 2.7Å; D97-T131 CarbonylContact O-C 3.58Å; D97-T131 VanDerWaalsContact O-CA 3.24Å; D97-T131 WeakPolarHBondContact O-CA 2.98Å; D97-L132 HydrophobicContact CB-CD1 4.35Å; D97-L132 PolarHBondContact O-N 3.37Å
98T96.9Very high95.2Very high36 Ų3638.4 Ų38.422%0.22122%0.216CC..BIsolated β-bridgetrans-69.8157.5170.764.40000110.4S96 E100 N101 V102 R130S96-T98 PolarHBondContact O-N 3.07Å; T98-E100 PolarHBondContact O-N 3.34Å; T98-N101 WeakPolarHBondContact O-CB 3.38Å; T98-N101 PolarHBondContact O-N 2.88Å; T98-N101 PolarHBondContact OG1-N 2.95Å; T98-N101 VanDerWaalsContact OG1-N 3.1Å; T98-N101 PolarHBondContact OG1-OD1 3.33Å; T98-V102 WeakPolarHBondContact O-CG2 3.46Å; T98-V102 PolarHBondContact O-N 3.33Å; T98-R130 CarbonylContact C-O 3.59Å; T98-R130 VanDerWaalsContact CA-O 3.25Å; T98-R130 WeakPolarHBondContact CA-O 3.32Å
99I98.4Very high95Very high0 Ų040.8 Ų40.80%022%0.221CC..Hα-helixtrans-62.4-31.7174.2-60.6-53.8000111V102 K103 L119 L126 E127 D128 R130 L132 Y135I99-V102 PolarHBondContact O-N 2.85Å; I99-K103 WeakPolarHBondContact O-CG 3.15Å; I99-K103 PolarHBondContact O-N 3.3Å; I99-L119 HydrophobicContact CG2-CD1 4.18Å; I99-L126 HydrophobicContact CD1-CB 4.06Å; I99-L126 HydrophobicContact CD1-CD1 3.68Å; I99-L126 HydrophobicContact CD1-CG 4.41Å; I99-L126 HydrophobicContact CG1-CB 3.95Å; I99-L126 HydrophobicContact CG1-CD1 4.49Å; I99-L126 HydrophobicContact CG2-CB 3.84Å; I99-E127 VanDerWaalsContact CB-O 3.26Å; I99-E127 WeakPolarHBondContact CB-O 3.23Å; I99-E127 VanDerWaalsContact CG1-O 3.23Å; I99-E127 WeakPolarHBondContact CG1-O 3.28Å; I99-D128 PolarHBondContact N-O 3.17Å; I99-R130 WeakPolarHBondContact CG1-O 3.48Å; I99-R130 PolarHBondContact N-O 2.83Å; I99-L132 HydrophobicContact CD1-CD2 3.93Å; I99-Y135 HydrophobicContact CD1-CD2 4.31Å; I99-Y135 HydrophobicContact CD1-CE2 4.42Å; I99-Y135 HydrophobicContact CG1-CD2 4.46Å; I99-Y135 HydrophobicContact CG1-CE2 4.11Å
100E97.4Very high94.9Very high117 Ų11743.4 Ų43.455%0.54723%0.233SC..Hα-helixtrans-58.9-47.7169.6-172.9170.9-151.400112.2T98 V102 K103 A104 D128T98-E100 PolarHBondContact O-N 3.34Å; E100-V102 VanDerWaalsContact C-N 3.31Å; E100-V102 PolarHBondContact O-N 2.95Å; E100-K103 WeakPolarHBondContact O-CB 3.4Å; E100-K103 PolarHBondContact O-N 2.84Å; E100-K103 VanDerWaalsContact O-N 3.13Å; E100-A104 PolarHBondContact O-N 2.74Å; E100-D128 HydrophobicContact CB-CB 4.22Å; E100-D128 PolarHBondContact N-O 2.72Å
101N95.2Very high94.8Very high71 Ų7143.5 Ų43.538%0.3824%0.244SC..Hα-helixtrans-60.6-41.9176.1-69-5.6000111.5D97 T98 K103 A104 K105D97-N101 HydrophobicContact CB-CB 4.39Å; T98-N101 WeakPolarHBondContact O-CB 3.38Å; T98-N101 PolarHBondContact O-N 2.88Å; T98-N101 PolarHBondContact OG1-N 2.95Å; T98-N101 VanDerWaalsContact OG1-N 3.1Å; T98-N101 PolarHBondContact OG1-OD1 3.33Å; N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.38Å; N101-A104 PolarHBondContact O-N 3.11Å; N101-K105 WeakPolarHBondContact O-CG 3.33Å; N101-K105 PolarHBondContact O-N 3.43Å
102V96.9Very high94.7Very high0 Ų044.9 Ų44.90%025%0.251CS..Hα-helixtrans-61.5-41.1176.4176.90000110.9I79 L91 V93 D97 T98 I99 E100 K105 I106 L119 L132I79-V102 HydrophobicContact CD1-CG1 4.3Å; L91-V102 HydrophobicContact CD1-CG1 3.9Å; V93-V102 HydrophobicContact CG1-CG2 4.34Å; D97-V102 HydrophobicContact CB-CG2 4.22Å; T98-V102 WeakPolarHBondContact O-CG2 3.46Å; T98-V102 PolarHBondContact O-N 3.33Å; I99-V102 PolarHBondContact O-N 2.85Å; E100-V102 VanDerWaalsContact C-N 3.31Å; E100-V102 PolarHBondContact O-N 2.95Å; V102-K105 WeakPolarHBondContact O-CB 3.47Å; V102-K105 PolarHBondContact O-N 3.38Å; V102-I106 HydrophobicContact CG1-CD1 4.32Å; V102-I106 WeakPolarHBondContact O-CG1 3.41Å; V102-I106 PolarHBondContact O-N 3.09Å; V102-L119 HydrophobicContact CB-CD1 4.4Å; V102-L119 HydrophobicContact CG1-CD1 3.82Å; V102-L132 HydrophobicContact CG2-CD1 4.09Å; V102-L132 HydrophobicContact CG2-CD2 3.93Å; V102-L132 HydrophobicContact CG2-CG 4.05Å
