A0A077YVM3_TRITR Loading...

Suppression of tumorigenicity 5 protein

AlphaFold DB , UniProt , Accession A0A077YVM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 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
1M31.3Very low49.4Very low239 Ų239124.6 Ų124.6100%1.17762%0.623SS**  0127.40-81.1161.169.300107.8E3M1-E3 PolarHBondContact O-N 2.82Å
2K33.6Very low52.5Low204 Ų204116.9 Ų116.989%0.88758%0.583SS**  trans-73.4114.6163.6-83.9-178.3174.6-179.40105.9I4K2-I4 PolarHBondContact O-N 3.18Å
3E35.3Very low55.3Low171 Ų171109.5 Ų109.580%0.79954%0.544SS*.  trans-54.1115.3168.4-94.5177.2149.800107.9M1 V5M1-E3 PolarHBondContact O-N 2.82Å; E3-V5 VanDerWaalsContact C-N 3.33Å; E3-V5 PolarHBondContact O-N 3.4Å; E3-V5 VanDerWaalsContact O-N 3.1Å
4I38.8Very low57.8Low164 Ų164101.9 Ų101.984%0.84151%0.507SS*.  trans-76.697.3169.4-59.5174.8000104.8K2 D6K2-I4 PolarHBondContact O-N 3.18Å; I4-D6 PolarHBondContact O-N 3.32Å
5V43.5Very low59.9Low48 Ų4895.3 Ų95.329%0.29147%0.474SS..  trans-64.5111.1170.3176.20000107E3 P7 Y67 T93E3-V5 VanDerWaalsContact C-N 3.33Å; E3-V5 PolarHBondContact O-N 3.4Å; E3-V5 VanDerWaalsContact O-N 3.1Å; V5-P7 WeakPolarHBondContact O-CD 3.48Å; V5-Y67 HydrophobicContact CG2-CD1 3.8Å; V5-Y67 HydrophobicContact CG2-CE1 3.63Å; V5-T93 VanDerWaalsContact CG1-CB 3.49Å; V5-T93 HydrophobicContact CG1-CG2 3.42Å; V5-T93 VanDerWaalsContact CG1-CG2 3.42Å; V5-T93 WeakPolarHBondContact CG1-OG1 3.4Å
6D44.6Very low61.9Low76 Ų7691.7 Ų91.741%0.40646%0.459SS..  trans-68.5111.8174.3-174.5-12.9000108.8I4 K8 N9I4-D6 PolarHBondContact O-N 3.32Å; D6-K8 PolarHBondContact O-N 3.02Å; D6-K8 WeakPolarHBondContact OD1-CB 3.47Å; D6-K8 PolarHBondContact OD1-N 2.77Å; D6-N9 PolarHBondContact O-N 2.99Å; D6-N9 VanDerWaalsContact O-N 3.16Å
7P46.3Very low63.6Low94 Ų9486.4 Ų86.461%0.6143%0.432SS*.THydrogen-bonded Turntrans-66.5-2-178.630-36.5000113.2V5 Q69V5-P7 WeakPolarHBondContact O-CD 3.48Å; P7-Q69 VanDerWaalsContact C-NE2 3.33Å; P7-Q69 PolarHBondContact O-NE2 2.92Å
8K50.6Low65.2Low182 Ų18281.8 Ų81.879%0.79141%0.41SS*.THydrogen-bonded Turntrans-91.3-10.6174.7-64.8-175.7177.1-178.50114.6D6D6-K8 PolarHBondContact O-N 3.02Å; D6-K8 WeakPolarHBondContact OD1-CB 3.47Å; D6-K8 PolarHBondContact OD1-N 2.77Å
9N66.1Low66.5Low112 Ų11277.5 Ų77.560%0.59939%0.388SS*.  trans-113.648-177.2-67.4-24.1000112.1D6D6-N9 PolarHBondContact O-N 2.99Å; D6-N9 VanDerWaalsContact O-N 3.16Å
10G69.9Low67.3Low4 Ų476.3 Ų76.34%0.04138%0.383CS..PPolyproline II helixtrans-64.7137.6174.500000112.1
11N83.3Confident68.1Low77 Ų7778.2 Ų78.241%0.41240%0.395SS..EExtended strand (participates in β ladder)trans-81138.5164.9-63.9-52.9000108.8Y13 E91 T92N11-Y13 HydrophobicContact CB-CD2 4.22Å; N11-Y13 HydrophobicContact CB-CE2 3.44Å; N11-Y13 VanDerWaalsContact CB-CE2 3.44Å; N11-E91 WeakPolarHBondContact O-CA 3.49Å; N11-T92 WeakPolarHBondContact CA-O 3.43Å; N11-T92 WeakPolarHBondContact CB-O 3.41Å; N11-T92 PolarHBondContact N-O 3.43Å; N11-T92 PolarHBondContact O-N 3.47Å
