A0A077Z0U4_TRITR Loading...

Ubiquitin-ribosomal protein eL40 fusion protein

Component of the 60S subunit of the ribosome.

AlphaFold DB , UniProt , Accession A0A077Z0U4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 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
1M93.9Very high94.6Very high65 Ų6566.6 Ų66.632%0.3236%0.361SS..  0155.8066.6178-177.600110.2I3 V17 P19 L56 I61 K63M1-I3 HydrophobicContact CE-CG2 4.34Å; M1-V17 HydrophobicContact CE-CG2 3.84Å; M1-V17 HydrophobicContact CG-CG2 3.87Å; M1-V17 VanDerWaalsContact CG-O 3.24Å; M1-V17 WeakPolarHBondContact CG-O 3.47Å; M1-V17 PolarHBondContact N-O 3.47Å; M1-V17 PolarHBondContact O-N 3.42Å; M1-P19 HydrophobicContact CE-CB 4.38Å; M1-P19 HydrophobicContact CE-CG 4.29Å; M1-P19 HydrophobicContact SD-CG 4.04Å; M1-L56 HydrophobicContact CE-CB 4.15Å; M1-L56 HydrophobicContact CE-CD1 3.79Å; M1-I61 WeakPolarHBondContact CE-O 3.38Å; M1-K63 HydrophobicContact CB-CB 4.3Å
2Q94.8Very high94.7Very high74 Ų7466.8 Ų66.835%0.34637%0.366SS..EExtended strand (participates in β ladder)trans-103.4135.4177.5-167.3174.53300110.2L15 E64Q2-L15 WeakPolarHBondContact CA-O 3.42Å; Q2-E64 PolarHBondContact O-N 2.78Å
3I97Very high94.8Very high0 Ų062.4 Ų62.40%034%0.342CS..EExtended strand (participates in β ladder)trans-128161.7174.559.8168000109.9M1 L15 V17 V26 I61 L67M1-I3 HydrophobicContact CE-CG2 4.34Å; I3-L15 HydrophobicContact CD1-CB 4.36Å; I3-L15 HydrophobicContact CD1-CD1 4.44Å; I3-L15 HydrophobicContact CG1-CB 3.92Å; I3-L15 PolarHBondContact N-O 2.94Å; I3-L15 PolarHBondContact O-N 3.13Å; I3-V17 HydrophobicContact CB-CG2 4.44Å; I3-V17 HydrophobicContact CD1-CB 4.47Å; I3-V17 HydrophobicContact CD1-CG1 3.94Å; I3-V17 HydrophobicContact CD1-CG2 3.73Å; I3-V17 HydrophobicContact CG1-CG1 4.27Å; I3-V17 HydrophobicContact CG1-CG2 3.73Å; I3-V17 HydrophobicContact CG2-CG2 3.92Å; I3-V26 HydrophobicContact CD1-CG1 4.35Å; I3-I61 HydrophobicContact CG2-CG2 4.1Å; I3-L67 HydrophobicContact CB-CD1 4.44Å; I3-L67 HydrophobicContact CD1-CD1 3.49Å; I3-L67 VanDerWaalsContact CD1-CD1 3.49Å; I3-L67 HydrophobicContact CG1-CD1 4.41Å
4F97.3Very high94.9Very high56 Ų5662.1 Ų62.125%0.24634%0.343CS..EExtended strand (participates in β ladder)trans-113.7139.1178.2-59.5-77.6000110.5T12 I13 T14 E64 S65 T66 L67F4-T12 HydrophobicContact CB-CG2 4.03Å; F4-T12 HydrophobicContact CD1-CG2 3.91Å; F4-T12 HydrophobicContact CG-CG2 4.36Å; F4-I13 CarbonylContact C-O 3.57Å; F4-I13 WeakPolarHBondContact CA-O 3.45Å; F4-T14 HydrophobicContact CD1-CG2 3.7Å; F4-T14 HydrophobicContact CE1-CG2 3.58Å; F4-E64 HydrophobicContact CE2-CB 4.02Å; F4-E64 HydrophobicContact CE2-CG 3.96Å; F4-S65 PolarHBondContact N-O 3.18Å; F4-T66 HydrophobicContact CB-CG2 3.91Å; F4-T66 CarbonylContact O-C 3.54Å; F4-T66 WeakPolarHBondContact O-CA 3.11Å; F4-L67 PolarHBondContact O-N 2.89Å
5V97.2Very high95Very high0 Ų058.1 Ų58.10%032%0.32CS..EExtended strand (participates in β ladder)trans-119.6117173.2-177.60000108.4T12 I13 L15 I30 L43 L67 L69V5-T12 CarbonylContact O-C 3.57Å; V5-T12 WeakPolarHBondContact O-CA 3.49Å; V5-I13 HydrophobicContact CB-CB 4.35Å; V5-I13 PolarHBondContact N-O 2.94Å; V5-I13 PolarHBondContact O-N 2.9Å; V5-L15 HydrophobicContact CG2-CD1 3.57Å; V5-L15 HydrophobicContact CG2-CG 4.3Å; V5-I30 HydrophobicContact CG1-CD1 4.29Å; V5-I30 HydrophobicContact CG2-CD1 4.21Å; V5-L43 HydrophobicContact CG1-CD2 4.28Å; V5-L67 CarbonylContact C-O 3.54Å; V5-L67 WeakPolarHBondContact CA-O 3.45Å; V5-L67 HydrophobicContact CG2-CB 4.25Å; V5-L67 HydrophobicContact CG2-CD1 4.46Å; V5-L69 HydrophobicContact CG1-CB 3.54Å; V5-L69 HydrophobicContact CG1-CD2 4.49Å
6K97.2Very high95Very high91 Ų9164.1 Ų64.140%0.39635%0.345SS..EExtended strand (participates in β ladder)trans-96.1128175-78.3-174.3177.5-179.80110.7K11 T12 T66 L67 H68 L69K6-K11 WeakPolarHBondContact CA-O 3.46Å; K6-T12 HydrophobicContact CG-CG2 4.33Å; K6-T66 HydrophobicContact CD-CG2 3.92Å; K6-T66 HydrophobicContact CG-CG2 3.91Å; K6-L67 PolarHBondContact N-O 3.17Å; K6-H68 CarbonylContact O-C 3.57Å; K6-H68 WeakPolarHBondContact O-CA 3.34Å; K6-L69 PolarHBondContact O-N 3.39Å
7T94.5Very high95.1Very high23 Ų2360.6 Ų60.614%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-81.9164.217167.40000110.7T9 G10 K11 I13 L69T7-T9 PolarHBondContact O-N 3.36Å; T7-T9 PolarHBondContact OG1-N 2.91Å; T7-T9 PolarHBondContact OG1-OG1 3.26Å; T7-G10 PolarHBondContact O-N 3.25Å; T7-K11 HydrophobicContact CG2-CB 4.35Å; T7-K11 PolarHBondContact N-O 2.72Å; T7-K11 WeakPolarHBondContact OG1-CB 3.4Å; T7-K11 PolarHBondContact OG1-N 3.45Å; T7-K11 PolarHBondContact OG1-O 3.35Å; T7-I13 HydrophobicContact CG2-CD1 4.1Å; T7-L69 HydrophobicContact CG2-CD2 4.35Å
8L91.4Very high95.1Very high137 Ų13764.3 Ų64.372%0.71734%0.342SS*.THydrogen-bonded Turntrans-59.3-22.7171.6-68.8-179.3000113.9G10 V70L8-G10 VanDerWaalsContact C-N 3.26Å; L8-G10 PolarHBondContact O-N 3.45Å; L8-V70 HydrophobicContact CD1-CG1 3.98Å; L8-V70 HydrophobicContact CD1-CG2 4.45Å; L8-V70 HydrophobicContact CD2-CG2 4.02Å; L8-V70 HydrophobicContact CG-CG2 4.22Å
9T91Very high95Very high129 Ų12964 Ų6479%0.79134%0.344SS*.THydrogen-bonded Turntrans-83.3-0.2176.855.80000113.2T7 K11T7-T9 PolarHBondContact O-N 3.36Å; T7-T9 PolarHBondContact OG1-N 2.91Å; T7-T9 PolarHBondContact OG1-OG1 3.26Å; T9-K11 VanDerWaalsContact C-N 3.34Å
10G91.5Very high95Very high55 Ų5565.5 Ų65.557%0.56736%0.358SS*.SBendtrans85.2-0-178.900000114.8T7 L8T7-G10 PolarHBondContact O-N 3.25Å; L8-G10 VanDerWaalsContact C-N 3.26Å; L8-G10 PolarHBondContact O-N 3.45Å
11K94.7Very high95Very high103 Ų10363.3 Ų63.345%0.44835%0.346SS..  trans-68.2134.1173.9-173-178.1175.1-170.70109.4K6 T7 T9 E34K6-K11 WeakPolarHBondContact CA-O 3.46Å; T7-K11 HydrophobicContact CG2-CB 4.35Å; T7-K11 PolarHBondContact N-O 2.72Å; T7-K11 WeakPolarHBondContact OG1-CB 3.4Å; T7-K11 PolarHBondContact OG1-N 3.45Å; T7-K11 PolarHBondContact OG1-O 3.35Å; T9-K11 VanDerWaalsContact C-N 3.34Å; K11-E34 WeakPolarHBondContact CE-OE1 3.35Å; K11-E34 IonicContact NZ-OE1 2.66Å; K11-E34 PolarHBondContact NZ-OE1 3.23Å; K11-E34 IonicContact NZ-OE2 2.79Å; K11-E34 PolarHBondContact NZ-OE2 3.47Å
12T96.3Very high95.1Very high68 Ų6862.7 Ų62.742%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-108.1128.2175.8-55.50000109.6F4 V5 K6F4-T12 HydrophobicContact CB-CG2 4.03Å; F4-T12 HydrophobicContact CD1-CG2 3.91Å; F4-T12 HydrophobicContact CG-CG2 4.36Å; V5-T12 CarbonylContact O-C 3.57Å; V5-T12 WeakPolarHBondContact O-CA 3.49Å; K6-T12 HydrophobicContact CG-CG2 4.33Å
13I95.5Very high95.2Very high10 Ų1059.2 Ų59.25%0.05133%0.331CS..EExtended strand (participates in β ladder)trans-111.9131.7178.7-55.4155.1000107.6F4 V5 T7 L15 K33 E34F4-I13 CarbonylContact C-O 3.57Å; F4-I13 WeakPolarHBondContact CA-O 3.45Å; V5-I13 HydrophobicContact CB-CB 4.35Å; V5-I13 PolarHBondContact N-O 2.94Å; V5-I13 PolarHBondContact O-N 2.9Å; T7-I13 HydrophobicContact CG2-CD1 4.1Å; I13-L15 HydrophobicContact CG2-CD2 4.25Å; I13-L15 HydrophobicContact CG2-CG 4.48Å; I13-K33 HydrophobicContact CG2-CD 3.93Å; I13-E34 HydrophobicContact CD1-CG 3.38Å; I13-E34 HydrophobicContact CG1-CG 4.28Å
14T96.5Very high95.1Very high58 Ų5865.3 Ų65.336%0.35636%0.36SS..EExtended strand (participates in β ladder)trans-91.8134.8173.549.30000110.2F4 K33F4-T14 HydrophobicContact CD1-CG2 3.7Å; F4-T14 HydrophobicContact CE1-CG2 3.58Å; T14-K33 PolarHBondContact O-NZ 3.47Å