103K97.5Very high94.7Very high6 Ų643.9 Ų43.93%0.02625%0.247CC..Hα-helixtrans-64.9-40.8175-72.5172.5166.9-171.20112.6I99 E100 N101 K105 I106 Q107 P114 Q117 L119 D128I99-K103 WeakPolarHBondContact O-CG 3.15Å; I99-K103 PolarHBondContact O-N 3.3Å; E100-K103 WeakPolarHBondContact O-CB 3.4Å; E100-K103 PolarHBondContact O-N 2.84Å; E100-K103 VanDerWaalsContact O-N 3.13Å; N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.38Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 3.1Å; K103-I106 WeakPolarHBondContact O-CB 3.46Å; K103-I106 PolarHBondContact O-N 3.27Å; K103-I106 VanDerWaalsContact O-N 3.16Å; K103-Q107 PolarHBondContact O-N 3.32Å; K103-P114 HydrophobicContact CB-CB 3.86Å; K103-P114 HydrophobicContact CB-CG 4.34Å; K103-P114 HydrophobicContact CD-CB 4.23Å; K103-P114 PolarHBondContact NZ-O 3.15Å; K103-Q117 VanDerWaalsContact CA-OE1 3.27Å; K103-Q117 HydrophobicContact CD-CB 4.32Å; K103-Q117 VanDerWaalsContact CE-O 3.32Å; K103-Q117 WeakPolarHBondContact CE-O 3.24Å; K103-Q117 HydrophobicContact CG-CB 4.1Å; K103-Q117 PolarHBondContact NZ-O 2.83Å; K103-Q117 PolarHBondContact O-NE2 2.77Å; K103-Q117 PolarHBondContact O-OE1 3.46Å; K103-L119 HydrophobicContact CG-CD1 3.88Å; K103-L119 HydrophobicContact CG-CG 4.38Å; K103-D128 WeakPolarHBondContact CD-OD1 3.47Å; K103-D128 WeakPolarHBondContact CE-OD1 3.46Å; K103-D128 VanDerWaalsContact NZ-CG 3.35Å; K103-D128 IonicContact NZ-OD1 3.53Å; K103-D128 PolarHBondContact NZ-OD1 2.9Å; K103-D128 IonicContact NZ-OD2 2.68Å; K103-D128 PolarHBondContact NZ-OD2 3.02Å
104A95.4Very high94.8Very high36 Ų3645.4 Ų45.430%0.29826%0.257SS..Hα-helixtrans-59.5-44.1173.900000111.1E100 N101 I106 Q107 D108E100-A104 PolarHBondContact O-N 2.74Å; N101-A104 PolarHBondContact O-N 3.11Å; A104-I106 VanDerWaalsContact C-N 3.27Å; A104-I106 PolarHBondContact O-N 2.98Å; A104-Q107 WeakPolarHBondContact O-CA 3.08Å; A104-Q107 VanDerWaalsContact O-CB 3.29Å; A104-Q107 WeakPolarHBondContact O-CB 3.36Å; A104-Q107 PolarHBondContact O-N 2.67Å; A104-D108 PolarHBondContact O-N 2.79Å
105K94.5Very high94.8Very high32 Ų3248.6 Ų48.614%0.13928%0.276CS..Hα-helixtrans-60.4-35.4174.8-66.5167.6-169.9-88.30112.7L91 E92 V93 D97 N101 V102 K103 K109L91-K105 HydrophobicContact CD2-CB 4.27Å; E92-K105 PolarHBondContact O-NZ 3.45Å; E92-K105 VanDerWaalsContact O-NZ 3.12Å; V93-K105 HydrophobicContact CG1-CD 4.14Å; D97-K105 WeakPolarHBondContact OD2-CE 3.26Å; D97-K105 IonicContact OD2-NZ 2.7Å; N101-K105 WeakPolarHBondContact O-CG 3.33Å; N101-K105 PolarHBondContact O-N 3.43Å; V102-K105 WeakPolarHBondContact O-CB 3.47Å; V102-K105 PolarHBondContact O-N 3.38Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 3.1Å; K105-K109 PolarHBondContact O-N 3.11Å
106I95.8Very high94.8Very high0 Ų048.1 Ų48.10%027%0.268CS..Hα-helixtrans-68.4-41.6173.3-66.5164.7000110.7V81 L91 V102 K103 A104 D108 K109 E110 L119 L145V81-I106 HydrophobicContact CG1-CD1 4.18Å; V81-I106 HydrophobicContact CG2-CD1 4.13Å; V81-I106 HydrophobicContact CG2-CG1 4.5Å; L91-I106 HydrophobicContact CD1-CD1 4.1Å; L91-I106 HydrophobicContact CD1-CG1 3.55Å; L91-I106 HydrophobicContact CD2-CG1 4.34Å; V102-I106 HydrophobicContact CG1-CD1 4.32Å; V102-I106 WeakPolarHBondContact O-CG1 3.41Å; V102-I106 PolarHBondContact O-N 3.09Å; K103-I106 WeakPolarHBondContact O-CB 3.46Å; K103-I106 PolarHBondContact O-N 3.27Å; K103-I106 VanDerWaalsContact O-N 3.16Å; A104-I106 VanDerWaalsContact C-N 3.27Å; A104-I106 PolarHBondContact O-N 2.98Å; I106-D108 VanDerWaalsContact C-N 3.28Å; I106-D108 PolarHBondContact O-N 3.06Å; I106-K109 PolarHBondContact O-N 3.24Å; I106-E110 HydrophobicContact CG2-CB 4.5Å; I106-E110 HydrophobicContact CG2-CG 4.49Å; I106-E110 WeakPolarHBondContact O-CB 3.47Å; I106-E110 PolarHBondContact O-N 2.94Å; I106-L119 HydrophobicContact CD1-CD1 3.97Å; I106-L119 HydrophobicContact CD1-CD2 3.64Å; I106-L119 HydrophobicContact CD1-CG 4.33Å; I106-L145 HydrophobicContact CG2-CD2 3.97Å
107Q95.2Very high94.9Very high58 Ų5844.5 Ų44.527%0.27124%0.242SC..Hα-helixtrans-58.7-42.6175.5-176-176.715.100111K103 A104 K109 G111 I112 P114K103-Q107 PolarHBondContact O-N 3.32Å; A104-Q107 WeakPolarHBondContact O-CA 3.08Å; A104-Q107 VanDerWaalsContact O-CB 3.29Å; A104-Q107 WeakPolarHBondContact O-CB 3.36Å; A104-Q107 PolarHBondContact O-N 2.67Å; Q107-K109 VanDerWaalsContact C-N 3.27Å; Q107-K109 PolarHBondContact O-N 3.09Å; Q107-G111 WeakPolarHBondContact O-CA 3.46Å; Q107-G111 PolarHBondContact O-N 3.16Å; Q107-I112 WeakPolarHBondContact CA-O 3.47Å; Q107-I112 VanDerWaalsContact CB-O 3.22Å; Q107-I112 WeakPolarHBondContact CB-O 3.26Å; Q107-I112 WeakPolarHBondContact CG-O 3.5Å; Q107-P114 VanDerWaalsContact OE1-CD 3.28Å