12F86.8Confident70.6Confident32 Ų3270.1 Ų70.114%0.1435%0.351CS..EExtended strand (participates in β ladder)trans-92.4129.4171.8-67.3-79.8000109.6V89 E91 G126 M128 Y131F12-V89 HydrophobicContact CD1-CG1 4.28Å; F12-E91 HydrophobicContact CD1-CB 4.09Å; F12-E91 HydrophobicContact CD1-CG 3.93Å; F12-E91 HydrophobicContact CE1-CB 3.82Å; F12-E91 VanDerWaalsContact CE1-CD 3.49Å; F12-E91 HydrophobicContact CE1-CG 3.45Å; F12-E91 VanDerWaalsContact CE1-CG 3.45Å; F12-E91 WeakPolarHBondContact CE1-OE2 3.37Å; F12-E91 HydrophobicContact CE2-CG 4.43Å; F12-E91 VanDerWaalsContact CZ-CD 3.46Å; F12-E91 HydrophobicContact CZ-CG 3.74Å; F12-G126 WeakPolarHBondContact O-CA 3.29Å; F12-G126 PolarHBondContact O-N 2.87Å; F12-M128 HydrophobicContact CD2-CG 3.92Å; F12-M128 HydrophobicContact CE2-CG 4.06Å; F12-Y131 HydrophobicContact CD1-CE1 4.24Å; F12-Y131 HydrophobicContact CE1-CD1 4.33Å; F12-Y131 AromaticContact CE1-CE1 3.61Å; F12-Y131 HydrophobicContact CE1-CE1 3.61Å; F12-Y131 HydrophobicContact CZ-CE1 4.21Å
13Y89.1Confident73.2Confident21 Ų2165.7 Ų65.78%0.08234%0.338CS..EExtended strand (participates in β ladder)trans-125.9151.5171.7-60.8-79.4000110.6N11 V89 I90 T92 L94 E96 L99 I123 T124N11-Y13 HydrophobicContact CB-CD2 4.22Å; N11-Y13 HydrophobicContact CB-CE2 3.44Å; N11-Y13 VanDerWaalsContact CB-CE2 3.44Å; Y13-V89 WeakPolarHBondContact O-CA 3.38Å; Y13-I90 PolarHBondContact N-O 3.04Å; Y13-I90 PolarHBondContact O-N 3.17Å; Y13-T92 HydrophobicContact CD2-CG2 3.78Å; Y13-T92 HydrophobicContact CE2-CG2 3.95Å; Y13-L94 WeakPolarHBondContact CE2-O 2.92Å; Y13-L94 PolarHBondContact OH-O 3.16Å; Y13-E96 HydrophobicContact CE1-CB 3.78Å; Y13-E96 HydrophobicContact CE1-CG 4.23Å; Y13-E96 PolarHBondContact OH-N 3.41Å; Y13-L99 HydrophobicContact CD2-CD2 3.79Å; Y13-L99 HydrophobicContact CG-CD2 3.87Å; Y13-I123 HydrophobicContact CD1-CG2 3.81Å; Y13-I123 HydrophobicContact CG-CG2 4.13Å; Y13-T124 WeakPolarHBondContact CA-O 3.34Å
14C89.4Confident75.9Confident3 Ų359.1 Ų59.12%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-108.2123171.9-870000109.5I123 T124 C133C14-I123 CarbonylContact O-C 3.55Å; C14-I123 VanDerWaalsContact O-CA 3.29Å; C14-I123 WeakPolarHBondContact O-CA 3.49Å; C14-T124 WeakPolarHBondContact CB-OG1 3.39Å; C14-T124 PolarHBondContact N-O 2.78Å; C14-T124 PolarHBondContact O-N 2.69Å; C14-C133 VanDerWaalsContact CA-SG 3.53Å; C14-C133 HydrophobicContact CB-CB 3.63Å; C14-C133 WeakPolarHBondContact CB-SG 3.32Å; C14-C133 WeakPolarHBondContact SG-CA 3.18Å; C14-C133 WeakPolarHBondContact SG-CB 3.37Å; C14-C133 PolarHBondContact SG-N 3.39Å; C14-C133 VanDerWaalsContact SG-N 3.37Å; C14-C133 CovalentContact SG-SG 2.04Å; C14-C133 PolarHBondContact SG-SG 3.06Å
15I90.4Very high78.4Confident2 Ų254.4 Ų54.41%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-104.2116.2173.5-56.1169.3000106.8V50 I88 I90 L103 R122 I123I15-V50 HydrophobicContact CD1-CG1 4.43Å; I15-I88 HydrophobicContact CB-CB 4.19Å; I15-I88 PolarHBondContact N-O 3Å; I15-I88 PolarHBondContact O-N 2.74Å; I15-I90 HydrophobicContact CD1-CB 4.18Å; I15-I90 HydrophobicContact CD1-CD1 4.21Å; I15-I90 HydrophobicContact CD1-CG2 3.76Å; I15-I90 HydrophobicContact CG1-CG2 4.09Å; I15-L103 HydrophobicContact CB-CD1 4.24Å; I15-L103 HydrophobicContact CD1-CD1 3.77Å; I15-L103 HydrophobicContact CD1-CD2 3.99Å; I15-L103 HydrophobicContact CD1-CG 4.39Å; I15-L103 HydrophobicContact CG1-CD1 3.72Å; I15-L103 HydrophobicContact CG2-CD1 3.59Å; I15-L103 HydrophobicContact CG2-CD2 4.42Å; I15-R122 WeakPolarHBondContact CA-O 3.2Å; I15-I123 HydrophobicContact CG1-CG1 4.46Å