15L96.2Very high95Very high2 Ų265.8 Ų65.81%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-127.7139.1175.4-62173.4000110.7Q2 I3 V5 I13 V17 V26 K29 I30 K33Q2-L15 WeakPolarHBondContact CA-O 3.42Å; I3-L15 HydrophobicContact CD1-CB 4.36Å; I3-L15 HydrophobicContact CD1-CD1 4.44Å; I3-L15 HydrophobicContact CG1-CB 3.92Å; I3-L15 PolarHBondContact N-O 2.94Å; I3-L15 PolarHBondContact O-N 3.13Å; V5-L15 HydrophobicContact CG2-CD1 3.57Å; V5-L15 HydrophobicContact CG2-CG 4.3Å; I13-L15 HydrophobicContact CG2-CD2 4.25Å; I13-L15 HydrophobicContact CG2-CG 4.48Å; L15-V17 HydrophobicContact CB-CG1 4.16Å; L15-V26 HydrophobicContact CD1-CG1 4.08Å; L15-K29 HydrophobicContact CD2-CB 4.21Å; L15-I30 HydrophobicContact CD1-CD1 4.09Å; L15-I30 HydrophobicContact CD1-CG1 3.58Å; L15-K33 HydrophobicContact CD2-CD 3.87Å
16E95.8Very high95Very high154 Ų15465.9 Ų65.972%0.7237%0.365SS*.EExtended strand (participates in β ladder)trans-94.7121.6167.3-68.8-169.2164.600109.5K29E16-K29 PolarHBondContact O-NZ 3.02Å
17V95.9Very high94.9Very high5 Ų561.7 Ų61.73%0.0335%0.347CS..  trans-141.9157.6-172.8-62.70000110.8M1 I3 L15 D21 V26 K29 L56M1-V17 HydrophobicContact CE-CG2 3.84Å; M1-V17 HydrophobicContact CG-CG2 3.87Å; M1-V17 VanDerWaalsContact CG-O 3.24Å; M1-V17 WeakPolarHBondContact CG-O 3.47Å; M1-V17 PolarHBondContact N-O 3.47Å; M1-V17 PolarHBondContact O-N 3.42Å; I3-V17 HydrophobicContact CB-CG2 4.44Å; I3-V17 HydrophobicContact CD1-CB 4.47Å; I3-V17 HydrophobicContact CD1-CG1 3.94Å; I3-V17 HydrophobicContact CD1-CG2 3.73Å; I3-V17 HydrophobicContact CG1-CG1 4.27Å; I3-V17 HydrophobicContact CG1-CG2 3.73Å; I3-V17 HydrophobicContact CG2-CG2 3.92Å; L15-V17 HydrophobicContact CB-CG1 4.16Å; V17-D21 WeakPolarHBondContact CA-OD2 3.38Å; V17-V26 HydrophobicContact CG1-CG2 4.27Å; V17-K29 HydrophobicContact CG1-CD 4.2Å; V17-L56 HydrophobicContact CB-CD1 3.68Å; V17-L56 HydrophobicContact CG1-CD1 4.27Å; V17-L56 HydrophobicContact CG2-CD1 3.46Å; V17-L56 VanDerWaalsContact CG2-CD1 3.46Å
18E95.3Very high95Very high127 Ų12762 Ų6259%0.59335%0.352SS*.  trans-100149.6168.2-67.4-167.217100110.8C20 D21E18-C20 PolarHBondContact O-N 3.28Å; E18-C20 VanDerWaalsContact O-N 3.13Å; E18-D21 PolarHBondContact N-OD2 3.05Å; E18-D21 VanDerWaalsContact O-CB 3.27Å; E18-D21 WeakPolarHBondContact O-CB 3.37Å; E18-D21 PolarHBondContact O-N 2.94Å
19P93.2Very high95.2Very high59 Ų5958.3 Ų58.338%0.38333%0.33SS..THydrogen-bonded Turntrans-57.3-29177.3-21.932.2000113.2M1 D21 S57M1-P19 HydrophobicContact CE-CB 4.38Å; M1-P19 HydrophobicContact CE-CG 4.29Å; M1-P19 HydrophobicContact SD-CG 4.04Å; P19-D21 VanDerWaalsContact C-N 3.32Å; P19-S57 WeakPolarHBondContact O-CB 3.47Å; P19-S57 PolarHBondContact O-N 2.88Å; P19-S57 PolarHBondContact O-OG 3.25Å
20C94.3Very high95.4Very high94 Ų9452.1 Ų52.164%0.63529%0.292SS*.THydrogen-bonded Turntrans-81.8-7.9178.6-53.40000113.1E18 T55E18-C20 PolarHBondContact O-N 3.28Å; E18-C20 VanDerWaalsContact O-N 3.13Å; C20-T55 WeakPolarHBondContact O-CG2 3.4Å
21D95.1Very high95.6Very high20 Ų2053.2 Ų53.211%0.10728%0.283CS..  trans-61128.5178.6-86.1-32.4000109.4V17 E18 P19 N25 V26 K29 T55 L56V17-D21 WeakPolarHBondContact CA-OD2 3.38Å; E18-D21 PolarHBondContact N-OD2 3.05Å; E18-D21 VanDerWaalsContact O-CB 3.27Å; E18-D21 WeakPolarHBondContact O-CB 3.37Å; E18-D21 PolarHBondContact O-N 2.94Å; P19-D21 VanDerWaalsContact C-N 3.32Å; D21-N25 PolarHBondContact OD1-ND2 3.43Å; D21-V26 HydrophobicContact CB-CG2 4.42Å; D21-K29 IonicContact OD2-NZ 3.2Å; D21-K29 PolarHBondContact OD2-NZ 3.16Å; D21-T55 WeakPolarHBondContact O-CA 3.44Å; D21-L56 HydrophobicContact CB-CD1 4.33Å; D21-L56 PolarHBondContact O-N 2.9Å; D21-L56 VanDerWaalsContact O-N 3.07Å
22P96.4Very high95.6Very high52 Ų5254.9 Ų54.934%0.33830%0.296SS..BIsolated β-bridgetrans-67.2152.2169.527.9-31.5000110.2E24 N25 V26 R54P22-E24 PolarHBondContact O-N 3.25Å; P22-N25 HydrophobicContact CG-CB 3.99Å; P22-N25 WeakPolarHBondContact O-CB 3.18Å; P22-N25 PolarHBondContact O-N 3.07Å; P22-V26 PolarHBondContact O-N 3.48Å; P22-R54 WeakPolarHBondContact CA-O 3.34Å
23I96.5Very high95.4Very high0 Ų057.1 Ų57.10%030%0.3CS..Hα-helixtrans-58.6-31.8179.2-64.1-54.2000111.9N25 V26 K27 L43 L50 E51 R54 L56 Y59I23-N25 VanDerWaalsContact C-N 3.31Å; I23-N25 PolarHBondContact O-N 2.77Å; I23-V26 WeakPolarHBondContact O-CB 3.45Å; I23-V26 PolarHBondContact O-N 3.14Å; I23-K27 WeakPolarHBondContact O-CG 3.36Å; I23-K27 PolarHBondContact O-N 3.42Å; I23-L43 HydrophobicContact CG2-CD1 4.32Å; I23-L50 HydrophobicContact CD1-CB 4.18Å; I23-L50 HydrophobicContact CD1-CD1 3.65Å; I23-L50 HydrophobicContact CD1-CG 4.49Å; I23-L50 HydrophobicContact CG1-CB 4.04Å; I23-L50 HydrophobicContact CG1-CD1 4.43Å; I23-L50 HydrophobicContact CG2-CB 3.87Å; I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.14Å; I23-E51 WeakPolarHBondContact CG1-O 3.28Å; I23-R54 WeakPolarHBondContact CG1-O 3.32Å; I23-R54 PolarHBondContact N-O 3.15Å; I23-L56 HydrophobicContact CD1-CD2 3.71Å; I23-L56 HydrophobicContact CD1-CG 4.33Å; I23-Y59 HydrophobicContact CD1-CD2 4.45Å; I23-Y59 HydrophobicContact CG1-CE2 4.22Å
24E96Very high95.2Very high129 Ų12959.4 Ų59.460%0.60331%0.311SS*.Hα-helixtrans-56.7-43.4172.9-172.5170.2-156.200112.3P22 V26 K27 A28 D52P22-E24 PolarHBondContact O-N 3.25Å; E24-V26 VanDerWaalsContact C-N 3.34Å; E24-V26 PolarHBondContact O-N 2.89Å; E24-K27 PolarHBondContact O-N 3.36Å; E24-A28 PolarHBondContact O-N 2.91Å; E24-D52 HydrophobicContact CB-CB 4.29Å
25N95.5Very high95Very high66 Ų6659.4 Ų59.435%0.35332%0.322SS..Hα-helixtrans-67.5-36.4178.4-160.528.4000111.5D21 P22 I23 K27 A28 K29D21-N25 PolarHBondContact OD1-ND2 3.43Å; P22-N25 HydrophobicContact CG-CB 3.99Å; P22-N25 WeakPolarHBondContact O-CB 3.18Å; P22-N25 PolarHBondContact O-N 3.07Å; I23-N25 VanDerWaalsContact C-N 3.31Å; I23-N25 PolarHBondContact O-N 2.77Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.96Å; N25-A28 PolarHBondContact O-N 3.19Å; N25-K29 WeakPolarHBondContact O-CG 3.39Å; N25-K29 PolarHBondContact O-N 2.85Å
26V95.9Very high94.8Very high1 Ų160.8 Ų60.81%0.00633%0.329CS..Hα-helixtrans-63.1-40.7174.6-177.30000111I3 L15 V17 D21 P22 I23 E24 K29 I30 L43 L56I3-V26 HydrophobicContact CD1-CG1 4.35Å; L15-V26 HydrophobicContact CD1-CG1 4.08Å; V17-V26 HydrophobicContact CG1-CG2 4.27Å; D21-V26 HydrophobicContact CB-CG2 4.42Å; P22-V26 PolarHBondContact O-N 3.48Å; I23-V26 WeakPolarHBondContact O-CB 3.45Å; I23-V26 PolarHBondContact O-N 3.14Å; E24-V26 VanDerWaalsContact C-N 3.34Å; E24-V26 PolarHBondContact O-N 2.89Å; V26-K29 PolarHBondContact O-N 3.47Å; V26-I30 HydrophobicContact CG1-CD1 4.4Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 2.99Å; V26-I30 VanDerWaalsContact O-N 3.1Å; V26-L43 HydrophobicContact CB-CD1 4.49Å; V26-L43 HydrophobicContact CG1-CD1 4.01Å; V26-L56 HydrophobicContact CG2-CD1 3.88Å; V26-L56 HydrophobicContact CG2-CD2 4.05Å; V26-L56 HydrophobicContact CG2-CG 4.01Å
27K95.9Very high94.6Very high3 Ų355 Ų551%0.01331%0.305CS..Hα-helixtrans-66.1-38.4175.6-70.1179.6177.3178.70112.8I23 E24 N25 I30 Q31 P38 Q41 L43 D52I23-K27 WeakPolarHBondContact O-CG 3.36Å; I23-K27 PolarHBondContact O-N 3.42Å; E24-K27 PolarHBondContact O-N 3.36Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.96Å; K27-I30 WeakPolarHBondContact O-CB 3.38Å; K27-I30 PolarHBondContact O-N 3.05Å; K27-Q31 PolarHBondContact O-N 3.29Å; K27-P38 HydrophobicContact CB-CB 3.96Å; K27-P38 HydrophobicContact CD-CB 4.35Å; K27-Q41 VanDerWaalsContact CA-OE1 3.3Å; K27-Q41 HydrophobicContact CD-CB 4.34Å; K27-Q41 HydrophobicContact CG-CB 4.34Å; K27-Q41 PolarHBondContact O-NE2 2.79Å; K27-Q41 PolarHBondContact O-OE1 3.21Å; K27-L43 HydrophobicContact CG-CD1 3.89Å; K27-L43 HydrophobicContact CG-CG 4.48Å; K27-D52 WeakPolarHBondContact CD-OD1 3.36Å; K27-D52 WeakPolarHBondContact CE-OD1 3.5Å; K27-D52 VanDerWaalsContact NZ-CG 3.34Å; K27-D52 IonicContact NZ-OD1 3.94Å; K27-D52 PolarHBondContact NZ-OD1 2.94Å; K27-D52 IonicContact NZ-OD2 2.63Å; K27-D52 PolarHBondContact NZ-OD2 2.87Å