108D90.7Very high95Very high114 Ų11449 Ų4961%0.6126%0.259SS*.Hα-helixtrans-63.6-33.8179.2-74.4-32.5000113.2A104 I106A104-D108 PolarHBondContact O-N 2.79Å; I106-D108 VanDerWaalsContact C-N 3.28Å; I106-D108 PolarHBondContact O-N 3.06Å
109K92.5Very high95Very high117 Ų11747.3 Ų47.351%0.50925%0.249SC..Hα-helixtrans-86.1-38.8-179.7-69.5-157.2177.9-156.30114.1I89 T90 L91 K105 I106 Q107I89-K109 HydrophobicContact CG2-CB 4.47Å; I89-K109 HydrophobicContact CG2-CD 3.91Å; T90-K109 PolarHBondContact O-NZ 2.86Å; L91-K109 HydrophobicContact CD2-CD 3.88Å; L91-K109 HydrophobicContact CD2-CG 4.5Å; K105-K109 PolarHBondContact O-N 3.11Å; I106-K109 PolarHBondContact O-N 3.24Å; Q107-K109 VanDerWaalsContact C-N 3.27Å; Q107-K109 PolarHBondContact O-N 3.09Å
110E94Very high95Very high63 Ų6349.4 Ų49.429%0.29426%0.26SS..Hα-helixtrans-117-8.6-169.5-60.6-65.3129.100113.6K87 I89 I106 I112K87-E110 WeakPolarHBondContact CE-OE1 3.46Å; K87-E110 IonicContact NZ-OE1 2.67Å; K87-E110 PolarHBondContact NZ-OE1 3.46Å; K87-E110 IonicContact NZ-OE2 3.32Å; K87-E110 PolarHBondContact NZ-OE2 2.8Å; I89-E110 HydrophobicContact CD1-CG 3.42Å; I89-E110 VanDerWaalsContact CD1-CG 3.42Å; I89-E110 HydrophobicContact CG1-CG 4.14Å; I106-E110 HydrophobicContact CG2-CB 4.5Å; I106-E110 HydrophobicContact CG2-CG 4.49Å; I106-E110 WeakPolarHBondContact O-CB 3.47Å; I106-E110 PolarHBondContact O-N 2.94Å; E110-I112 VanDerWaalsContact C-N 3.27Å; E110-I112 HydrophobicContact CB-CD1 3.72Å; E110-I112 HydrophobicContact CB-CG1 4.02Å; E110-I112 PolarHBondContact O-N 3.09Å
111G93Very high95.1Very high53 Ų5345.8 Ų45.855%0.54624%0.242SC..  trans74.412-179.300000114.7Q107 P113Q107-G111 WeakPolarHBondContact O-CA 3.46Å; Q107-G111 PolarHBondContact O-N 3.16Å; G111-P113 WeakPolarHBondContact O-CD 3.3Å
112I92Very high95.1Very high29 Ų2946.6 Ų46.615%0.14926%0.258CS..  trans-89.1119.8-175.6-57.2161000109.5Q107 E110 Q116 Q117 L145 L147Q107-I112 WeakPolarHBondContact CA-O 3.47Å; Q107-I112 VanDerWaalsContact CB-O 3.22Å; Q107-I112 WeakPolarHBondContact CB-O 3.26Å; Q107-I112 WeakPolarHBondContact CG-O 3.5Å; E110-I112 VanDerWaalsContact C-N 3.27Å; E110-I112 HydrophobicContact CB-CD1 3.72Å; E110-I112 HydrophobicContact CB-CG1 4.02Å; E110-I112 PolarHBondContact O-N 3.09Å; I112-Q116 HydrophobicContact CG2-CB 4.36Å; I112-Q117 HydrophobicContact CB-CG 4.3Å; I112-Q117 HydrophobicContact CG2-CG 3.63Å; I112-Q117 PolarHBondContact O-NE2 3.16Å; I112-L145 HydrophobicContact CD1-CD2 3.98Å; I112-L147 HydrophobicContact CD1-CD2 4.11Å; I112-L147 HydrophobicContact CG2-CD2 3.61Å
113P93.6Very high95.1Very high15 Ų1550.3 Ų50.310%0.09730%0.297CS..  trans-59.2138.7178.4-27.636.9000114.1G111 D115 Q116 Q117G111-P113 WeakPolarHBondContact O-CD 3.3Å; P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 WeakPolarHBondContact CB-OD1 3.38Å; P113-D115 PolarHBondContact O-N 3.48Å; P113-Q116 HydrophobicContact CB-CG 4.19Å; P113-Q116 WeakPolarHBondContact O-CB 3.37Å; P113-Q116 PolarHBondContact O-N 2.94Å; P113-Q117 WeakPolarHBondContact O-CG 3.29Å; P113-Q117 PolarHBondContact O-N 3.07Å
114P95.2Very high95Very high34 Ų3456.7 Ų56.722%0.22133%0.325CS..G310 helixtrans-55.3-33.8-176.9-31.237.4000115.9K103 Q107 Q116 Q117K103-P114 HydrophobicContact CB-CB 3.86Å; K103-P114 HydrophobicContact CB-CG 4.34Å; K103-P114 HydrophobicContact CD-CB 4.23Å; K103-P114 PolarHBondContact NZ-O 3.15Å; Q107-P114 VanDerWaalsContact OE1-CD 3.28Å; P114-Q116 VanDerWaalsContact C-N 3.27Å; P114-Q116 PolarHBondContact O-N 2.9Å; P114-Q117 PolarHBondContact O-N 2.92Å
115D93.2Very high95.1Very high100 Ų10059.2 Ų59.254%0.53533%0.331SS..G310 helixtrans-68.9-26177.764.6-51.8000112.6P113 R148P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 WeakPolarHBondContact CB-OD1 3.38Å; P113-D115 PolarHBondContact O-N 3.48Å; D115-R148 WeakPolarHBondContact O-CD 3.42Å; D115-R148 PolarHBondContact O-NH1 2.8Å
116Q94.2Very high95.3Very high50 Ų5057.9 Ų57.923%0.23433%0.325CS..G310 helixtrans-85-14.1174-60.2-177.31.100112.9I112 P113 P114 R148I112-Q116 HydrophobicContact CG2-CB 4.36Å; P113-Q116 HydrophobicContact CB-CG 4.19Å; P113-Q116 WeakPolarHBondContact O-CB 3.37Å; P113-Q116 PolarHBondContact O-N 2.94Å; P114-Q116 VanDerWaalsContact C-N 3.27Å; P114-Q116 PolarHBondContact O-N 2.9Å; Q116-R148 PolarHBondContact O-N 3.17Å