16T91.5Very high80.8Confident38 Ų3855.3 Ų55.323%0.23329%0.291CS..EExtended strand (participates in β ladder)trans-105.4124.7168.4-62.10000108R85 V86 N87 S121 R122T16-R85 HydrophobicContact CG2-CG 3.75Å; T16-V86 WeakPolarHBondContact CA-O 3.26Å; T16-N87 WeakPolarHBondContact CG2-OD1 3.26Å; T16-N87 PolarHBondContact OG1-OD1 3.44Å; T16-S121 CarbonylContact O-C 3.59Å; T16-S121 VanDerWaalsContact O-CA 3.32Å; T16-S121 WeakPolarHBondContact O-CA 3.46Å; T16-R122 PolarHBondContact N-O 2.77Å; T16-R122 PolarHBondContact O-N 3.01Å
17T91.6Very high83.1Confident1 Ų158.7 Ų58.71%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-137.3159.6179.1-176.10000109.6R85 V86 I88 F118 T119 S121T17-R85 CarbonylContact O-C 3.54Å; T17-R85 WeakPolarHBondContact O-CA 3.3Å; T17-V86 HydrophobicContact CG2-CB 3.99Å; T17-V86 HydrophobicContact CG2-CG2 4.48Å; T17-V86 PolarHBondContact N-O 2.94Å; T17-V86 PolarHBondContact O-N 3.2Å; T17-I88 HydrophobicContact CG2-CD1 4.35Å; T17-F118 HydrophobicContact CG2-CD1 3.63Å; T17-F118 HydrophobicContact CG2-CE1 4.01Å; T17-T119 PolarHBondContact OG1-O 3.29Å; T17-T119 VanDerWaalsContact OG1-O 3.14Å; T17-S121 PolarHBondContact OG1-OG 3.01Å
18V91.4Very high85.3Confident4 Ų455 Ų552%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-109.2133.9172.3-179.90000108.9A83 V84 R117 T119 Q120V18-A83 HydrophobicContact CG1-CB 3.53Å; V18-V84 CarbonylContact C-O 3.54Å; V18-V84 WeakPolarHBondContact CA-O 3.38Å; V18-R117 VanDerWaalsContact O-O 3.1Å; V18-T119 PolarHBondContact N-O 3.25Å; V18-T119 PolarHBondContact O-N 3Å; V18-T119 PolarHBondContact O-OG1 3.48Å; V18-Q120 HydrophobicContact CG2-CB 4.31Å
19L89.9Confident87.3Confident1 Ų146.4 Ų46.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-89.6110.3168-49.6-179.5000107.9I46 V84 V86 Y116 R117 F118L19-I46 HydrophobicContact CD1-CD1 3.9Å; L19-V84 HydrophobicContact CB-CB 4.1Å; L19-V84 HydrophobicContact CD1-CB 4.17Å; L19-V84 HydrophobicContact CD1-CG1 4.11Å; L19-V84 HydrophobicContact CG-CB 4.28Å; L19-V84 HydrophobicContact CG-CG1 4.48Å; L19-V84 PolarHBondContact N-O 2.67Å; L19-V84 PolarHBondContact O-N 2.87Å; L19-V86 HydrophobicContact CD1-CG2 3.74Å; L19-V86 HydrophobicContact CD2-CG2 4.01Å; L19-V86 HydrophobicContact CG-CG2 3.58Å; L19-Y116 HydrophobicContact CD1-CG 4.34Å; L19-Y116 HydrophobicContact CD2-CD2 3.77Å; L19-Y116 HydrophobicContact CD2-CE2 4.27Å; L19-Y116 HydrophobicContact CD2-CG 4.21Å; L19-R117 CarbonylContact C-O 3.57Å; L19-R117 VanDerWaalsContact CA-O 3.32Å; L19-R117 WeakPolarHBondContact CA-O 3.02Å; L19-F118 HydrophobicContact CD2-CD1 3.73Å; L19-F118 HydrophobicContact CD2-CE1 3.63Å; L19-F118 HydrophobicContact CD2-CZ 4.35Å
20N83.4Confident88.6Confident53 Ų5343.8 Ų43.828%0.28323%0.228SC..EExtended strand (participates in β ladder)trans-85.6162167.4-78.4-7.4000110.2Y22 Y116 R117 T119N20-Y22 PolarHBondContact O-N 3.46Å; N20-Y22 VanDerWaalsContact O-N 3.15Å; N20-Y116 WeakPolarHBondContact O-CA 3.37Å; N20-R117 HydrophobicContact CB-CB 4.43Å; N20-R117 PolarHBondContact N-O 3.22Å; N20-R117 PolarHBondContact O-N 3.2Å; N20-T119 HydrophobicContact CB-CG2 4.37Å; N20-T119 WeakPolarHBondContact ND2-CG2 3.44Å; N20-T119 PolarHBondContact ND2-OG1 3.15Å