28A95.8Very high94.5Very high31 Ų3156.4 Ų56.426%0.25631%0.314SS..Hα-helixtrans-60.2-46.6173.500000111E24 N25 I30 Q31 D32E24-A28 PolarHBondContact O-N 2.91Å; N25-A28 PolarHBondContact O-N 3.19Å; A28-I30 PolarHBondContact O-N 3.2Å; A28-Q31 WeakPolarHBondContact O-CA 3.27Å; A28-Q31 VanDerWaalsContact O-CB 3.25Å; A28-Q31 WeakPolarHBondContact O-CB 3.24Å; A28-Q31 PolarHBondContact O-N 3.01Å; A28-D32 PolarHBondContact O-N 2.91Å
29K95.8Very high94.2Very high58 Ų5854 Ų5425%0.25230%0.303SS..Hα-helixtrans-59.6-32.9174.8-69.5176.3177.9178.40113.3L15 E16 V17 D21 N25 V26 K33L15-K29 HydrophobicContact CD2-CB 4.21Å; E16-K29 PolarHBondContact O-NZ 3.02Å; V17-K29 HydrophobicContact CG1-CD 4.2Å; D21-K29 IonicContact OD2-NZ 3.2Å; D21-K29 PolarHBondContact OD2-NZ 3.16Å; N25-K29 WeakPolarHBondContact O-CG 3.39Å; N25-K29 PolarHBondContact O-N 2.85Å; V26-K29 PolarHBondContact O-N 3.47Å; K29-K33 PolarHBondContact O-N 3.42Å
30I95.7Very high94Very high0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-71.3-38.5173.4-67.3167.4000111.1V5 L15 V26 K27 A28 D32 K33 E34 L43 L69V5-I30 HydrophobicContact CG1-CD1 4.29Å; V5-I30 HydrophobicContact CG2-CD1 4.21Å; L15-I30 HydrophobicContact CD1-CD1 4.09Å; L15-I30 HydrophobicContact CD1-CG1 3.58Å; V26-I30 HydrophobicContact CG1-CD1 4.4Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 2.99Å; V26-I30 VanDerWaalsContact O-N 3.1Å; K27-I30 WeakPolarHBondContact O-CB 3.38Å; K27-I30 PolarHBondContact O-N 3.05Å; A28-I30 PolarHBondContact O-N 3.2Å; I30-D32 VanDerWaalsContact C-N 3.31Å; I30-D32 PolarHBondContact O-N 3.26Å; I30-K33 PolarHBondContact O-N 2.63Å; I30-E34 PolarHBondContact O-N 2.91Å; I30-L43 HydrophobicContact CD1-CD1 4.03Å; I30-L43 HydrophobicContact CD1-CD2 3.64Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; I30-L69 HydrophobicContact CG2-CD2 3.86Å
31Q95Very high94Very high78 Ų7850.1 Ų50.136%0.36427%0.271SS..Hα-helixtrans-59.3-44.1175-179.8-175.97.300110.7K27 A28 K33 G35 I36 P38K27-Q31 PolarHBondContact O-N 3.29Å; A28-Q31 WeakPolarHBondContact O-CA 3.27Å; A28-Q31 VanDerWaalsContact O-CB 3.25Å; A28-Q31 WeakPolarHBondContact O-CB 3.24Å; A28-Q31 PolarHBondContact O-N 3.01Å; Q31-K33 VanDerWaalsContact C-N 3.25Å; Q31-K33 PolarHBondContact O-N 3.03Å; Q31-G35 WeakPolarHBondContact O-CA 3.1Å; Q31-G35 PolarHBondContact O-N 3.17Å; Q31-I36 WeakPolarHBondContact CA-O 3.39Å; Q31-I36 VanDerWaalsContact CB-O 3.28Å; Q31-I36 WeakPolarHBondContact CB-O 3.29Å; Q31-I36 WeakPolarHBondContact CG-O 3.37Å; Q31-P38 VanDerWaalsContact OE1-CD 3.26Å
32D94.2Very high94Very high137 Ų13754.3 Ų54.373%0.73329%0.285SS*.Hα-helixtrans-63.4-32179.8-64.3-31.2000112.7A28 I30A28-D32 PolarHBondContact O-N 2.91Å; I30-D32 VanDerWaalsContact C-N 3.31Å; I30-D32 PolarHBondContact O-N 3.26Å
33K93.6Very high94Very high115 Ų11551.9 Ų51.950%0.527%0.269SS..Hα-helixtrans-88.4-40.5-178.5-69.3-164179.4-164.70114.6I13 T14 L15 K29 I30 Q31I13-K33 HydrophobicContact CG2-CD 3.93Å; T14-K33 PolarHBondContact O-NZ 3.47Å; L15-K33 HydrophobicContact CD2-CD 3.87Å; K29-K33 PolarHBondContact O-N 3.42Å; I30-K33 PolarHBondContact O-N 2.63Å; Q31-K33 VanDerWaalsContact C-N 3.25Å; Q31-K33 PolarHBondContact O-N 3.03Å
34E91.4Very high94Very high59 Ų5954.3 Ų54.328%0.27628%0.282SS..Hα-helixtrans-109.2-9-174.3-64-65.9126.900113.5K11 I13 I30 I36K11-E34 WeakPolarHBondContact CE-OE1 3.35Å; K11-E34 IonicContact NZ-OE1 2.66Å; K11-E34 PolarHBondContact NZ-OE1 3.23Å; K11-E34 IonicContact NZ-OE2 2.79Å; K11-E34 PolarHBondContact NZ-OE2 3.47Å; I13-E34 HydrophobicContact CD1-CG 3.38Å; I13-E34 HydrophobicContact CG1-CG 4.28Å; I30-E34 PolarHBondContact O-N 2.91Å; E34-I36 HydrophobicContact CB-CD1 3.71Å; E34-I36 HydrophobicContact CB-CG1 3.96Å; E34-I36 HydrophobicContact CG-CD1 4.43Å; E34-I36 PolarHBondContact O-N 3Å
35G91.8Very high94.1Very high58 Ų5850.3 Ų50.360%0.59826%0.262SS*.  trans72.911.7-176.300000114.4Q31 P37Q31-G35 WeakPolarHBondContact O-CA 3.1Å; Q31-G35 PolarHBondContact O-N 3.17Å; G35-P37 WeakPolarHBondContact O-CD 3.48Å
36I91.2Very high94Very high31 Ų3151.4 Ų51.416%0.15928%0.281CS..  trans-88.1121-175.8-59.4163.2000109.3Q31 E34 Q40 Q41 L69 L71Q31-I36 WeakPolarHBondContact CA-O 3.39Å; Q31-I36 VanDerWaalsContact CB-O 3.28Å; Q31-I36 WeakPolarHBondContact CB-O 3.29Å; Q31-I36 WeakPolarHBondContact CG-O 3.37Å; E34-I36 HydrophobicContact CB-CD1 3.71Å; E34-I36 HydrophobicContact CB-CG1 3.96Å; E34-I36 HydrophobicContact CG-CD1 4.43Å; E34-I36 PolarHBondContact O-N 3Å; I36-Q40 HydrophobicContact CG2-CB 4.2Å; I36-Q41 HydrophobicContact CB-CG 4.34Å; I36-Q41 HydrophobicContact CG2-CG 3.66Å; I36-Q41 PolarHBondContact O-NE2 3.3Å; I36-L69 HydrophobicContact CD1-CD2 4.12Å; I36-L71 HydrophobicContact CD1-CD2 4.09Å; I36-L71 HydrophobicContact CG1-CD2 4.46Å; I36-L71 HydrophobicContact CG2-CD2 3.49Å; I36-L71 VanDerWaalsContact CG2-CD2 3.49Å
37P92.5Very high93.9Very high33 Ų3355 Ų5521%0.21432%0.318CS..  trans-60.8140.7178.8-25.135000113.5G35 E39 Q40 Q41G35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-E39 WeakPolarHBondContact CB-OE1 3.5Å; P37-E39 WeakPolarHBondContact CB-OE2 3.46Å; P37-E39 PolarHBondContact O-N 3.36Å; P37-E39 VanDerWaalsContact O-N 3.15Å; P37-Q40 HydrophobicContact CB-CG 4.22Å; P37-Q40 HydrophobicContact CG-CG 4.46Å; P37-Q40 WeakPolarHBondContact O-CA 3.25Å; P37-Q40 WeakPolarHBondContact O-CB 3.42Å; P37-Q40 PolarHBondContact O-N 3.2Å; P37-Q41 WeakPolarHBondContact O-CG 3.49Å; P37-Q41 PolarHBondContact O-N 2.96Å
38P92.7Very high93.8Very high34 Ų3461.7 Ų61.722%0.22135%0.347CS..G310 helixtrans-57-33.9-174.4-26.135000113.7K27 Q31 Q40 Q41K27-P38 HydrophobicContact CB-CB 3.96Å; K27-P38 HydrophobicContact CD-CB 4.35Å; Q31-P38 VanDerWaalsContact OE1-CD 3.26Å; P38-Q40 PolarHBondContact O-N 3.47Å; P38-Q41 PolarHBondContact O-N 3.1Å; P38-Q41 VanDerWaalsContact O-N 3.07Å
39E89Confident93.8Very high77 Ų7763.9 Ų63.936%0.3635%0.352SS..G310 helixtrans-69.2-21.8178.875.2-75.7-179.300112.8P37 R72 R74P37-E39 WeakPolarHBondContact CB-OE1 3.5Å; P37-E39 WeakPolarHBondContact CB-OE2 3.46Å; P37-E39 PolarHBondContact O-N 3.36Å; P37-E39 VanDerWaalsContact O-N 3.15Å; E39-R72 WeakPolarHBondContact O-CD 3.4Å; E39-R72 PolarHBondContact O-NH1 3.5Å; E39-R74 IonicContact OE1-NH1 3.02Å
40Q90.7Very high93.8Very high71 Ų7161.1 Ų61.133%0.33234%0.34SS..G310 helixtrans-88.2-10.5173.3-57.6-175.9600112.5I36 P37 P38 L71 R72I36-Q40 HydrophobicContact CG2-CB 4.2Å; P37-Q40 HydrophobicContact CB-CG 4.22Å; P37-Q40 HydrophobicContact CG-CG 4.46Å; P37-Q40 WeakPolarHBondContact O-CA 3.25Å; P37-Q40 WeakPolarHBondContact O-CB 3.42Å; P37-Q40 PolarHBondContact O-N 3.2Å; P38-Q40 PolarHBondContact O-N 3.47Å; Q40-L71 CarbonylContact O-C 3.54Å; Q40-L71 WeakPolarHBondContact O-CA 3.33Å; Q40-R72 PolarHBondContact O-N 2.96Å
41Q93.8Very high93.8Very high0 Ų066 Ų660%036%0.363CS..EExtended strand (participates in β ladder)trans-89.7136.6-177.5-60.4178.528.500112.1K27 I36 P37 P38 L69K27-Q41 VanDerWaalsContact CA-OE1 3.3Å; K27-Q41 HydrophobicContact CD-CB 4.34Å; K27-Q41 HydrophobicContact CG-CB 4.34Å; K27-Q41 PolarHBondContact O-NE2 2.79Å; K27-Q41 PolarHBondContact O-OE1 3.21Å; I36-Q41 HydrophobicContact CB-CG 4.34Å; I36-Q41 HydrophobicContact CG2-CG 3.66Å; I36-Q41 PolarHBondContact O-NE2 3.3Å; P37-Q41 WeakPolarHBondContact O-CG 3.49Å; P37-Q41 PolarHBondContact O-N 2.96Å; P38-Q41 PolarHBondContact O-N 3.1Å; P38-Q41 VanDerWaalsContact O-N 3.07Å; Q41-L69 HydrophobicContact CB-CD1 3.83Å; Q41-L69 HydrophobicContact CG-CD1 4.01Å