117Q96.6Very high95.4Very high0 Ų062.8 Ų62.80%035%0.348CS..EExtended strand (participates in β ladder)trans-86.7130.9-179.3-62.3178.540.700111.8K103 I112 P113 P114 L145K103-Q117 VanDerWaalsContact CA-OE1 3.27Å; K103-Q117 HydrophobicContact CD-CB 4.32Å; K103-Q117 VanDerWaalsContact CE-O 3.32Å; K103-Q117 WeakPolarHBondContact CE-O 3.24Å; K103-Q117 HydrophobicContact CG-CB 4.1Å; K103-Q117 PolarHBondContact NZ-O 2.83Å; K103-Q117 PolarHBondContact O-NE2 2.77Å; K103-Q117 PolarHBondContact O-OE1 3.46Å; I112-Q117 HydrophobicContact CB-CG 4.3Å; I112-Q117 HydrophobicContact CG2-CG 3.63Å; I112-Q117 PolarHBondContact O-NE2 3.16Å; P113-Q117 WeakPolarHBondContact O-CG 3.29Å; P113-Q117 PolarHBondContact O-N 3.07Å; P114-Q117 PolarHBondContact O-N 2.92Å; Q117-L145 HydrophobicContact CB-CD1 3.76Å; Q117-L145 HydrophobicContact CG-CD1 3.95Å
118R96.6Very high95.6Very high97 Ų9763.2 Ų63.237%0.36635%0.352SS..EExtended strand (participates in β ladder)trans-118.3109.8165.1179.2-176.9-84166.2-2.4108.9I120 Q125 V146 R148R118-I120 HydrophobicContact CG-CD1 4.49Å; R118-I120 HydrophobicContact CG-CG1 4.22Å; R118-Q125 HydrophobicContact CG-CG 3.89Å; R118-V146 WeakPolarHBondContact CA-O 3.13Å; R118-V146 HydrophobicContact CB-CB 4.29Å; R118-V146 WeakPolarHBondContact CB-O 3.34Å; R118-V146 PolarHBondContact N-O 3.03Å; R118-V146 PolarHBondContact O-N 3.25Å; R118-R148 HydrophobicContact CB-CG 4.47Å
119L98.2Very high95.9Very high1 Ų161.4 Ų61.41%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-90.3137.7174.4-63.6178.4000110.7V81 I99 V102 K103 I106 L126 L143 H144 L145V81-L119 HydrophobicContact CG1-CD2 4.25Å; I99-L119 HydrophobicContact CG2-CD1 4.18Å; V102-L119 HydrophobicContact CB-CD1 4.4Å; V102-L119 HydrophobicContact CG1-CD1 3.82Å; K103-L119 HydrophobicContact CG-CD1 3.88Å; K103-L119 HydrophobicContact CG-CG 4.38Å; I106-L119 HydrophobicContact CD1-CD1 3.97Å; I106-L119 HydrophobicContact CD1-CD2 3.64Å; I106-L119 HydrophobicContact CD1-CG 4.33Å; L119-L126 HydrophobicContact CB-CB 4.25Å; L119-L126 HydrophobicContact CB-CD1 3.99Å; L119-L126 HydrophobicContact CB-CG 4.3Å; L119-L126 PolarHBondContact O-N 2.71Å; L119-L143 HydrophobicContact CD1-CD2 4.38Å; L119-H144 CarbonylContact C-O 3.6Å; L119-H144 WeakPolarHBondContact CA-O 3.27Å; L119-L145 HydrophobicContact CD2-CB 4.12Å; L119-L145 HydrophobicContact CD2-CD1 3.82Å
120I98.3Very high96.1Very high44 Ų4461 Ų6123%0.22636%0.355CS..EExtended strand (participates in β ladder)trans-132.1133.7-177.4-56.7171.8000108.8R118 K124 H144 V146R118-I120 HydrophobicContact CG-CD1 4.49Å; R118-I120 HydrophobicContact CG-CG1 4.22Å; I120-K124 CarbonylContact C-O 3.58Å; I120-K124 VanDerWaalsContact CA-O 3.27Å; I120-K124 WeakPolarHBondContact CA-O 3.42Å; I120-K124 WeakPolarHBondContact CG2-O 3.35Å; I120-H144 HydrophobicContact CB-CB 4.33Å; I120-H144 PolarHBondContact N-O 3.4Å; I120-H144 PolarHBondContact O-N 2.79Å; I120-V146 HydrophobicContact CD1-CB 4.47Å; I120-V146 HydrophobicContact CD1-CG2 3.68Å
121F98.5Very high96.3Very high42 Ų4259.5 Ų59.518%0.18435%0.351CS..EExtended strand (participates in β ladder)trans-141.8137.8173.8-176.9-111.9000109.7G123 K124 L126 I137 T142 L143F121-G123 PolarHBondContact O-N 2.94Å; F121-G123 VanDerWaalsContact O-N 3.12Å; F121-K124 PolarHBondContact N-O 2.86Å; F121-K124 PolarHBondContact O-N 2.92Å; F121-L126 HydrophobicContact CB-CD1 4.18Å; F121-L126 HydrophobicContact CB-CD2 3.97Å; F121-L126 HydrophobicContact CB-CG 4.36Å; F121-I137 HydrophobicContact CB-CD1 4.35Å; F121-I137 HydrophobicContact CD1-CD1 4.07Å; F121-I137 HydrophobicContact CD1-CG1 3.55Å; F121-I137 HydrophobicContact CD2-CG1 4.42Å; F121-I137 HydrophobicContact CE1-CG1 3.63Å; F121-I137 HydrophobicContact CE2-CG1 4.49Å; F121-I137 HydrophobicContact CG-CD1 4.17Å; F121-I137 HydrophobicContact CG-CG1 3.97Å; F121-I137 HydrophobicContact CZ-CG1 4.11Å; F121-T142 WeakPolarHBondContact CD2-O 3.41Å; F121-L143 HydrophobicContact CB-CG 4.34Å; F121-L143 HydrophobicContact CD2-CD1 4.18Å; F121-L143 HydrophobicContact CD2-CG 4.43Å
122A96.3Very high96.6Very high87 Ų8757 Ų5772%0.71933%0.325SS*.THydrogen-bonded Turntrans47.941.4-17900000114K124A122-K124 PolarHBondContact O-N 2.88Å