21D82.6Confident89.5Confident117 Ų11745.9 Ų45.963%0.62624%0.238SC*.EExtended strand (participates in β ladder)trans64.111.6-179.7-50.8-40.3000113.8R117D21-R117 IonicContact OD2-CZ 2.61Å; D21-R117 IonicContact OD2-NE 2.83Å; D21-R117 IonicContact OD2-NH1 2.82Å; D21-R117 PolarHBondContact OD2-NH1 2.98Å
22Y85.2Confident90Very high68 Ų6846.1 Ų46.127%0.26725%0.246SC..EExtended strand (participates in β ladder)trans-136.3115.1173.4-169.6-82.3000110N20 L29 V84N20-Y22 PolarHBondContact O-N 3.46Å; N20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-L29 HydrophobicContact CD1-CD1 4.44Å; Y22-L29 HydrophobicContact CE1-CD1 3.77Å; Y22-V84 HydrophobicContact CD1-CG2 3.88Å; Y22-V84 HydrophobicContact CE1-CG2 4.45Å
23D88.2Confident90.3Very high112 Ų11247.3 Ų47.360%0.59925%0.252SS*.EExtended strand (participates in β ladder)trans-75.6143.4-179.6-81.1-47.2000112.4N25 N82D23-N25 PolarHBondContact O-N 2.92Å; D23-N82 PolarHBondContact OD1-ND2 3.48Å
24Y90.6Very high90.5Very high33 Ų3349.9 Ų49.913%0.12926%0.263CS..  trans-63.3123.4172.4-174.2-95.3000111.3L29 F76 Q78 N82 V84Y24-L29 HydrophobicContact CD2-CB 4.21Å; Y24-L29 HydrophobicContact CD2-CD1 4.13Å; Y24-L29 HydrophobicContact CE2-CB 3.79Å; Y24-F76 HydrophobicContact CE2-CB 4.16Å; Y24-Q78 HydrophobicContact CD1-CB 3.74Å; Y24-Q78 HydrophobicContact CD1-CG 4.02Å; Y24-Q78 HydrophobicContact CD2-CB 4.22Å; Y24-Q78 HydrophobicContact CE1-CB 4.12Å; Y24-Q78 HydrophobicContact CG-CB 3.78Å; Y24-Q78 HydrophobicContact CG-CG 4.08Å; Y24-N82 WeakPolarHBondContact CB-O 3.44Å; Y24-N82 PolarHBondContact N-O 3.46Å; Y24-V84 HydrophobicContact CD2-CG1 4.41Å; Y24-V84 HydrophobicContact CD2-CG2 4.12Å; Y24-V84 HydrophobicContact CG-CG2 4.5Å
25N92.8Very high90.7Very high64 Ų6456.6 Ų56.634%0.34229%0.294SS..  trans-118.1106.2173.8-176-19.8000110.2D23 Q27 V28 L29D23-N25 PolarHBondContact O-N 2.92Å; N25-Q27 PolarHBondContact O-N 2.87Å; N25-Q27 VanDerWaalsContact OD1-CB 3.3Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.36Å; N25-Q27 PolarHBondContact OD1-N 3.23Å; N25-V28 HydrophobicContact CB-CB 4.48Å; N25-V28 HydrophobicContact CB-CG2 4.49Å; N25-V28 PolarHBondContact O-N 3.31Å; N25-L29 PolarHBondContact O-N 3.44Å
26S92.9Very high90.8Very high68 Ų6860.7 Ų60.748%0.47631%0.313SS..Hα-helixtrans-64.1-21.8-179.161.50000114.1V28 D30S26-V28 PolarHBondContact O-N 2.94Å; S26-D30 WeakPolarHBondContact O-CB 3.4Å
27Q92.9Very high91Very high147 Ų14766 Ų6669%0.68734%0.34SS*.Hα-helixtrans-70.2-19.9175.1-58.1-173.8-11.100112N25 K33N25-Q27 PolarHBondContact O-N 2.87Å; N25-Q27 VanDerWaalsContact OD1-CB 3.3Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.36Å; N25-Q27 PolarHBondContact OD1-N 3.23Å; Q27-K33 WeakPolarHBondContact O-CE 3.05Å
28V92.4Very high91Very high17 Ų1771 Ų7110%0.10337%0.365CS..Hα-helixtrans-115.4-45.6-174.5-179.40000112.6N25 S26 K33 L38 Y39 I42N25-V28 HydrophobicContact CB-CB 4.48Å; N25-V28 HydrophobicContact CB-CG2 4.49Å; N25-V28 PolarHBondContact O-N 3.31Å; S26-V28 PolarHBondContact O-N 2.94Å; V28-K33 WeakPolarHBondContact O-CB 3.28Å; V28-L38 HydrophobicContact CB-CD2 4.24Å; V28-L38 HydrophobicContact CG1-CB 4.21Å; V28-L38 HydrophobicContact CG1-CD2 3.49Å; V28-L38 VanDerWaalsContact CG1-CD2 3.49Å; V28-L38 HydrophobicContact CG1-CG 3.55Å; V28-L38 HydrophobicContact CG2-CD2 3.68Å; V28-Y39 WeakPolarHBondContact O-CD2 3.32Å; V28-I42 HydrophobicContact CG1-CD1 3.73Å