42R94.5Very high93.7Very high108 Ų10865.3 Ų65.341%0.40836%0.362SS..EExtended strand (participates in β ladder)trans-122.1115.8164.1-102.1179.3163.1176.1-6.6109Q49 V70 R72R42-Q49 HydrophobicContact CG-CG 4.27Å; R42-V70 WeakPolarHBondContact CA-O 3.38Å; R42-V70 HydrophobicContact CB-CB 4.32Å; R42-V70 WeakPolarHBondContact CB-O 3.37Å; R42-V70 PolarHBondContact N-O 3.2Å; R42-V70 PolarHBondContact O-N 3.01Å; R42-R72 HydrophobicContact CG-CG 3.94Å
43L96.3Very high93.6Very high1 Ų162.6 Ų62.61%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-94.9134.5172.6-64.5175.3000109.6V5 I23 V26 K27 I30 L50 H68 L69V5-L43 HydrophobicContact CG1-CD2 4.28Å; I23-L43 HydrophobicContact CG2-CD1 4.32Å; V26-L43 HydrophobicContact CB-CD1 4.49Å; V26-L43 HydrophobicContact CG1-CD1 4.01Å; K27-L43 HydrophobicContact CG-CD1 3.89Å; K27-L43 HydrophobicContact CG-CG 4.48Å; I30-L43 HydrophobicContact CD1-CD1 4.03Å; I30-L43 HydrophobicContact CD1-CD2 3.64Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; L43-L50 HydrophobicContact CB-CB 4.25Å; L43-L50 HydrophobicContact CB-CD1 4.01Å; L43-L50 HydrophobicContact CB-CG 4.21Å; L43-L50 PolarHBondContact O-N 2.85Å; L43-H68 WeakPolarHBondContact CA-O 3.49Å; L43-L69 HydrophobicContact CD2-CB 4.22Å; L43-L69 HydrophobicContact CD2-CD1 3.88Å
44I96.9Very high93.7Very high51 Ų5162.5 Ų62.526%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-127.8131.7-178.4-55.9174.2000108.7K48 H68 V70I44-K48 WeakPolarHBondContact CA-O 3.43Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 3.44Å; I44-H68 PolarHBondContact O-N 3.01Å; I44-V70 HydrophobicContact CD1-CB 4.46Å; I44-V70 HydrophobicContact CD1-CG2 3.76Å
45F96.9Very high93.9Very high44 Ų4461.1 Ų61.119%0.19336%0.358CS..EExtended strand (participates in β ladder)trans-137.8134173.9-174.2-115000109.6G47 K48 L50 I61 L67F45-G47 PolarHBondContact O-N 2.96Å; F45-G47 VanDerWaalsContact O-N 3.1Å; F45-K48 PolarHBondContact N-O 3.23Å; F45-K48 PolarHBondContact O-N 2.99Å; F45-L50 HydrophobicContact CB-CD1 4.46Å; F45-L50 HydrophobicContact CB-CD2 4.07Å; F45-I61 HydrophobicContact CD1-CD1 4.27Å; F45-I61 HydrophobicContact CD1-CG1 3.68Å; F45-I61 HydrophobicContact CE1-CG1 3.77Å; F45-I61 HydrophobicContact CG-CD1 4.37Å; F45-I61 HydrophobicContact CG-CG1 4.1Å; F45-I61 HydrophobicContact CZ-CG1 4.28Å; F45-L67 HydrophobicContact CB-CD2 3.88Å; F45-L67 HydrophobicContact CD2-CG 4.44Å; F45-L67 HydrophobicContact CG-CD2 4.45Å
46A94.4Very high94.1Very high90 Ų9058.4 Ų58.474%0.74433%0.33SS*.THydrogen-bonded Turntrans47.740.2-179.100000114K48A46-K48 PolarHBondContact O-N 2.72Å
47G93.6Very high94.3Very high77 Ų7759.4 Ų59.479%0.79434%0.34SS*.THydrogen-bonded Turntrans74.20.3-178.400000115.5F45F45-G47 PolarHBondContact O-N 2.96Å; F45-G47 VanDerWaalsContact O-N 3.1Å
48K94.7Very high94.4Very high143 Ų14362.3 Ų62.362%0.62235%0.353SS*.EExtended strand (participates in β ladder)trans-103.7136.3177.5-65.8-177.9-179.4177.20110.9I44 F45 A46I44-K48 WeakPolarHBondContact CA-O 3.43Å; F45-K48 PolarHBondContact N-O 3.23Å; F45-K48 PolarHBondContact O-N 2.99Å; A46-K48 PolarHBondContact O-N 2.72Å
49Q94.8Very high94.6Very high76 Ų7662.3 Ų62.336%0.35535%0.349SS..EExtended strand (participates in β ladder)trans-73.9135.3169-170.3-166.5-49.100109.1R42R42-Q49 HydrophobicContact CG-CG 4.27Å
50L96.1Very high94.9Very high1 Ų164.8 Ų64.81%0.00537%0.365CS..PPolyproline II helixtrans-83.1140.4177.1-52.2-170.5000111.5I23 L43 F45 Y59 I61 L67I23-L50 HydrophobicContact CD1-CB 4.18Å; I23-L50 HydrophobicContact CD1-CD1 3.65Å; I23-L50 HydrophobicContact CD1-CG 4.49Å; I23-L50 HydrophobicContact CG1-CB 4.04Å; I23-L50 HydrophobicContact CG1-CD1 4.43Å; I23-L50 HydrophobicContact CG2-CB 3.87Å; L43-L50 HydrophobicContact CB-CB 4.25Å; L43-L50 HydrophobicContact CB-CD1 4.01Å; L43-L50 HydrophobicContact CB-CG 4.21Å; L43-L50 PolarHBondContact O-N 2.85Å; F45-L50 HydrophobicContact CB-CD1 4.46Å; F45-L50 HydrophobicContact CB-CD2 4.07Å; L50-Y59 HydrophobicContact CB-CE2 4.18Å; L50-Y59 HydrophobicContact CD2-CD1 3.6Å; L50-Y59 HydrophobicContact CD2-CD2 3.65Å; L50-Y59 HydrophobicContact CD2-CE1 3.63Å; L50-Y59 HydrophobicContact CD2-CE2 3.66Å; L50-Y59 HydrophobicContact CD2-CG 3.6Å; L50-Y59 HydrophobicContact CG-CE2 4.44Å; L50-I61 HydrophobicContact CD1-CD1 3.9Å; L50-L67 HydrophobicContact CD1-CD2 3.32Å; L50-L67 HydrophobicContact CG-CD2 4.44Å
51E95.3Very high95.1Very high103 Ų10361.7 Ų61.748%0.48135%0.351SS..PPolyproline II helixtrans-102.4140.8-179.4-65.3178.216600110.8I23 G53 R54 Y59I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.14Å; I23-E51 WeakPolarHBondContact CG1-O 3.28Å; E51-G53 VanDerWaalsContact C-N 3.26Å; E51-G53 PolarHBondContact O-N 2.78Å; E51-R54 HydrophobicContact CB-CG 4.42Å; E51-R54 PolarHBondContact O-N 2.86Å; E51-R54 IonicContact OE2-CZ 3.01Å; E51-R54 IonicContact OE2-NE 3.42Å; E51-R54 PolarHBondContact OE2-NE 3.07Å; E51-R54 IonicContact OE2-NH2 3.63Å; E51-R54 PolarHBondContact OE2-NH2 3.33Å; E51-Y59 PolarHBondContact N-OH 2.91Å
52D92.8Very high95.1Very high62 Ų6268.4 Ų68.433%0.33238%0.382SS..THydrogen-bonded Turntrans-63.4-29.5-173.3-66.8-37.1000113.4E24 K27 R54E24-D52 HydrophobicContact CB-CB 4.29Å; K27-D52 WeakPolarHBondContact CD-OD1 3.36Å; K27-D52 WeakPolarHBondContact CE-OD1 3.5Å; K27-D52 VanDerWaalsContact NZ-CG 3.34Å; K27-D52 IonicContact NZ-OD1 3.94Å; K27-D52 PolarHBondContact NZ-OD1 2.94Å; K27-D52 IonicContact NZ-OD2 2.63Å; K27-D52 PolarHBondContact NZ-OD2 2.87Å; D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 2.77Å
53G91.7Very high95.1Very high80 Ų8069.5 Ų69.583%0.82539%0.39SS*.THydrogen-bonded Turntrans-85.98.6-179.900000116E51E51-G53 VanDerWaalsContact C-N 3.26Å; E51-G53 PolarHBondContact O-N 2.78Å
54R96.1Very high95Very high113 Ų11374.9 Ų74.943%0.42642%0.415SS..SBendtrans-113.5162176.3-64.5-165.2-163.1-146.4-3.8110.9P22 I23 E51 D52 D58 Y59P22-R54 WeakPolarHBondContact CA-O 3.34Å; I23-R54 WeakPolarHBondContact CG1-O 3.32Å; I23-R54 PolarHBondContact N-O 3.15Å; E51-R54 HydrophobicContact CB-CG 4.42Å; E51-R54 PolarHBondContact O-N 2.86Å; E51-R54 IonicContact OE2-CZ 3.01Å; E51-R54 IonicContact OE2-NE 3.42Å; E51-R54 PolarHBondContact OE2-NE 3.07Å; E51-R54 IonicContact OE2-NH2 3.63Å; E51-R54 PolarHBondContact OE2-NH2 3.33Å; D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 2.77Å; R54-D58 WeakPolarHBondContact CA-OD2 3.48Å; R54-D58 HydrophobicContact CB-CB 4.23Å; R54-D58 WeakPolarHBondContact CB-OD2 3.11Å; R54-Y59 HydrophobicContact CB-CD2 4.4Å; R54-Y59 HydrophobicContact CB-CE2 3.66Å; R54-Y59 HydrophobicContact CG-CE2 4.36Å
55T96.5Very high95Very high31 Ų3173.3 Ų73.319%0.1941%0.409CS..BIsolated β-bridgetrans-97.2169.7176.467.60000112.4C20 D21 S57 D58 Y59C20-T55 WeakPolarHBondContact O-CG2 3.4Å; D21-T55 WeakPolarHBondContact O-CA 3.44Å; T55-S57 VanDerWaalsContact C-N 3.27Å; T55-S57 PolarHBondContact O-N 3.39Å; T55-S57 PolarHBondContact OG1-N 2.75Å; T55-S57 PolarHBondContact OG1-OG 3.47Å; T55-D58 PolarHBondContact N-OD2 3.1Å; T55-D58 PolarHBondContact O-N 2.81Å; T55-D58 VanDerWaalsContact OG1-CG 3.27Å; T55-D58 PolarHBondContact OG1-N 2.93Å; T55-D58 PolarHBondContact OG1-OD1 2.76Å; T55-D58 PolarHBondContact OG1-OD2 2.89Å; T55-Y59 WeakPolarHBondContact O-CD2 3.38Å