123G95.2Very high96.8Very high79 Ų7958.4 Ų58.481%0.81434%0.337SS*.THydrogen-bonded Turntrans73.4-0.4-178.700000115.5F121F121-G123 PolarHBondContact O-N 2.94Å; F121-G123 VanDerWaalsContact O-N 3.12Å
124K96.9Very high97Very high139 Ų13962 Ų6260%0.60436%0.355SS*.EExtended strand (participates in β ladder)trans-103.8136.4179.4-64.1-176.4180-179.90110.8I120 F121 A122I120-K124 CarbonylContact C-O 3.58Å; I120-K124 VanDerWaalsContact CA-O 3.27Å; I120-K124 WeakPolarHBondContact CA-O 3.42Å; I120-K124 WeakPolarHBondContact CG2-O 3.35Å; F121-K124 PolarHBondContact N-O 2.86Å; F121-K124 PolarHBondContact O-N 2.92Å; A122-K124 PolarHBondContact O-N 2.88Å
125Q97.5Very high97.2Very high90 Ų9062 Ų6242%0.42135%0.351SS..EExtended strand (participates in β ladder)trans-70.5133.3165.5-177.4-177.7-55.200108.7R118R118-Q125 HydrophobicContact CG-CG 3.89Å
126L98.3Very high97.4Very high4 Ų463 Ų632%0.02136%0.356CS..PPolyproline II helixtrans-82.1148.6178.2-54.6-173.6000111.1I99 L119 F121 Y135 I137 L143I99-L126 HydrophobicContact CD1-CB 4.06Å; I99-L126 HydrophobicContact CD1-CD1 3.68Å; I99-L126 HydrophobicContact CD1-CG 4.41Å; I99-L126 HydrophobicContact CG1-CB 3.95Å; I99-L126 HydrophobicContact CG1-CD1 4.49Å; I99-L126 HydrophobicContact CG2-CB 3.84Å; L119-L126 HydrophobicContact CB-CB 4.25Å; L119-L126 HydrophobicContact CB-CD1 3.99Å; L119-L126 HydrophobicContact CB-CG 4.3Å; L119-L126 PolarHBondContact O-N 2.71Å; F121-L126 HydrophobicContact CB-CD1 4.18Å; F121-L126 HydrophobicContact CB-CD2 3.97Å; F121-L126 HydrophobicContact CB-CG 4.36Å; L126-Y135 HydrophobicContact CB-CE2 4.24Å; L126-Y135 HydrophobicContact CD2-CD1 3.62Å; L126-Y135 HydrophobicContact CD2-CD2 3.74Å; L126-Y135 HydrophobicContact CD2-CE1 3.61Å; L126-Y135 HydrophobicContact CD2-CE2 3.72Å; L126-Y135 HydrophobicContact CD2-CG 3.68Å; L126-I137 HydrophobicContact CD1-CD1 3.92Å; L126-L143 HydrophobicContact CD1-CD2 3.67Å; L126-L143 HydrophobicContact CD1-CG 4.23Å
127E98.2Very high97.6Very high103 Ų10360.6 Ų60.648%0.48135%0.345SS..  trans-109.7134.1-176.1-68.1175.2176.600109.9I99 G129 R130 Y135I99-E127 VanDerWaalsContact CB-O 3.26Å; I99-E127 WeakPolarHBondContact CB-O 3.23Å; I99-E127 VanDerWaalsContact CG1-O 3.23Å; I99-E127 WeakPolarHBondContact CG1-O 3.28Å; E127-G129 VanDerWaalsContact C-N 3.31Å; E127-G129 PolarHBondContact O-N 2.97Å; E127-R130 HydrophobicContact CB-CG 4.35Å; E127-R130 PolarHBondContact O-N 2.71Å; E127-R130 VanDerWaalsContact O-N 3.11Å; E127-R130 IonicContact OE2-CZ 2.85Å; E127-R130 IonicContact OE2-NE 3.2Å; E127-R130 PolarHBondContact OE2-NE 2.81Å; E127-R130 IonicContact OE2-NH2 2.66Å; E127-Y135 PolarHBondContact N-OH 2.86Å; E127-Y135 VanDerWaalsContact N-OH 3.09Å
128D97.7Very high97.6Very high67 Ų6765.8 Ų65.836%0.35837%0.369SS..THydrogen-bonded Turntrans-57.7-39.7-169.8-68.6-15.9000113.4I99 E100 K103 R130I99-D128 PolarHBondContact N-O 3.17Å; E100-D128 HydrophobicContact CB-CB 4.22Å; E100-D128 PolarHBondContact N-O 2.72Å; K103-D128 WeakPolarHBondContact CD-OD1 3.47Å; K103-D128 WeakPolarHBondContact CE-OD1 3.46Å; K103-D128 VanDerWaalsContact NZ-CG 3.35Å; K103-D128 IonicContact NZ-OD1 3.53Å; K103-D128 PolarHBondContact NZ-OD1 2.9Å; K103-D128 IonicContact NZ-OD2 2.68Å; K103-D128 PolarHBondContact NZ-OD2 3.02Å; D128-R130 VanDerWaalsContact C-N 3.3Å; D128-R130 PolarHBondContact O-N 2.68Å
129G97Very high97.4Very high75 Ų7567 Ų6777%0.77338%0.377SS*.THydrogen-bonded Turntrans-80.61.9-178.600000115.9E127E127-G129 VanDerWaalsContact C-N 3.31Å; E127-G129 PolarHBondContact O-N 2.97Å
130R98.1Very high97.3Very high109 Ų10972.9 Ų72.941%0.41141%0.405SS..SBendtrans-100.4158.5175.6-70.5-170.9-169.5-141.4-5.4110.9T98 I99 E127 D128 D134 Y135T98-R130 CarbonylContact C-O 3.59Å; T98-R130 VanDerWaalsContact CA-O 3.25Å; T98-R130 WeakPolarHBondContact CA-O 3.32Å; I99-R130 WeakPolarHBondContact CG1-O 3.48Å; I99-R130 PolarHBondContact N-O 2.83Å; E127-R130 HydrophobicContact CB-CG 4.35Å; E127-R130 PolarHBondContact O-N 2.71Å; E127-R130 VanDerWaalsContact O-N 3.11Å; E127-R130 IonicContact OE2-CZ 2.85Å; E127-R130 IonicContact OE2-NE 3.2Å; E127-R130 PolarHBondContact OE2-NE 2.81Å; E127-R130 IonicContact OE2-NH2 2.66Å; D128-R130 VanDerWaalsContact C-N 3.3Å; D128-R130 PolarHBondContact O-N 2.68Å; R130-D134 HydrophobicContact CB-CB 4.24Å; R130-Y135 HydrophobicContact CB-CD2 4.32Å; R130-Y135 HydrophobicContact CB-CE2 3.6Å; R130-Y135 WeakPolarHBondContact CD-OH 3.47Å; R130-Y135 HydrophobicContact CG-CE2 4.32Å