29L93.6Very high91.1Very high0 Ų071.1 Ų71.10%037%0.365CS..Hα-helixtrans-100.8-4.6-166.5-66.5-175.6000114.7Y22 Y24 N25 Y39 I42 F76 V84Y22-L29 HydrophobicContact CD1-CD1 4.44Å; Y22-L29 HydrophobicContact CE1-CD1 3.77Å; Y24-L29 HydrophobicContact CD2-CB 4.21Å; Y24-L29 HydrophobicContact CD2-CD1 4.13Å; Y24-L29 HydrophobicContact CE2-CB 3.79Å; N25-L29 PolarHBondContact O-N 3.44Å; L29-Y39 WeakPolarHBondContact O-CE2 3.25Å; L29-I42 HydrophobicContact CD2-CB 4.45Å; L29-I42 HydrophobicContact CD2-CD1 3.65Å; L29-I42 HydrophobicContact CD2-CG2 4.16Å; L29-F76 HydrophobicContact CB-CB 3.93Å; L29-F76 HydrophobicContact CB-CD2 4.2Å; L29-F76 HydrophobicContact CB-CG 4.1Å; L29-F76 HydrophobicContact CD1-CB 4.49Å; L29-F76 HydrophobicContact CD1-CD1 4.41Å; L29-F76 HydrophobicContact CD1-CG 4.43Å; L29-F76 HydrophobicContact CD2-CD1 4.07Å; L29-F76 HydrophobicContact CD2-CD2 3.83Å; L29-F76 HydrophobicContact CD2-CE1 4.12Å; L29-F76 HydrophobicContact CD2-CE2 3.88Å; L29-F76 HydrophobicContact CD2-CG 3.93Å; L29-F76 HydrophobicContact CD2-CZ 4.03Å; L29-F76 HydrophobicContact CG-CG 4.39Å; L29-F76 WeakPolarHBondContact O-CB 3.35Å; L29-V84 HydrophobicContact CD1-CB 4.5Å; L29-V84 HydrophobicContact CD1-CG1 3.89Å; L29-V84 HydrophobicContact CD1-CG2 3.75Å
30D92.4Very high91.3Very high58 Ų5876.5 Ų76.531%0.3139%0.386SS..SBendtrans-63.3146.8177.4-173.7-82.6000111.4S26 S32 K33S26-D30 WeakPolarHBondContact O-CB 3.4Å; D30-S32 PolarHBondContact O-N 3.02Å; D30-S32 VanDerWaalsContact O-N 3.12Å; D30-S32 WeakPolarHBondContact OD1-CB 3.41Å; D30-S32 PolarHBondContact OD1-N 3.23Å; D30-S32 PolarHBondContact OD1-OG 2.75Å; D30-K33 HydrophobicContact CB-CG 4.13Å; D30-K33 WeakPolarHBondContact O-CA 3.39Å; D30-K33 VanDerWaalsContact O-CB 3.24Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 WeakPolarHBondContact O-CG 3.49Å; D30-K33 PolarHBondContact O-N 2.8Å
31D89.7Confident91.8Very high47 Ų4775.8 Ų75.825%0.25139%0.391SS..G310 helixtrans-58.5-28.8-178.5-79.23.7000112.6K33 K34 C75 R77D31-K33 PolarHBondContact O-N 2.86Å; D31-K33 VanDerWaalsContact O-N 3.16Å; D31-K34 WeakPolarHBondContact O-CB 3.38Å; D31-K34 WeakPolarHBondContact O-CD 3.45Å; D31-K34 WeakPolarHBondContact O-CG 3.44Å; D31-K34 PolarHBondContact O-N 3.21Å; D31-C75 WeakPolarHBondContact OD1-CB 3.02Å; D31-R77 IonicContact OD1-CZ 2.72Å; D31-R77 IonicContact OD1-NH1 3.89Å; D31-R77 PolarHBondContact OD1-NH1 2.82Å; D31-R77 IonicContact OD1-NH2 3.81Å; D31-R77 IonicContact OD2-CZ 3.47Å; D31-R77 VanDerWaalsContact OD2-CZ 3.31Å; D31-R77 IonicContact OD2-NH1 3.68Å; D31-R77 PolarHBondContact OD2-NH1 3.26Å; D31-R77 IonicContact OD2-NH2 3.01Å; D31-R77 PolarHBondContact OD2-NH2 3.16Å
32S93.2Very high92.2Very high83 Ų8371.3 Ų71.358%0.5837%0.367SS*.G310 helixtrans-61.8-18.1172.864.90000113.2D30D30-S32 PolarHBondContact O-N 3.02Å; D30-S32 VanDerWaalsContact O-N 3.12Å; D30-S32 WeakPolarHBondContact OD1-CB 3.41Å; D30-S32 PolarHBondContact OD1-N 3.23Å; D30-S32 PolarHBondContact OD1-OG 2.75Å