56L96Very high95Very high0 Ų073.8 Ų73.80%042%0.415CS..THydrogen-bonded Turntrans-61-37.4170.9-70.5175.8000112.2M1 V17 D21 I23 V26 D58 Y59 N60 I61M1-L56 HydrophobicContact CE-CB 4.15Å; M1-L56 HydrophobicContact CE-CD1 3.79Å; V17-L56 HydrophobicContact CB-CD1 3.68Å; V17-L56 HydrophobicContact CG1-CD1 4.27Å; V17-L56 HydrophobicContact CG2-CD1 3.46Å; V17-L56 VanDerWaalsContact CG2-CD1 3.46Å; D21-L56 HydrophobicContact CB-CD1 4.33Å; D21-L56 PolarHBondContact O-N 2.9Å; D21-L56 VanDerWaalsContact O-N 3.07Å; I23-L56 HydrophobicContact CD1-CD2 3.71Å; I23-L56 HydrophobicContact CD1-CG 4.33Å; V26-L56 HydrophobicContact CG2-CD1 3.88Å; V26-L56 HydrophobicContact CG2-CD2 4.05Å; V26-L56 HydrophobicContact CG2-CG 4.01Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 3.3Å; L56-Y59 PolarHBondContact O-N 2.81Å; L56-N60 PolarHBondContact O-N 2.9Å; L56-I61 HydrophobicContact CB-CB 4.25Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.47Å; L56-I61 VanDerWaalsContact CD2-CD1 3.47Å; L56-I61 HydrophobicContact CD2-CG1 4.42Å; L56-I61 HydrophobicContact CD2-CG2 4.11Å; L56-I61 WeakPolarHBondContact O-CB 3.38Å; L56-I61 PolarHBondContact O-N 2.81Å
57S95Very high95.1Very high52 Ų5269.5 Ų69.536%0.36438%0.38SS..G310 helixtrans-64.6-35.2177.461.30000112.8P19 T55 Y59 N60P19-S57 WeakPolarHBondContact O-CB 3.47Å; P19-S57 PolarHBondContact O-N 2.88Å; P19-S57 PolarHBondContact O-OG 3.25Å; T55-S57 VanDerWaalsContact C-N 3.27Å; T55-S57 PolarHBondContact O-N 3.39Å; T55-S57 PolarHBondContact OG1-N 2.75Å; T55-S57 PolarHBondContact OG1-OG 3.47Å; S57-Y59 PolarHBondContact O-N 2.87Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; S57-N60 PolarHBondContact O-N 3.42Å
58D95.6Very high95.3Very high94 Ų9470.5 Ų70.550%0.50336%0.363SS..G310 helixtrans-60.7-25.9177.2-66.3-24.6000113R54 T55 L56R54-D58 WeakPolarHBondContact CA-OD2 3.48Å; R54-D58 HydrophobicContact CB-CB 4.23Å; R54-D58 WeakPolarHBondContact CB-OD2 3.11Å; T55-D58 PolarHBondContact N-OD2 3.1Å; T55-D58 PolarHBondContact O-N 2.81Å; T55-D58 VanDerWaalsContact OG1-CG 3.27Å; T55-D58 PolarHBondContact OG1-N 2.93Å; T55-D58 PolarHBondContact OG1-OD1 2.76Å; T55-D58 PolarHBondContact OG1-OD2 2.89Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 3.3Å
59Y95.8Very high95.4Very high34 Ų3464 Ų6413%0.13334%0.335CS..G310 helixtrans-99.37.8177-69.1-75.5000113.4I23 L50 E51 R54 T55 L56 S57 I61I23-Y59 HydrophobicContact CD1-CD2 4.45Å; I23-Y59 HydrophobicContact CG1-CE2 4.22Å; L50-Y59 HydrophobicContact CB-CE2 4.18Å; L50-Y59 HydrophobicContact CD2-CD1 3.6Å; L50-Y59 HydrophobicContact CD2-CD2 3.65Å; L50-Y59 HydrophobicContact CD2-CE1 3.63Å; L50-Y59 HydrophobicContact CD2-CE2 3.66Å; L50-Y59 HydrophobicContact CD2-CG 3.6Å; L50-Y59 HydrophobicContact CG-CE2 4.44Å; E51-Y59 PolarHBondContact N-OH 2.91Å; R54-Y59 HydrophobicContact CB-CD2 4.4Å; R54-Y59 HydrophobicContact CB-CE2 3.66Å; R54-Y59 HydrophobicContact CG-CE2 4.36Å; T55-Y59 WeakPolarHBondContact O-CD2 3.38Å; L56-Y59 PolarHBondContact O-N 2.81Å; S57-Y59 PolarHBondContact O-N 2.87Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; Y59-I61 PolarHBondContact O-N 2.89Å
60N94.7Very high95.3Very high129 Ų12962.1 Ų62.169%0.6933%0.329SS*.THydrogen-bonded Turntrans53.136.5-174-62.7-49.5000112.8L56 S57 Q62L56-N60 PolarHBondContact O-N 2.9Å; S57-N60 PolarHBondContact O-N 3.42Å; N60-Q62 PolarHBondContact O-N 2.76Å
61I95.2Very high95.1Very high6 Ų666.2 Ų66.23%0.03135%0.35CS..  trans-77.5117.9177.1-63.6165.6000108M1 I3 F45 L50 L56 Y59 L67M1-I61 WeakPolarHBondContact CE-O 3.38Å; I3-I61 HydrophobicContact CG2-CG2 4.1Å; F45-I61 HydrophobicContact CD1-CD1 4.27Å; F45-I61 HydrophobicContact CD1-CG1 3.68Å; F45-I61 HydrophobicContact CE1-CG1 3.77Å; F45-I61 HydrophobicContact CG-CD1 4.37Å; F45-I61 HydrophobicContact CG-CG1 4.1Å; F45-I61 HydrophobicContact CZ-CG1 4.28Å; L50-I61 HydrophobicContact CD1-CD1 3.9Å; L56-I61 HydrophobicContact CB-CB 4.25Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.47Å; L56-I61 VanDerWaalsContact CD2-CD1 3.47Å; L56-I61 HydrophobicContact CD2-CG1 4.42Å; L56-I61 HydrophobicContact CD2-CG2 4.11Å; L56-I61 WeakPolarHBondContact O-CB 3.38Å; L56-I61 PolarHBondContact O-N 2.81Å; Y59-I61 PolarHBondContact O-N 2.89Å; I61-L67 HydrophobicContact CD1-CD2 4.04Å
62Q93.6Very high94.6Very high141 Ų14165.4 Ų65.466%0.65934%0.343SS*.  trans-105.4175.3-177.6-63.6-174.3-7.800111.7N60 E64 S65N60-Q62 PolarHBondContact O-N 2.76Å; Q62-E64 PolarHBondContact O-N 3.37Å; Q62-S65 PolarHBondContact N-OG 2.8Å; Q62-S65 WeakPolarHBondContact O-CB 3.43Å; Q62-S65 PolarHBondContact O-N 3.37Å; Q62-S65 VanDerWaalsContact O-N 3.14Å; Q62-S65 PolarHBondContact O-OG 2.79Å
63K95.1Very high93.7Very high131 Ų13170.6 Ų70.657%0.5737%0.37SS*.THydrogen-bonded Turntrans-51.4139.7169.4-173.6-174.9173.1-160.10110M1 S65M1-K63 HydrophobicContact CB-CB 4.3Å; K63-S65 PolarHBondContact O-N 2.66Å
64E94.8Very high92.4Very high114 Ų11474.2 Ų74.253%0.53336%0.359SS..THydrogen-bonded Turntrans65.110-179.7-68159.3-149.300115.1Q2 F4 Q62Q2-E64 PolarHBondContact O-N 2.78Å; F4-E64 HydrophobicContact CE2-CB 4.02Å; F4-E64 HydrophobicContact CE2-CG 3.96Å; Q62-E64 PolarHBondContact O-N 3.37Å
65S96.7Very high90.7Very high19 Ų1972.5 Ų72.513%0.13338%0.377CS..  trans-63143.4172-64.50000111.7F4 Q62 K63F4-S65 PolarHBondContact N-O 3.18Å; Q62-S65 PolarHBondContact N-OG 2.8Å; Q62-S65 WeakPolarHBondContact O-CB 3.43Å; Q62-S65 PolarHBondContact O-N 3.37Å; Q62-S65 VanDerWaalsContact O-N 3.14Å; Q62-S65 PolarHBondContact O-OG 2.79Å; K63-S65 PolarHBondContact O-N 2.66Å
66T96.6Very high89.1Confident53 Ų5374 Ų7433%0.32540%0.398SS..EExtended strand (participates in β ladder)trans-106.6115.4178.3-24.10000111.2F4 K6F4-T66 HydrophobicContact CB-CG2 3.91Å; F4-T66 CarbonylContact O-C 3.54Å; F4-T66 WeakPolarHBondContact O-CA 3.11Å; K6-T66 HydrophobicContact CD-CG2 3.92Å; K6-T66 HydrophobicContact CG-CG2 3.91Å
67L97.1Very high87.8Confident0 Ų079.1 Ų79.10%044%0.44CS..EExtended strand (participates in β ladder)trans-93.9152.5171.9-70.9133.6000110.3I3 F4 V5 K6 F45 L50 I61I3-L67 HydrophobicContact CB-CD1 4.44Å; I3-L67 HydrophobicContact CD1-CD1 3.49Å; I3-L67 VanDerWaalsContact CD1-CD1 3.49Å; I3-L67 HydrophobicContact CG1-CD1 4.41Å; F4-L67 PolarHBondContact O-N 2.89Å; V5-L67 CarbonylContact C-O 3.54Å; V5-L67 WeakPolarHBondContact CA-O 3.45Å; V5-L67 HydrophobicContact CG2-CB 4.25Å; V5-L67 HydrophobicContact CG2-CD1 4.46Å; K6-L67 PolarHBondContact N-O 3.17Å; F45-L67 HydrophobicContact CB-CD2 3.88Å; F45-L67 HydrophobicContact CD2-CG 4.44Å; F45-L67 HydrophobicContact CG-CD2 4.45Å; L50-L67 HydrophobicContact CD1-CD2 3.32Å; L50-L67 HydrophobicContact CG-CD2 4.44Å; I61-L67 HydrophobicContact CD1-CD2 4.04Å
68H97.4Very high87Confident98 Ų9881.8 Ų81.845%0.45445%0.449SS..EExtended strand (participates in β ladder)trans-108.8124.3173.9-64.667.2000109.4K6 L43 I44K6-H68 CarbonylContact O-C 3.57Å; K6-H68 WeakPolarHBondContact O-CA 3.34Å; L43-H68 WeakPolarHBondContact CA-O 3.49Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 3.44Å; I44-H68 PolarHBondContact O-N 3.01Å
69L96.3Very high86.5Confident6 Ų683.1 Ų83.13%0.03145%0.453CS..EExtended strand (participates in β ladder)trans-95.7119.7174176.464.6000109.8V5 K6 T7 I30 I36 Q41 L43V5-L69 HydrophobicContact CG1-CB 3.54Å; V5-L69 HydrophobicContact CG1-CD2 4.49Å; K6-L69 PolarHBondContact O-N 3.39Å; T7-L69 HydrophobicContact CG2-CD2 4.35Å; I30-L69 HydrophobicContact CG2-CD2 3.86Å; I36-L69 HydrophobicContact CD1-CD2 4.12Å; Q41-L69 HydrophobicContact CB-CD1 3.83Å; Q41-L69 HydrophobicContact CG-CD1 4.01Å; L43-L69 HydrophobicContact CD2-CB 4.22Å; L43-L69 HydrophobicContact CD2-CD1 3.88Å
70V93.6Very high86.2Confident37 Ų3786 Ų8622%0.22448%0.475CS..EExtended strand (participates in β ladder)trans-118140.4172.5-177.50000108.4L8 R42 I44L8-V70 HydrophobicContact CD1-CG1 3.98Å; L8-V70 HydrophobicContact CD1-CG2 4.45Å; L8-V70 HydrophobicContact CD2-CG2 4.02Å; L8-V70 HydrophobicContact CG-CG2 4.22Å; R42-V70 WeakPolarHBondContact CA-O 3.38Å; R42-V70 HydrophobicContact CB-CB 4.32Å; R42-V70 WeakPolarHBondContact CB-O 3.37Å; R42-V70 PolarHBondContact N-O 3.2Å; R42-V70 PolarHBondContact O-N 3.01Å; I44-V70 HydrophobicContact CD1-CB 4.46Å; I44-V70 HydrophobicContact CD1-CG2 3.76Å