131T98Very high97.3Very high32 Ų3271.8 Ų71.820%0.19640%0.401CS..BIsolated β-bridgetrans-92.4166.1177.8660000112.3S96 D97 S133 D134 Y135S96-T131 WeakPolarHBondContact O-CG2 3.41Å; D97-T131 CarbonylContact O-C 3.58Å; D97-T131 VanDerWaalsContact O-CA 3.24Å; D97-T131 WeakPolarHBondContact O-CA 2.98Å; T131-S133 PolarHBondContact O-N 2.83Å; T131-D134 PolarHBondContact N-OD2 2.82Å; T131-D134 PolarHBondContact O-N 3.01Å; T131-D134 PolarHBondContact OG1-N 3.25Å; T131-D134 VanDerWaalsContact OG1-N 3.13Å; T131-D134 PolarHBondContact OG1-OD2 3Å; T131-Y135 WeakPolarHBondContact O-CD2 3.39Å
132L98.2Very high97.3Very high0 Ų071.9 Ų71.90%041%0.405CS..THydrogen-bonded Turntrans-58.4-39.6169.1-70.3-175.4000111.8M77 I79 V93 P95 D97 I99 V102 D134 Y135 N136 I137M77-L132 HydrophobicContact CE-CD1 4.47Å; I79-L132 HydrophobicContact CD1-CD1 4.17Å; I79-L132 HydrophobicContact CD1-CD2 4.32Å; V93-L132 HydrophobicContact CB-CD1 3.6Å; V93-L132 HydrophobicContact CG1-CD1 4.13Å; V93-L132 HydrophobicContact CG2-CD1 3.46Å; V93-L132 VanDerWaalsContact CG2-CD1 3.46Å; P95-L132 PolarHBondContact O-N 2.92Å; D97-L132 HydrophobicContact CB-CD1 4.35Å; D97-L132 PolarHBondContact O-N 3.37Å; I99-L132 HydrophobicContact CD1-CD2 3.93Å; V102-L132 HydrophobicContact CG2-CD1 4.09Å; V102-L132 HydrophobicContact CG2-CD2 3.93Å; V102-L132 HydrophobicContact CG2-CG 4.05Å; L132-D134 PolarHBondContact O-N 2.85Å; L132-Y135 PolarHBondContact O-N 2.91Å; L132-N136 PolarHBondContact O-N 2.84Å; L132-I137 HydrophobicContact CB-CB 4.18Å; L132-I137 HydrophobicContact CD2-CB 4.12Å; L132-I137 HydrophobicContact CD2-CD1 3.62Å; L132-I137 HydrophobicContact CD2-CG1 4.47Å; L132-I137 HydrophobicContact CD2-CG2 4.02Å; L132-I137 WeakPolarHBondContact O-CB 3.39Å; L132-I137 PolarHBondContact O-N 2.79Å
133S97.6Very high97.4Very high58 Ų5867.7 Ų67.741%0.40637%0.371SS..G310 helixtrans-62-39177.4-168.40000112.6P95 T131 Y135 N136P95-S133 VanDerWaalsContact O-CB 3.31Å; P95-S133 WeakPolarHBondContact O-CB 3.38Å; P95-S133 PolarHBondContact O-N 3.16Å; T131-S133 PolarHBondContact O-N 2.83Å; S133-Y135 PolarHBondContact O-N 3.12Å; S133-Y135 VanDerWaalsContact O-N 3.1Å; S133-N136 WeakPolarHBondContact O-CA 3.41Å; S133-N136 PolarHBondContact O-N 3.23Å
134D98.3Very high97.6Very high90 Ų9068.5 Ų68.548%0.48135%0.353SS..G310 helixtrans-60.1-25.1177.7-65.3-39.5000113.1R130 T131 L132R130-D134 HydrophobicContact CB-CB 4.24Å; T131-D134 PolarHBondContact N-OD2 2.82Å; T131-D134 PolarHBondContact O-N 3.01Å; T131-D134 PolarHBondContact OG1-N 3.25Å; T131-D134 VanDerWaalsContact OG1-N 3.13Å; T131-D134 PolarHBondContact OG1-OD2 3Å; L132-D134 PolarHBondContact O-N 2.85Å
135Y98.3Very high97.6Very high35 Ų3562.1 Ų62.114%0.13733%0.325CS..G310 helixtrans-98.74.9175.8-70.9-73000113.5I99 L126 E127 R130 T131 L132 S133 I137I99-Y135 HydrophobicContact CD1-CD2 4.31Å; I99-Y135 HydrophobicContact CD1-CE2 4.42Å; I99-Y135 HydrophobicContact CG1-CD2 4.46Å; I99-Y135 HydrophobicContact CG1-CE2 4.11Å; L126-Y135 HydrophobicContact CB-CE2 4.24Å; L126-Y135 HydrophobicContact CD2-CD1 3.62Å; L126-Y135 HydrophobicContact CD2-CD2 3.74Å; L126-Y135 HydrophobicContact CD2-CE1 3.61Å; L126-Y135 HydrophobicContact CD2-CE2 3.72Å; L126-Y135 HydrophobicContact CD2-CG 3.68Å; E127-Y135 PolarHBondContact N-OH 2.86Å; E127-Y135 VanDerWaalsContact N-OH 3.09Å; R130-Y135 HydrophobicContact CB-CD2 4.32Å; R130-Y135 HydrophobicContact CB-CE2 3.6Å; R130-Y135 WeakPolarHBondContact CD-OH 3.47Å; R130-Y135 HydrophobicContact CG-CE2 4.32Å; T131-Y135 WeakPolarHBondContact O-CD2 3.39Å; L132-Y135 PolarHBondContact O-N 2.91Å; S133-Y135 PolarHBondContact O-N 3.12Å; S133-Y135 VanDerWaalsContact O-N 3.1Å; Y135-I137 PolarHBondContact O-N 3.43Å
136N97.3Very high97.5Very high120 Ų12059.6 Ų59.664%0.64232%0.316SS*.THydrogen-bonded Turntrans51.434.4-171-63.8-60000112.6L132 S133 Q138L132-N136 PolarHBondContact O-N 2.84Å; S133-N136 WeakPolarHBondContact O-CA 3.41Å; S133-N136 PolarHBondContact O-N 3.23Å; N136-Q138 PolarHBondContact O-N 3.21Å