33K94Very high92.6Very high57 Ų5768.5 Ų68.525%0.24836%0.358CS..G310 helixtrans-934.2-178.7-48.2-53.1-175-168.40113.7Q27 V28 D30 D31 Q35 Q36 Y39Q27-K33 WeakPolarHBondContact O-CE 3.05Å; V28-K33 WeakPolarHBondContact O-CB 3.28Å; D30-K33 HydrophobicContact CB-CG 4.13Å; D30-K33 WeakPolarHBondContact O-CA 3.39Å; D30-K33 VanDerWaalsContact O-CB 3.24Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 WeakPolarHBondContact O-CG 3.49Å; D30-K33 PolarHBondContact O-N 2.8Å; D31-K33 PolarHBondContact O-N 2.86Å; D31-K33 VanDerWaalsContact O-N 3.16Å; K33-Q35 PolarHBondContact O-N 3.2Å; K33-Q36 HydrophobicContact CB-CG 4.28Å; K33-Q36 WeakPolarHBondContact O-CB 3.5Å; K33-Q36 PolarHBondContact O-N 2.86Å; K33-Y39 HydrophobicContact CB-CD2 4.03Å; K33-Y39 WeakPolarHBondContact O-CB 3.22Å
34K92.5Very high92.8Very high74 Ų7469.4 Ų69.432%0.32236%0.357SS..THydrogen-bonded Turntrans-51-25.7179.1-80.7173.5178-1760115.3D31 Y39 R40 Q74D31-K34 WeakPolarHBondContact O-CB 3.38Å; D31-K34 WeakPolarHBondContact O-CD 3.45Å; D31-K34 WeakPolarHBondContact O-CG 3.44Å; D31-K34 PolarHBondContact O-N 3.21Å; K34-Y39 HydrophobicContact CB-CE1 4.34Å; K34-Y39 WeakPolarHBondContact CE-OH 3.5Å; K34-Y39 HydrophobicContact CG-CD1 4.3Å; K34-Y39 HydrophobicContact CG-CE1 3.66Å; K34-Y39 HydrophobicContact CG-CE2 4.01Å; K34-Y39 VanDerWaalsContact CG-CZ 3.5Å; K34-R40 WeakPolarHBondContact O-CG 3.41Å; K34-R40 PolarHBondContact O-NE 3.03Å; K34-R40 VanDerWaalsContact O-NE 3.12Å; K34-Q74 WeakPolarHBondContact CE-O 3.27Å; K34-Q74 PolarHBondContact NZ-O 2.79Å
35Q92.7Very high92.8Very high144 Ų14469.9 Ų69.967%0.67337%0.367SS*.THydrogen-bonded Turntrans-86.4-14.7177.8-55.7-56.7-25.400113.8K33K33-Q35 PolarHBondContact O-N 3.2Å
36Q94.3Very high92.6Very high89 Ų8966.8 Ų66.842%0.41635%0.351SS..SBendtrans-77.8145.3-178.7-60.1-167.8-10.200111.8K33 L38 Y39 R40K33-Q36 HydrophobicContact CB-CG 4.28Å; K33-Q36 WeakPolarHBondContact O-CB 3.5Å; K33-Q36 PolarHBondContact O-N 2.86Å; Q36-L38 VanDerWaalsContact C-N 3.32Å; Q36-L38 PolarHBondContact O-N 3.02Å; Q36-Y39 PolarHBondContact O-N 3.27Å; Q36-R40 WeakPolarHBondContact O-CG 3.41Å; Q36-R40 PolarHBondContact O-N 3.35Å
37L94.2Very high92.5Very high150 Ų15064.5 Ų64.579%0.78533%0.332SS*.Hα-helixtrans-59.7-40.9-178.6-72.4172.1000112.4R40 G41L37-R40 PolarHBondContact O-N 2.69Å; L37-G41 PolarHBondContact O-N 2.66Å
38L92.1Very high92.3Very high104 Ų10464.3 Ų64.355%0.54533%0.326SS..Hα-helixtrans-67.1-45.5-176.6-171.259.9000112.1V28 Q36 R40 G41 I42V28-L38 HydrophobicContact CB-CD2 4.24Å; V28-L38 HydrophobicContact CG1-CB 4.21Å; V28-L38 HydrophobicContact CG1-CD2 3.49Å; V28-L38 VanDerWaalsContact CG1-CD2 3.49Å; V28-L38 HydrophobicContact CG1-CG 3.55Å; V28-L38 HydrophobicContact CG2-CD2 3.68Å; Q36-L38 VanDerWaalsContact C-N 3.32Å; Q36-L38 PolarHBondContact O-N 3.02Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.46Å; L38-G41 PolarHBondContact O-N 3.18Å; L38-I42 HydrophobicContact CG-CD1 4.46Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 3.05Å