71L91.3Very high86Confident87 Ų8783.3 Ų83.346%0.45547%0.467SS..EExtended strand (participates in β ladder)trans-81.7136174.4-64.2177.9000110.2I36 Q40 L73I36-L71 HydrophobicContact CD1-CD2 4.09Å; I36-L71 HydrophobicContact CG1-CD2 4.46Å; I36-L71 HydrophobicContact CG2-CD2 3.49Å; I36-L71 VanDerWaalsContact CG2-CD2 3.49Å; Q40-L71 CarbonylContact O-C 3.54Å; Q40-L71 WeakPolarHBondContact O-CA 3.33Å; L71-L73 PolarHBondContact O-N 2.8Å
72R84.8Confident85.8Confident86 Ų8687.8 Ų87.833%0.32549%0.49SS..  trans-66.3113.5164-70.2-164.5175.9127-9.1107.5E39 Q40 R42 R74E39-R72 WeakPolarHBondContact O-CD 3.4Å; E39-R72 PolarHBondContact O-NH1 3.5Å; Q40-R72 PolarHBondContact O-N 2.96Å; R42-R72 HydrophobicContact CG-CG 3.94Å; R72-R74 VanDerWaalsContact C-N 3.31Å; R72-R74 PolarHBondContact O-N 3.17Å
73L74.5Confident85.6Confident172 Ų17285 Ų8590%0.90148%0.48SS*.  trans-67.992.3169.7-61175.9000108.2L71L71-L73 PolarHBondContact O-N 2.8Å
74R64.2Low85.4Confident155 Ų15585.5 Ų85.559%0.58548%0.484SS*.PPolyproline II helixtrans-76.6129.6161.6-77-175.4178.31660.7107.3E39 R72 G76E39-R74 IonicContact OE1-NH1 3.02Å; R72-R74 VanDerWaalsContact C-N 3.31Å; R72-R74 PolarHBondContact O-N 3.17Å; R74-G76 PolarHBondContact O-N 3.09Å; R74-G76 VanDerWaalsContact O-N 3.09Å
75G60.8Low85.4Confident78 Ų7884.2 Ų84.280%0.80448%0.48SS*.PPolyproline II helixtrans-55.8117.4158.600000107A77G75-A77 PolarHBondContact O-N 3.13Å
76G62.5Low85.2Confident62 Ų6285 Ų8564%0.63949%0.488SS*.PPolyproline II helixtrans-53.5140.7-172.100000111.7R74 I78R74-G76 PolarHBondContact O-N 3.09Å; R74-G76 VanDerWaalsContact O-N 3.09Å; G76-I78 PolarHBondContact O-N 3.49Å; G76-I78 VanDerWaalsContact O-N 3.13Å
77A68.5Low84.9Confident107 Ų10785.7 Ų85.788%0.88449%0.489SS*.PPolyproline II helixtrans-61.5116.3165.600000107.2G75 E79G75-A77 PolarHBondContact O-N 3.13Å; A77-E79 PolarHBondContact O-N 3.35Å
78I78.1Confident84.7Confident108 Ų10891.6 Ų91.655%0.55452%0.515SS*.PPolyproline II helixtrans-69.3124.5178.2-61.4175.2000107.1G76 L82 L83G76-I78 PolarHBondContact O-N 3.49Å; G76-I78 VanDerWaalsContact O-N 3.13Å; I78-L82 HydrophobicContact CG2-CB 3.55Å; I78-L83 HydrophobicContact CG2-CB 4.11Å
79E84.9Confident84.5Confident123 Ų12393.7 Ų93.758%0.57552%0.52SS*.  trans-43.1134.3171-95.5-67.1133.900111A77 S81 L82 L83A77-E79 PolarHBondContact O-N 3.35Å; E79-S81 PolarHBondContact O-N 3.43Å; E79-L82 HydrophobicContact CB-CB 4.3Å; E79-L82 HydrophobicContact CB-CD1 4.14Å; E79-L82 HydrophobicContact CB-CG 4.14Å; E79-L82 WeakPolarHBondContact O-CA 3.3Å; E79-L82 WeakPolarHBondContact O-CB 3.49Å; E79-L82 PolarHBondContact O-N 2.95Å; E79-L83 PolarHBondContact O-N 3.42Å
80P89.5Confident84.4Confident93 Ų9397.7 Ų97.760%0.60454%0.541SS*.Hα-helixtrans-53.3-34.7-174.5-28.935.4000113.9L83 Q84P80-L83 WeakPolarHBondContact O-CB 3.4Å; P80-L83 PolarHBondContact O-N 2.92Å; P80-Q84 PolarHBondContact O-N 2.95Å
81S91Very high84.4Confident74 Ų7496.9 Ų96.952%0.51754%0.536SS..Hα-helixtrans-66.3-42.7176.460.40000112.7E79 L83 Q84 L85E79-S81 PolarHBondContact O-N 3.43Å; S81-L83 VanDerWaalsContact C-N 3.34Å; S81-Q84 PolarHBondContact O-N 3.04Å; S81-L85 PolarHBondContact O-N 3.36Å
82L90.5Very high84.5Confident99 Ų9996 Ų9652%0.51853%0.532SS..Hα-helixtrans-68.6-35.4175.2-67.8-178.7000111.4I78 E79 L85 A86I78-L82 HydrophobicContact CG2-CB 3.55Å; E79-L82 HydrophobicContact CB-CB 4.3Å; E79-L82 HydrophobicContact CB-CD1 4.14Å; E79-L82 HydrophobicContact CB-CG 4.14Å; E79-L82 WeakPolarHBondContact O-CA 3.3Å; E79-L82 WeakPolarHBondContact O-CB 3.49Å; E79-L82 PolarHBondContact O-N 2.95Å; L82-L85 PolarHBondContact O-N 2.86Å; L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 3.17Å
83L90.1Very high85.1Confident84 Ų8494 Ų9444%0.4453%0.526SS..Hα-helixtrans-62.2-47.5173.1179.563.9000110.3I78 E79 P80 S81 L85 A86 L87I78-L83 HydrophobicContact CG2-CB 4.11Å; E79-L83 PolarHBondContact O-N 3.42Å; P80-L83 WeakPolarHBondContact O-CB 3.4Å; P80-L83 PolarHBondContact O-N 2.92Å; S81-L83 VanDerWaalsContact C-N 3.34Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.41Å; L83-A86 WeakPolarHBondContact O-CB 3.48Å; L83-A86 PolarHBondContact O-N 2.87Å; L83-L87 HydrophobicContact CG-CD1 4.35Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.37Å
84Q91.2Very high86.2Confident140 Ų14088.8 Ų88.865%0.65450%0.496SS*.Hα-helixtrans-60.9-41.3177-169.11775.900112P80 S81 L87 K88P80-Q84 PolarHBondContact O-N 2.95Å; S81-Q84 PolarHBondContact O-N 3.04Å; Q84-L87 PolarHBondContact O-N 2.74Å; Q84-K88 PolarHBondContact O-N 3.43Å
85L93.5Very high87.8Confident87 Ų8782.2 Ų82.246%0.45547%0.472SS..Hα-helixtrans-59.5-48173.4-173.666.3000111.1S81 L82 L83 L87 K88 Y89S81-L85 PolarHBondContact O-N 3.36Å; L82-L85 PolarHBondContact O-N 2.86Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.41Å; L85-L87 PolarHBondContact O-N 2.8Å; L85-K88 WeakPolarHBondContact O-CB 3.26Å; L85-K88 PolarHBondContact O-N 3.25Å; L85-Y89 HydrophobicContact CD1-CD2 4.16Å; L85-Y89 HydrophobicContact CD1-CE2 3.7Å; L85-Y89 HydrophobicContact CG-CD2 4.37Å; L85-Y89 HydrophobicContact CG-CE2 4.32Å; L85-Y89 VanDerWaalsContact O-CD2 3.32Å; L85-Y89 WeakPolarHBondContact O-CD2 3.49Å; L85-Y89 PolarHBondContact O-N 2.92Å
86A92.2Very high89.6Confident37 Ų3778.5 Ų78.531%0.30643%0.434SS..Hα-helixtrans-60.8-43.417800000111.9L82 L83 K88 Y89 N90L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 3.17Å; L83-A86 WeakPolarHBondContact O-CB 3.48Å; L83-A86 PolarHBondContact O-N 2.87Å; A86-K88 VanDerWaalsContact C-N 3.34Å; A86-K88 PolarHBondContact O-N 3.04Å; A86-Y89 PolarHBondContact O-N 2.85Å; A86-N90 VanDerWaalsContact O-CB 3.26Å; A86-N90 WeakPolarHBondContact O-CB 3.43Å; A86-N90 PolarHBondContact O-N 3.44Å
87L91.6Very high91.3Very high66 Ų6681.9 Ų81.935%0.34643%0.427SS..Hα-helixtrans-58.4-44.5176.2-70175.5000111.5L83 Q84 L85 Y89 N90 V91 D92L83-L87 HydrophobicContact CG-CD1 4.35Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.37Å; Q84-L87 PolarHBondContact O-N 2.74Å; L85-L87 PolarHBondContact O-N 2.8Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 PolarHBondContact O-N 3.29Å; L87-N90 PolarHBondContact O-N 3.37Å; L87-V91 HydrophobicContact CD2-CB 3.91Å; L87-V91 HydrophobicContact CD2-CG1 4.36Å; L87-V91 HydrophobicContact CD2-CG2 3.62Å; L87-V91 CarbonylContact O-C 3.6Å; L87-V91 WeakPolarHBondContact O-CA 3.32Å; L87-V91 PolarHBondContact O-N 3.24Å; L87-D92 PolarHBondContact O-N 3.44Å
88K92.6Very high92.7Very high124 Ų12483.1 Ų83.154%0.53941%0.413SS..Hα-helixtrans-57.3-40177.7-178-177.2177.1-176.70112.9Q84 L85 A86 K93Q84-K88 PolarHBondContact O-N 3.43Å; L85-K88 WeakPolarHBondContact O-CB 3.26Å; L85-K88 PolarHBondContact O-N 3.25Å; A86-K88 VanDerWaalsContact C-N 3.34Å; A86-K88 PolarHBondContact O-N 3.04Å; K88-K93 WeakPolarHBondContact O-CE 3.3Å; K88-K93 PolarHBondContact O-NZ 2.86Å
89Y93.3Very high93.6Very high142 Ų14278.9 Ų78.956%0.55739%0.393SS*.Hα-helixtrans-85.1-34.8-178.6-77.4-82.7000113.4L85 A86 L87 K93L85-Y89 HydrophobicContact CD1-CD2 4.16Å; L85-Y89 HydrophobicContact CD1-CE2 3.7Å; L85-Y89 HydrophobicContact CG-CD2 4.37Å; L85-Y89 HydrophobicContact CG-CE2 4.32Å; L85-Y89 VanDerWaalsContact O-CD2 3.32Å; L85-Y89 WeakPolarHBondContact O-CD2 3.49Å; L85-Y89 PolarHBondContact O-N 2.92Å; A86-Y89 PolarHBondContact O-N 2.85Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 PolarHBondContact O-N 3.29Å; Y89-K93 WeakPolarHBondContact O-CE 3.06Å
90N93Very high94.2Very high90 Ų9080.9 Ų80.948%0.48140%0.396SS..Hα-helixtrans-106.8-29.8-167.6-63.9-28.7000113.7A86 L87 K124A86-N90 VanDerWaalsContact O-CB 3.26Å; A86-N90 WeakPolarHBondContact O-CB 3.43Å; A86-N90 PolarHBondContact O-N 3.44Å; L87-N90 PolarHBondContact O-N 3.37Å; N90-K124 PolarHBondContact O-NZ 3.17Å