137I98.1Very high97.2Very high1 Ų163.6 Ų63.61%0.00534%0.337CS..  trans-73.9118.5174-65.7166.2000106.8M77 I79 F121 L126 L132 Y135 L143M77-I137 WeakPolarHBondContact CE-O 3.41Å; I79-I137 HydrophobicContact CG2-CG2 3.95Å; F121-I137 HydrophobicContact CB-CD1 4.35Å; F121-I137 HydrophobicContact CD1-CD1 4.07Å; F121-I137 HydrophobicContact CD1-CG1 3.55Å; F121-I137 HydrophobicContact CD2-CG1 4.42Å; F121-I137 HydrophobicContact CE1-CG1 3.63Å; F121-I137 HydrophobicContact CE2-CG1 4.49Å; F121-I137 HydrophobicContact CG-CD1 4.17Å; F121-I137 HydrophobicContact CG-CG1 3.97Å; F121-I137 HydrophobicContact CZ-CG1 4.11Å; L126-I137 HydrophobicContact CD1-CD1 3.92Å; L132-I137 HydrophobicContact CB-CB 4.18Å; L132-I137 HydrophobicContact CD2-CB 4.12Å; L132-I137 HydrophobicContact CD2-CD1 3.62Å; L132-I137 HydrophobicContact CD2-CG1 4.47Å; L132-I137 HydrophobicContact CD2-CG2 4.02Å; L132-I137 WeakPolarHBondContact O-CB 3.39Å; L132-I137 PolarHBondContact O-N 2.79Å; Y135-I137 PolarHBondContact O-N 3.43Å; I137-L143 HydrophobicContact CD1-CD1 4.18Å; I137-L143 HydrophobicContact CD1-CD2 4.3Å; I137-L143 HydrophobicContact CD1-CG 4.39Å; I137-L143 HydrophobicContact CG2-CD1 3.93Å
138Q96.1Very high96.6Very high108 Ų10863.5 Ų63.551%0.50533%0.332SS..  trans-106.2171.9-178-61.8-58-3700111.1M77 N136 E140 S141M77-Q138 VanDerWaalsContact CE-C 3.43Å; N136-Q138 PolarHBondContact O-N 3.21Å; Q138-E140 PolarHBondContact O-N 3.05Å; Q138-S141 PolarHBondContact N-OG 2.77Å; Q138-S141 WeakPolarHBondContact O-CB 3.44Å; Q138-S141 PolarHBondContact O-N 3Å; Q138-S141 PolarHBondContact O-OG 3.14Å
139K94.3Very high95.3Very high123 Ų12368.3 Ų68.354%0.53536%0.357SS..THydrogen-bonded Turntrans-46.7137.8168.5-179.2174.4177.8179.80110.6M77 S141M77-K139 HydrophobicContact CG-CB 4.1Å; K139-S141 PolarHBondContact O-N 3.36Å
140E96.1Very high93.7Very high124 Ų12475.7 Ų75.758%0.57936%0.362SS*.THydrogen-bonded Turntrans64.98-178.6-67.3164.5-158.900115.5Q78 F80 Q138Q78-E140 PolarHBondContact O-N 2.7Å; F80-E140 HydrophobicContact CE2-CB 3.95Å; F80-E140 HydrophobicContact CE2-CG 3.97Å; F80-E140 HydrophobicContact CZ-CG 4.47Å; Q138-E140 PolarHBondContact O-N 3.05Å
141S98.3Very high91.6Very high21 Ų2174 Ų7415%0.14738%0.378CS..  trans-61146.8170.1-65.30000111.4F80 Q138 K139F80-S141 PolarHBondContact N-O 2.89Å; Q138-S141 PolarHBondContact N-OG 2.77Å; Q138-S141 WeakPolarHBondContact O-CB 3.44Å; Q138-S141 PolarHBondContact O-N 3Å; Q138-S141 PolarHBondContact O-OG 3.14Å; K139-S141 PolarHBondContact O-N 3.36Å
142T98.4Very high89.7Confident44 Ų4475.1 Ų75.127%0.2740%0.396SS..EExtended strand (participates in β ladder)trans-112.5118.2177.5-59.60000111.3F80 K82 F121F80-T142 HydrophobicContact CB-CG2 4.31Å; F80-T142 CarbonylContact O-C 3.56Å; F80-T142 VanDerWaalsContact O-CA 3.31Å; F80-T142 WeakPolarHBondContact O-CA 3.07Å; K82-T142 HydrophobicContact CB-CG2 4.26Å; K82-T142 HydrophobicContact CD-CG2 3.79Å; K82-T142 HydrophobicContact CG-CG2 3.71Å; F121-T142 WeakPolarHBondContact CD2-O 3.41Å
143L98.5Very high87.6Confident0 Ų083.4 Ų83.40%044%0.437CS..EExtended strand (participates in β ladder)trans-93155.8171.2-7361.9000109.5I79 F80 V81 K82 L119 F121 L126 I137I79-L143 HydrophobicContact CD1-CD1 4.07Å; I79-L143 HydrophobicContact CD1-CD2 4.21Å; F80-L143 PolarHBondContact O-N 2.79Å; V81-L143 CarbonylContact C-O 3.51Å; V81-L143 WeakPolarHBondContact CA-O 3.47Å; V81-L143 HydrophobicContact CG2-CB 4.38Å; K82-L143 PolarHBondContact N-O 3.44Å; L119-L143 HydrophobicContact CD1-CD2 4.38Å; F121-L143 HydrophobicContact CB-CG 4.34Å; F121-L143 HydrophobicContact CD2-CD1 4.18Å; F121-L143 HydrophobicContact CD2-CG 4.43Å; L126-L143 HydrophobicContact CD1-CD2 3.67Å; L126-L143 HydrophobicContact CD1-CG 4.23Å; I137-L143 HydrophobicContact CD1-CD1 4.18Å; I137-L143 HydrophobicContact CD1-CD2 4.3Å; I137-L143 HydrophobicContact CD1-CG 4.39Å; I137-L143 HydrophobicContact CG2-CD1 3.93Å
144H98.4Very high85.8Confident96 Ų9687.3 Ų87.344%0.44445%0.449SS..EExtended strand (participates in β ladder)trans-109.3130.5173.3-64.276.3000109.8K82 L119 I120K82-H144 WeakPolarHBondContact O-CA 3.38Å; L119-H144 CarbonylContact C-O 3.6Å; L119-H144 WeakPolarHBondContact CA-O 3.27Å; I120-H144 HydrophobicContact CB-CB 4.33Å; I120-H144 PolarHBondContact N-O 3.4Å; I120-H144 PolarHBondContact O-N 2.79Å