39Y94.1Very high92Very high7 Ų765.4 Ų65.43%0.02733%0.332CS..Hα-helixtrans-54-49.9172.3-178.7-72.8000110.7V28 L29 K33 K34 Q36 G41 I42 A43 F76V28-Y39 WeakPolarHBondContact O-CD2 3.32Å; L29-Y39 WeakPolarHBondContact O-CE2 3.25Å; K33-Y39 HydrophobicContact CB-CD2 4.03Å; K33-Y39 WeakPolarHBondContact O-CB 3.22Å; K34-Y39 HydrophobicContact CB-CE1 4.34Å; K34-Y39 WeakPolarHBondContact CE-OH 3.5Å; K34-Y39 HydrophobicContact CG-CD1 4.3Å; K34-Y39 HydrophobicContact CG-CE1 3.66Å; K34-Y39 HydrophobicContact CG-CE2 4.01Å; K34-Y39 VanDerWaalsContact CG-CZ 3.5Å; Q36-Y39 PolarHBondContact O-N 3.27Å; Y39-G41 VanDerWaalsContact C-N 3.31Å; Y39-G41 PolarHBondContact O-N 3.19Å; Y39-I42 PolarHBondContact O-N 2.84Å; Y39-A43 HydrophobicContact CE1-CB 4.42Å; Y39-A43 WeakPolarHBondContact O-CB 3.2Å; Y39-A43 PolarHBondContact O-N 3.32Å; Y39-F76 HydrophobicContact CD1-CE2 4.27Å; Y39-F76 HydrophobicContact CD2-CD2 4.08Å; Y39-F76 HydrophobicContact CD2-CE2 4.01Å; Y39-F76 HydrophobicContact CE1-CD2 4.38Å; Y39-F76 AromaticContact CE1-CE2 3.81Å; Y39-F76 HydrophobicContact CE1-CE2 3.81Å; Y39-F76 AromaticContact CE2-CD2 3.39Å; Y39-F76 HydrophobicContact CE2-CD2 3.39Å; Y39-F76 AromaticContact CE2-CE2 3.57Å; Y39-F76 HydrophobicContact CE2-CE2 3.57Å; Y39-F76 HydrophobicContact CG-CE2 4.34Å; Y39-F76 AromaticContact CZ-CD2 3.54Å; Y39-F76 AromaticContact CZ-CE2 3.42Å; Y39-F76 VanDerWaalsContact CZ-CE2 3.42Å
40R94.3Very high91.7Very high114 Ų11465.4 Ų65.443%0.4333%0.332SS..Hα-helixtrans-64.2-36.6-178.7-69.5173.7175.4-167.90.3112K34 Q36 L37 L38 A43 K44K34-R40 WeakPolarHBondContact O-CG 3.41Å; K34-R40 PolarHBondContact O-NE 3.03Å; K34-R40 VanDerWaalsContact O-NE 3.12Å; Q36-R40 WeakPolarHBondContact O-CG 3.41Å; Q36-R40 PolarHBondContact O-N 3.35Å; L37-R40 PolarHBondContact O-N 2.69Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.46Å; R40-A43 PolarHBondContact O-N 2.82Å; R40-K44 WeakPolarHBondContact O-CB 3.49Å; R40-K44 VanDerWaalsContact O-CG 3.24Å; R40-K44 WeakPolarHBondContact O-CG 3.39Å; R40-K44 PolarHBondContact O-N 3.23Å
41G93.2Very high91.5Very high39 Ų3964.7 Ų64.740%0.40233%0.328SS..Hα-helixtrans-61.1-50.2175.400000111.9L37 L38 Y39 A43 K44 A45L37-G41 PolarHBondContact O-N 2.66Å; L38-G41 PolarHBondContact O-N 3.18Å; Y39-G41 VanDerWaalsContact C-N 3.31Å; Y39-G41 PolarHBondContact O-N 3.19Å; G41-A43 PolarHBondContact O-N 3.2Å; G41-K44 PolarHBondContact O-N 3.43Å; G41-A45 PolarHBondContact O-N 3.44Å
42I91.2Very high91.3Very high22 Ų2264.3 Ų64.311%0.11333%0.325CS..Hα-helixtrans-62.3-45.8177.3-62.1169000110.5V28 L29 L38 Y39 K44 A45 I46 F76V28-I42 HydrophobicContact CG1-CD1 3.73Å; L29-I42 HydrophobicContact CD2-CB 4.45Å; L29-I42 HydrophobicContact CD2-CD1 3.65Å; L29-I42 HydrophobicContact CD2-CG2 4.16Å; L38-I42 HydrophobicContact CG-CD1 4.46Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 3.05Å; Y39-I42 PolarHBondContact O-N 2.84Å; I42-K44 VanDerWaalsContact C-N 3.31Å; I42-K44 PolarHBondContact O-N 3.3Å; I42-A45 PolarHBondContact O-N 2.71Å; I42-I46 HydrophobicContact CG2-CD1 3.99Å; I42-I46 WeakPolarHBondContact O-CG1 3.46Å; I42-I46 PolarHBondContact O-N 2.77Å; I42-F76 HydrophobicContact CB-CZ 4.44Å; I42-F76 HydrophobicContact CG2-CE1 4.02Å; I42-F76 HydrophobicContact CG2-CZ 3.88Å