91V93.5Very high94.6Very high20 Ų2077.1 Ų77.112%0.12137%0.373CS..THydrogen-bonded Turntrans-114.4-48.7-170.8-177.20000112.2L87 K93 K126L87-V91 HydrophobicContact CD2-CB 3.91Å; L87-V91 HydrophobicContact CD2-CG1 4.36Å; L87-V91 HydrophobicContact CD2-CG2 3.62Å; L87-V91 CarbonylContact O-C 3.6Å; L87-V91 WeakPolarHBondContact O-CA 3.32Å; L87-V91 PolarHBondContact O-N 3.24Å; V91-K93 PolarHBondContact O-N 3.29Å; V91-K126 HydrophobicContact CG1-CG 4.03Å
92D94.6Very high94.9Very high69 Ų6979.9 Ų79.937%0.36937%0.372SS..SBendtrans-74.869.7-174-62-32.8000112.2L87 P105L87-D92 PolarHBondContact O-N 3.44Å; D92-P105 WeakPolarHBondContact O-CD 3.48Å
93K97.2Very high95.3Very high44 Ų4475.3 Ų75.319%0.19135%0.348CS..  trans-135.3153.4-175.4-58.5-63.8178.6-142.70109.6K88 Y89 V91 R102 L103 K124K88-K93 WeakPolarHBondContact O-CE 3.3Å; K88-K93 PolarHBondContact O-NZ 2.86Å; Y89-K93 WeakPolarHBondContact O-CE 3.06Å; V91-K93 PolarHBondContact O-N 3.29Å; K93-R102 HydrophobicContact CB-CG 3.87Å; K93-R102 HydrophobicContact CD-CG 4.39Å; K93-R102 HydrophobicContact CG-CG 3.91Å; K93-L103 WeakPolarHBondContact CA-O 3.15Å; K93-L103 WeakPolarHBondContact CB-O 3.31Å; K93-K124 HydrophobicContact CB-CB 4.45Å; K93-K124 VanDerWaalsContact O-CB 3.31Å; K93-K124 WeakPolarHBondContact O-CB 3.34Å; K93-K124 PolarHBondContact O-N 2.9Å
94K97.2Very high95.6Very high63 Ų6375 Ų7527%0.27435%0.35SS..EExtended strand (participates in β ladder)trans-93.6155.4163.8-77.6-177.2177.7177.30110.2L103 P105 A107 L121 R122K94-L103 HydrophobicContact CB-CB 4.19Å; K94-L103 PolarHBondContact N-O 2.86Å; K94-L103 PolarHBondContact O-N 2.74Å; K94-P105 WeakPolarHBondContact CD-O 3.33Å; K94-P105 WeakPolarHBondContact CE-O 3.44Å; K94-A107 WeakPolarHBondContact CD-O 3.37Å; K94-A107 PolarHBondContact NZ-O 2.71Å; K94-L121 HydrophobicContact CD-CB 4.28Å; K94-L121 HydrophobicContact CD-CD1 4.14Å; K94-R122 CarbonylContact C-O 3.57Å; K94-R122 VanDerWaalsContact CA-O 3.3Å; K94-R122 WeakPolarHBondContact CA-O 3.44Å
95I98.2Very high95.8Very high16 Ų1671.5 Ų71.58%0.08234%0.34CS..EExtended strand (participates in β ladder)trans-123.8131.2176.2-53.5-62.6000108Y100 A101 R102 L121 R122 K124I95-Y100 HydrophobicContact CG2-CD1 4.35Å; I95-A101 WeakPolarHBondContact CA-O 3.4Å; I95-R102 HydrophobicContact CD1-CB 4.29Å; I95-R102 HydrophobicContact CD1-CG 4.32Å; I95-L121 CarbonylContact O-C 3.48Å; I95-L121 WeakPolarHBondContact O-CA 3.46Å; I95-R122 HydrophobicContact CB-CG 4.14Å; I95-R122 PolarHBondContact N-O 3.31Å; I95-R122 PolarHBondContact O-N 3.28Å; I95-K124 HydrophobicContact CD1-CB 4.21Å; I95-K124 HydrophobicContact CD1-CD 4.47Å; I95-K124 HydrophobicContact CD1-CG 4.24Å; I95-K124 HydrophobicContact CG1-CB 3.9Å; I95-K124 HydrophobicContact CG1-CG 4.2Å
96C98.5Very high95.9Very high0 Ų078.5 Ų78.50%036%0.361CS..EExtended strand (participates in β ladder)trans-69.5130.3170.3178.50000110.2K98 Y100 A101 L103 C110 L121C96-K98 PolarHBondContact SG-N 2.85Å; C96-Y100 WeakPolarHBondContact O-CA 3.43Å; C96-Y100 PolarHBondContact O-N 2.79Å; C96-A101 HydrophobicContact CB-CB 4.36Å; C96-A101 PolarHBondContact N-O 2.93Å; C96-L103 HydrophobicContact CB-CD1 4.37Å; C96-C110 HydrophobicContact CB-CB 4.04Å; C96-L121 HydrophobicContact CB-CD2 3.93Å
97R97.9Very high96.2Very high133 Ų13377.6 Ų77.650%0.50235%0.353SS..THydrogen-bonded Turntrans-69.8-32.5178.4-63-160.3-170.4-1171.5113.2N120 R122R97-N120 WeakPolarHBondContact CB-O 3.45Å; R97-N120 WeakPolarHBondContact CD-OD1 2.95Å; R97-N120 PolarHBondContact N-O 2.86Å; R97-N120 PolarHBondContact NE-OD1 3.01Å; R97-R122 HydrophobicContact CG-CB 4.3Å; R97-R122 HydrophobicContact CG-CG 4.13Å
98K97.6Very high96.5Very high134 Ų13479.4 Ų79.458%0.58337%0.367SS*.THydrogen-bonded Turntrans-76.5-38.4-179-64.2-168.1-179-173.80113.2C96 C115 S118C96-K98 PolarHBondContact SG-N 2.85Å; K98-C115 HydrophobicContact CB-CB 3.88Å; K98-C115 HydrophobicContact CD-CB 4.37Å; K98-S118 WeakPolarHBondContact CE-OG 3.44Å
99C98.1Very high96.7Very high19 Ų1977.5 Ų77.513%0.12836%0.362CS..THydrogen-bonded Turntrans-129.66-170.177.60000115.9A101 K114 C115C99-A101 PolarHBondContact O-N 3.38Å; C99-K114 HydrophobicContact CB-CD 4.25Å; C99-K114 HydrophobicContact CB-CG 4.36Å; C99-C115 HydrophobicContact CB-CB 4.02Å
100Y97.9Very high97Very high165 Ų16570.8 Ų70.865%0.64734%0.336SS*.  trans5814.7176.6-61-86000115.9I95 C96 R102I95-Y100 HydrophobicContact CG2-CD1 4.35Å; C96-Y100 WeakPolarHBondContact O-CA 3.43Å; C96-Y100 PolarHBondContact O-N 2.79Å; Y100-R102 PolarHBondContact O-N 3.49Å
101A98Very high97.2Very high14 Ų1474.5 Ų74.512%0.11634%0.343CS..  trans-62.1133.3176.600000111.4I95 C96 C99 L103 K112I95-A101 WeakPolarHBondContact CA-O 3.4Å; C96-A101 HydrophobicContact CB-CB 4.36Å; C96-A101 PolarHBondContact N-O 2.93Å; C99-A101 PolarHBondContact O-N 3.38Å; A101-L103 HydrophobicContact CB-CD2 4.48Å; A101-K112 HydrophobicContact CB-CG 3.82Å
102R97.6Very high97.4Very high131 Ų13177.9 Ų77.949%0.49436%0.357SS..EExtended strand (participates in β ladder)trans-75128.1168.7-166.7-174.7-64.4-177.14.3109.9K93 I95 Y100 R111K93-R102 HydrophobicContact CB-CG 3.87Å; K93-R102 HydrophobicContact CD-CG 4.39Å; K93-R102 HydrophobicContact CG-CG 3.91Å; I95-R102 HydrophobicContact CD1-CB 4.29Å; I95-R102 HydrophobicContact CD1-CG 4.32Å; Y100-R102 PolarHBondContact O-N 3.49Å; R102-R111 PolarHBondContact O-NH2 2.88Å
103L97.1Very high97.6Very high4 Ų485.2 Ų85.22%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-130.1156.9-172.4-60171.1000111.1K93 K94 C96 A101 A107 C110 R111 L121K93-L103 WeakPolarHBondContact CA-O 3.15Å; K93-L103 WeakPolarHBondContact CB-O 3.31Å; K94-L103 HydrophobicContact CB-CB 4.19Å; K94-L103 PolarHBondContact N-O 2.86Å; K94-L103 PolarHBondContact O-N 2.74Å; C96-L103 HydrophobicContact CB-CD1 4.37Å; A101-L103 HydrophobicContact CB-CD2 4.48Å; L103-A107 HydrophobicContact CB-CB 4Å; L103-A107 HydrophobicContact CD1-CB 4.47Å; L103-C110 HydrophobicContact CD1-CB 4.26Å; L103-R111 HydrophobicContact CD2-CB 4.33Å; L103-R111 HydrophobicContact CD2-CG 3.76Å; L103-L121 HydrophobicContact CD1-CD1 3.82Å; L103-L121 HydrophobicContact CD1-CD2 3.47Å; L103-L121 VanDerWaalsContact CD1-CD2 3.47Å; L103-L121 HydrophobicContact CD1-CG 4.27Å
104P96.6Very high97.6Very high76 Ų7691.1 Ų91.149%0.49441%0.405SS..  trans-53.9148.9168.7-23.333.1000111.9R106 A107P104-R106 PolarHBondContact O-N 3.41Å; P104-A107 VanDerWaalsContact O-CB 3.29Å; P104-A107 WeakPolarHBondContact O-CB 3.19Å; P104-A107 PolarHBondContact O-N 3.11Å; P104-A107 VanDerWaalsContact O-N 3.07Å
105P95.7Very high97.6Very high67 Ų6788.7 Ų88.744%0.43540%0.396SS..THydrogen-bonded Turntrans-61.7-30.1-178.223.4-32.3000112.8D92 K94D92-P105 WeakPolarHBondContact O-CD 3.48Å; K94-P105 WeakPolarHBondContact CD-O 3.33Å; K94-P105 WeakPolarHBondContact CE-O 3.44Å
106R96.3Very high97.6Very high235 Ų23590.9 Ų90.989%0.88742%0.422SS*.THydrogen-bonded Turntrans-87.95.2178-63.8-175.2-179.8175.1-0.8114.5P104 T108P104-R106 PolarHBondContact O-N 3.41Å; R106-T108 PolarHBondContact O-N 2.88Å
107A97.5Very high97.5Very high17 Ų1795.2 Ų95.214%0.1444%0.442CS..  trans-64.4135.1178.400000111.5K94 L103 P104 L121K94-A107 WeakPolarHBondContact CD-O 3.37Å; K94-A107 PolarHBondContact NZ-O 2.71Å; L103-A107 HydrophobicContact CB-CB 4Å; L103-A107 HydrophobicContact CD1-CB 4.47Å; P104-A107 VanDerWaalsContact O-CB 3.29Å; P104-A107 WeakPolarHBondContact O-CB 3.19Å; P104-A107 PolarHBondContact O-N 3.11Å; P104-A107 VanDerWaalsContact O-N 3.07Å; A107-L121 HydrophobicContact CB-CD1 4.15Å; A107-L121 WeakPolarHBondContact O-CD1 3.44Å