145L97.7Very high83.8Confident4 Ų489.2 Ų89.22%0.02146%0.458CS..EExtended strand (participates in β ladder)trans-102.1121.1176174.863.9000110.3V81 K82 T83 I106 I112 Q117 L119V81-L145 HydrophobicContact CG1-CB 3.57Å; V81-L145 HydrophobicContact CG1-CD2 4.43Å; K82-L145 PolarHBondContact O-N 2.87Å; T83-L145 HydrophobicContact CG2-CD2 4.5Å; I106-L145 HydrophobicContact CG2-CD2 3.97Å; I112-L145 HydrophobicContact CD1-CD2 3.98Å; Q117-L145 HydrophobicContact CB-CD1 3.76Å; Q117-L145 HydrophobicContact CG-CD1 3.95Å; L119-L145 HydrophobicContact CD2-CB 4.12Å; L119-L145 HydrophobicContact CD2-CD1 3.82Å
146V94.9Very high82.3Confident37 Ų3793.7 Ų93.722%0.22448%0.478CS..EExtended strand (participates in β ladder)trans-114.3133.9172.4179.90000108.5L84 R118 I120L84-V146 HydrophobicContact CD1-CG1 4.28Å; L84-V146 HydrophobicContact CD2-CG2 4.11Å; R118-V146 WeakPolarHBondContact CA-O 3.13Å; R118-V146 HydrophobicContact CB-CB 4.29Å; R118-V146 WeakPolarHBondContact CB-O 3.34Å; R118-V146 PolarHBondContact N-O 3.03Å; R118-V146 PolarHBondContact O-N 3.25Å; I120-V146 HydrophobicContact CD1-CB 4.47Å; I120-V146 HydrophobicContact CD1-CG2 3.68Å
147L92.2Very high80.4Confident88 Ų8893.7 Ų93.746%0.46148%0.482SS..EExtended strand (participates in β ladder)trans-84.5138.9176.7-60.6-178.3000110.8I112I112-L147 HydrophobicContact CD1-CD2 4.11Å; I112-L147 HydrophobicContact CG2-CD2 3.61Å
148R85.3Confident78.1Confident102 Ų102102 Ų10239%0.38552%0.518SS..  trans-84129.9169.3-64.6178.2176175.5-3.8109.3D115 Q116 R118 R150D115-R148 WeakPolarHBondContact O-CD 3.42Å; D115-R148 PolarHBondContact O-NH1 2.8Å; Q116-R148 PolarHBondContact O-N 3.17Å; R118-R148 HydrophobicContact CB-CG 4.47Å; R148-R150 PolarHBondContact O-N 3Å
149L70.9Confident75.8Confident167 Ų167103 Ų10387%0.87453%0.532SS*.  trans-87.460.1-179.7-65.5172.7000111.8
150R62.4Low74.5Confident230 Ų230112.5 Ų112.587%0.86857%0.565SS**  trans-150.4116175.6-65.6-169.2-176.7177.21.2113.3R148R148-R150 PolarHBondContact O-N 3Å
151G55.2Low73.4Confident73 Ų73112 Ų11275%0.75356%0.564SS**SBendtrans91.492.8143.500000118.7
152G56.7Low72.1Confident57 Ų57116.7 Ų116.759%0.58859%0.586SS**  trans94.7108.7151.900000115.7Q154G152-Q154 PolarHBondContact O-N 3.21Å; G152-Q154 VanDerWaalsContact O-N 3.11Å
153M55Low70.6Confident174 Ų174120.8 Ų120.886%0.85760%0.603SS**  trans-63.4105.2166.7-178-179.7-176.500109.1I155M153-I155 HydrophobicContact CE-CD1 3.99Å; M153-I155 HydrophobicContact CE-CG1 4.06Å; M153-I155 HydrophobicContact CG-CG1 4.33Å
154Q58.5Low69Low139 Ų139127.9 Ų127.965%0.6564%0.639SS**  trans-98.8113.8169.4-71.3-174.5-3.900108.9G152 F156G152-Q154 PolarHBondContact O-N 3.21Å; G152-Q154 VanDerWaalsContact O-N 3.11Å; Q154-F156 HydrophobicContact CB-CD2 4.31Å; Q154-F156 HydrophobicContact CB-CE2 3.6Å; Q154-F156 HydrophobicContact CB-CZ 3.97Å; Q154-F156 VanDerWaalsContact OE1-CZ 3.22Å
155I56.9Low67.1Low130 Ų130129.9 Ų129.967%0.66765%0.651SS**  trans-86.9114.8174.3-60175.3000107.2M153 V157M153-I155 HydrophobicContact CE-CD1 3.99Å; M153-I155 HydrophobicContact CE-CG1 4.06Å; M153-I155 HydrophobicContact CG-CG1 4.33Å; I155-V157 HydrophobicContact CG2-CG2 4.49Å
156F66.1Low65.1Low129 Ų129138.3 Ų138.357%0.56669%0.693SS**  trans-98.4115.5173.9-66.8-83.6000109.9Q154Q154-F156 HydrophobicContact CB-CD2 4.31Å; Q154-F156 HydrophobicContact CB-CE2 3.6Å; Q154-F156 HydrophobicContact CB-CZ 3.97Å; Q154-F156 VanDerWaalsContact OE1-CZ 3.22Å
157V58.1Low63Low120 Ų120145.5 Ų145.573%0.72773%0.727SS**  trans-89.1110.9170.7-176.30000107.5I155 T159I155-V157 HydrophobicContact CG2-CG2 4.49Å; V157-T159 PolarHBondContact O-N 3.49Å; V157-T159 VanDerWaalsContact O-N 3.17Å
158K49.6Very low60.7Low176 Ų176149.9 Ų149.977%0.76575%0.747SS**  trans-72.3102.1168.9-83.7-175.8174.8178.20108.6
159T48.7Very low58.7Low130 Ų130153.9 Ų153.980%0.79878%0.777SS**  trans-76.7130163.235.20000109.4V157V157-T159 PolarHBondContact O-N 3.49Å; V157-T159 VanDerWaalsContact O-N 3.17Å
160R66Low57.6Low322 Ų322152.7 Ų152.7100%1.21577%0.768SS**  trans-75.90172.8-71.6-174.4-179.7-171.60.5111.1

Retrieved 160 of 160 residues in 190.3 ms (Link to these results)

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