108T98Very high97.5Very high105 Ų10589.5 Ų89.564%0.64442%0.422SS*.SBendtrans-95.2-37.4170.848.70000111.3R106 N119 L121R106-T108 PolarHBondContact O-N 2.88Å; T108-N119 WeakPolarHBondContact O-CA 3.44Å; T108-L121 WeakPolarHBondContact O-CD1 3.36Å
109N98.3Very high97.5Very high83 Ų8388.9 Ų88.944%0.44443%0.425SS..SBendtrans-120.6153.4179.9-68.375000112.1H117N109-H117 WeakPolarHBondContact CB-O 3.41Å; N109-H117 PolarHBondContact ND2-O 3.05Å
110C98.4Very high97.5Very high1 Ų191.3 Ų91.31%0.00744%0.437CS..  trans-72.1133.8170.7-170.90000111.1C96 L103 K112 C115 H117 S118 L121C96-C110 HydrophobicContact CB-CB 4.04Å; L103-C110 HydrophobicContact CD1-CB 4.26Å; C110-K112 PolarHBondContact O-N 2.8Å; C110-K112 PolarHBondContact SG-N 3.05Å; C110-C115 WeakPolarHBondContact CB-SG 3.34Å; C110-H117 WeakPolarHBondContact O-CA 3.41Å; C110-H117 PolarHBondContact O-ND1 3.14Å; C110-H117 VanDerWaalsContact O-ND1 3.08Å; C110-S118 WeakPolarHBondContact CB-O 3.29Å; C110-S118 PolarHBondContact N-O 2.86Å; C110-L121 HydrophobicContact CB-CD2 4.12Å
111R97.5Very high97.5Very high168 Ų16884.7 Ų84.763%0.63441%0.413SS*.SBendtrans-69.6-6174.969.8-177.6168.9167.6-2.3115R102 L103R102-R111 PolarHBondContact O-NH2 2.88Å; L103-R111 HydrophobicContact CD2-CB 4.33Å; L103-R111 HydrophobicContact CD2-CG 3.76Å
112K98.1Very high97.5Very high92 Ų9286.7 Ų86.740%0.442%0.417SS..  trans-97121.8-171.8-64-60.8-173.7177.90111.4A101 C110 K114 C115A101-K112 HydrophobicContact CB-CG 3.82Å; C110-K112 PolarHBondContact O-N 2.8Å; C110-K112 PolarHBondContact SG-N 3.05Å; K112-K114 VanDerWaalsContact C-N 3.28Å; K112-K114 HydrophobicContact CB-CG 4.1Å; K112-K114 PolarHBondContact O-N 3.23Å; K112-C115 PolarHBondContact O-N 3.07Å; K112-C115 PolarHBondContact O-SG 3.48Å
113R97.3Very high97.4Very high223 Ų22385.1 Ų85.184%0.84242%0.424SS*.G310 helixtrans-57.5-36.8176-169176.7178.7-176.1-0.4113.1C115 G116R113-C115 PolarHBondContact O-N 3.35Å; R113-G116 PolarHBondContact O-N 2.89Å
114K97.6Very high97.4Very high167 Ų16787.9 Ų87.973%0.72644%0.436SS*.G310 helixtrans-57.6-16.5179.263.9164.5171.1168.90116.1C99 K112C99-K114 HydrophobicContact CB-CD 4.25Å; C99-K114 HydrophobicContact CB-CG 4.36Å; K112-K114 VanDerWaalsContact C-N 3.28Å; K112-K114 HydrophobicContact CB-CG 4.1Å; K112-K114 PolarHBondContact O-N 3.23Å
115C97.5Very high97.3Very high13 Ų1392.5 Ų92.59%0.08845%0.448CS..G310 helixtrans-11012.9175.171.70000113.2K98 C99 C110 K112 R113 H117 S118K98-C115 HydrophobicContact CB-CB 3.88Å; K98-C115 HydrophobicContact CD-CB 4.37Å; C99-C115 HydrophobicContact CB-CB 4.02Å; C110-C115 WeakPolarHBondContact CB-SG 3.34Å; K112-C115 PolarHBondContact O-N 3.07Å; K112-C115 PolarHBondContact O-SG 3.48Å; R113-C115 PolarHBondContact O-N 3.35Å; C115-H117 VanDerWaalsContact C-N 3.32Å; C115-H117 PolarHBondContact O-N 3.45Å; C115-S118 WeakPolarHBondContact O-CB 3.47Å; C115-S118 PolarHBondContact O-N 2.99Å
116G97.4Very high97Very high61 Ų6197 Ų9763%0.62946%0.461SS*.THydrogen-bonded Turntrans61.637.4-175.700000112.8R113 S118R113-G116 PolarHBondContact O-N 2.89Å; G116-S118 PolarHBondContact O-N 3.48Å
117H97.4Very high96.2Very high92 Ų9290.5 Ų90.543%0.42645%0.449SS..THydrogen-bonded Turntrans51.333.3-176.6-60.8-73.4000114.5N109 C110 C115 N119N109-H117 WeakPolarHBondContact CB-O 3.41Å; N109-H117 PolarHBondContact ND2-O 3.05Å; C110-H117 WeakPolarHBondContact O-CA 3.41Å; C110-H117 PolarHBondContact O-ND1 3.14Å; C110-H117 VanDerWaalsContact O-ND1 3.08Å; C115-H117 VanDerWaalsContact C-N 3.32Å; C115-H117 PolarHBondContact O-N 3.45Å; H117-N119 PolarHBondContact O-N 3.46Å
118S97.6Very high95.2Very high12 Ų12103 Ų1038%0.08450%0.501CS..  trans-51.8138.9-173.9-178.40000113.3K98 C110 C115 G116 N120K98-S118 WeakPolarHBondContact CE-OG 3.44Å; C110-S118 WeakPolarHBondContact CB-O 3.29Å; C110-S118 PolarHBondContact N-O 2.86Å; C115-S118 WeakPolarHBondContact O-CB 3.47Å; C115-S118 PolarHBondContact O-N 2.99Å; G116-S118 PolarHBondContact O-N 3.48Å; S118-N120 VanDerWaalsContact C-N 3.28Å; S118-N120 WeakPolarHBondContact OG-CB 3.41Å; S118-N120 PolarHBondContact OG-N 2.98Å; S118-N120 VanDerWaalsContact OG-N 3.11Å
119N97.8Very high95.1Very high121 Ų121103 Ų10365%0.64749%0.493SS*.  trans-81.5-0.9170.463.2-6.3000113.4T108 H117 L121T108-N119 WeakPolarHBondContact O-CA 3.44Å; H117-N119 PolarHBondContact O-N 3.46Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.32Å
120N98.1Very high94.9Very high71 Ų71104 Ų10438%0.3850%0.496SS..  trans-77.980.3179.1-166.9-2.3000110.7R97 S118R97-N120 WeakPolarHBondContact CB-O 3.45Å; R97-N120 WeakPolarHBondContact CD-OD1 2.95Å; R97-N120 PolarHBondContact N-O 2.86Å; R97-N120 PolarHBondContact NE-OD1 3.01Å; S118-N120 VanDerWaalsContact C-N 3.28Å; S118-N120 WeakPolarHBondContact OG-CB 3.41Å; S118-N120 PolarHBondContact OG-N 2.98Å; S118-N120 VanDerWaalsContact OG-N 3.11Å
121L98.2Very high94.8Very high25 Ų25109.7 Ų109.713%0.13152%0.523CS..EExtended strand (participates in β ladder)trans-108.8158-177.6-51.7-173.3000111K94 I95 C96 L103 A107 T108 C110 N119K94-L121 HydrophobicContact CD-CB 4.28Å; K94-L121 HydrophobicContact CD-CD1 4.14Å; I95-L121 CarbonylContact O-C 3.48Å; I95-L121 WeakPolarHBondContact O-CA 3.46Å; C96-L121 HydrophobicContact CB-CD2 3.93Å; L103-L121 HydrophobicContact CD1-CD1 3.82Å; L103-L121 HydrophobicContact CD1-CD2 3.47Å; L103-L121 VanDerWaalsContact CD1-CD2 3.47Å; L103-L121 HydrophobicContact CD1-CG 4.27Å; A107-L121 HydrophobicContact CB-CD1 4.15Å; A107-L121 WeakPolarHBondContact O-CD1 3.44Å; T108-L121 WeakPolarHBondContact O-CD1 3.36Å; C110-L121 HydrophobicContact CB-CD2 4.12Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.32Å
122R97.1Very high94.6Very high57 Ų57106.3 Ų106.322%0.21552%0.517CS..EExtended strand (participates in β ladder)trans-137.6154.7171.364.2177.1-179.287.8-6.2111.2K94 I95 R97K94-R122 CarbonylContact C-O 3.57Å; K94-R122 VanDerWaalsContact CA-O 3.3Å; K94-R122 WeakPolarHBondContact CA-O 3.44Å; I95-R122 HydrophobicContact CB-CG 4.14Å; I95-R122 PolarHBondContact N-O 3.31Å; I95-R122 PolarHBondContact O-N 3.28Å; R97-R122 HydrophobicContact CG-CB 4.3Å; R97-R122 HydrophobicContact CG-CG 4.13Å
123P96.5Very high94.4Very high97 Ų97107.2 Ų107.263%0.6352%0.524SS*.EExtended strand (participates in β ladder)trans-57.6145.8165-22.534.1000111.4
124K96.5Very high94.2Very high63 Ų6399.5 Ų99.527%0.27450%0.503SS..PPolyproline II helixtrans-64136.4166.7-172.5178.3173.8-174.30108N90 K93 I95 K126N90-K124 PolarHBondContact O-NZ 3.17Å; K93-K124 HydrophobicContact CB-CB 4.45Å; K93-K124 VanDerWaalsContact O-CB 3.31Å; K93-K124 WeakPolarHBondContact O-CB 3.34Å; K93-K124 PolarHBondContact O-N 2.9Å; I95-K124 HydrophobicContact CD1-CB 4.21Å; I95-K124 HydrophobicContact CD1-CD 4.47Å; I95-K124 HydrophobicContact CD1-CG 4.24Å; I95-K124 HydrophobicContact CG1-CB 3.9Å; I95-K124 HydrophobicContact CG1-CG 4.2Å; K124-K126 PolarHBondContact O-N 3.08Å
125K94.4Very high93.9Very high173 Ų17394.6 Ų94.675%0.75249%0.487SS*.PPolyproline II helixtrans-64.8132177.3-69.2-175.6177.4-175.60108.5
126K88.6Confident93.7Very high161 Ų161100.9 Ų100.970%0.752%0.518SS*.PPolyproline II helixtrans-75.6141.8175.4-65.6-174.5177.8-173.40109.4V91 K124V91-K126 HydrophobicContact CG1-CG 4.03Å; K124-K126 PolarHBondContact O-N 3.08Å
127P81.1Confident93.3Very high99 Ų99104.3 Ų104.364%0.64351%0.508SS*.PPolyproline II helixtrans-61147.8166.527.3-31.1000109.3
128K76.8Confident93Very high280 Ų280105.4 Ų105.4100%1.21752%0.516SS*.  trans-74.90170.8-71.7-173.7176.7-1750109.7

Retrieved 128 of 128 residues in 218.3 ms (Link to these results)

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