43A93.1Very high90.9Very high9 Ų960.5 Ų60.57%0.07430%0.299CS..Hα-helixtrans-56.6-45.3175.900000111.6Y39 R40 G41 I46 Q47 V73 F76Y39-A43 HydrophobicContact CE1-CB 4.42Å; Y39-A43 WeakPolarHBondContact O-CB 3.2Å; Y39-A43 PolarHBondContact O-N 3.32Å; R40-A43 PolarHBondContact O-N 2.82Å; G41-A43 PolarHBondContact O-N 3.2Å; A43-I46 PolarHBondContact O-N 2.78Å; A43-Q47 VanDerWaalsContact O-CG 3.26Å; A43-Q47 WeakPolarHBondContact O-CG 3.47Å; A43-Q47 PolarHBondContact O-N 3.33Å; A43-V73 HydrophobicContact CB-CB 3.92Å; A43-V73 HydrophobicContact CB-CG1 4.43Å; A43-V73 HydrophobicContact CB-CG2 4.1Å; A43-F76 HydrophobicContact CB-CZ 4.35Å
44K92.6Very high90.6Very high132 Ų13257.9 Ų57.957%0.57429%0.288SS*.Hα-helixtrans-67.5-37.1179-74.5-72170.6-156.30113.4R40 G41 I42 Q47 Y48R40-K44 WeakPolarHBondContact O-CB 3.49Å; R40-K44 VanDerWaalsContact O-CG 3.24Å; R40-K44 WeakPolarHBondContact O-CG 3.39Å; R40-K44 PolarHBondContact O-N 3.23Å; G41-K44 PolarHBondContact O-N 3.43Å; I42-K44 VanDerWaalsContact C-N 3.31Å; I42-K44 PolarHBondContact O-N 3.3Å; K44-Q47 PolarHBondContact O-N 2.77Å; K44-Y48 WeakPolarHBondContact O-CB 3.32Å; K44-Y48 PolarHBondContact O-N 2.62Å
45A89.9Confident90.4Very high42 Ų4259.1 Ų59.135%0.34730%0.296SS..Hα-helixtrans-59.8-47.5173.800000110.9G41 I42 Q47 Y48 D49G41-A45 PolarHBondContact O-N 3.44Å; I42-A45 PolarHBondContact O-N 2.71Å; A45-Q47 PolarHBondContact O-N 3.14Å; A45-Y48 WeakPolarHBondContact O-CB 3.26Å; A45-Y48 PolarHBondContact O-N 2.8Å; A45-Y48 VanDerWaalsContact O-N 3.11Å; A45-D49 PolarHBondContact O-N 3.01Å
46I90.1Very high90.1Very high0 Ų056.8 Ų56.80%029%0.285CS..Hα-helixtrans-61.3-44176.6-69.7165.4000111.7L19 I42 A43 Y48 D49 V50 V73 F76 V86 I88 Y116 F118L19-I46 HydrophobicContact CD1-CD1 3.9Å; I42-I46 HydrophobicContact CG2-CD1 3.99Å; I42-I46 WeakPolarHBondContact O-CG1 3.46Å; I42-I46 PolarHBondContact O-N 2.77Å; A43-I46 PolarHBondContact O-N 2.78Å; I46-Y48 VanDerWaalsContact C-N 3.27Å; I46-Y48 PolarHBondContact O-N 2.88Å; I46-D49 PolarHBondContact O-N 3.07Å; I46-V50 WeakPolarHBondContact O-CG2 3.47Å; I46-V50 PolarHBondContact O-N 2.59Å; I46-V50 VanDerWaalsContact O-N 3.07Å; I46-V73 HydrophobicContact CB-CG2 4.2Å; I46-V73 HydrophobicContact CG2-CG2 3.91Å; I46-F76 HydrophobicContact CD1-CE1 3.57Å; I46-F76 HydrophobicContact CD1-CZ 4.12Å; I46-V86 HydrophobicContact CD1-CG1 4.25Å; I46-V86 HydrophobicContact CD1-CG2 4.25Å; I46-I88 HydrophobicContact CG2-CD1 3.47Å; I46-I88 VanDerWaalsContact CG2-CD1 3.47Å; I46-I88 HydrophobicContact CG2-CG1 4.3Å; I46-Y116 HydrophobicContact CG1-CE1 4.38Å; I46-Y116 HydrophobicContact CG1-CE2 4.32Å; I46-Y116 PolarHBondContact N-OH 3.29Å; I46-F118 HydrophobicContact CB-CZ 4.31Å; I46-F118 HydrophobicContact CG1-CE1 4.4Å; I46-F118 HydrophobicContact CG1-CZ 4.17Å; I46-F118 HydrophobicContact CG2-CE1 3.9Å; I46-F118 HydrophobicContact CG2-CZ 3.96Å
47Q90.3Very high89.7Confident19 Ų1953 Ų539%0.08927%0.269CS..Hα-helixtrans-60.6-38.7175.9-69-172.4-90.600112.3A43 K44 A45 L51 S71 V73A43-Q47 VanDerWaalsContact O-CG 3.26Å; A43-Q47 WeakPolarHBondContact O-CG 3.47Å; A43-Q47 PolarHBondContact O-N 3.33Å; K44-Q47 PolarHBondContact O-N 2.77Å; A45-Q47 PolarHBondContact O-N 3.14Å; Q47-L51 PolarHBondContact O-N 3.42Å; Q47-S71 WeakPolarHBondContact CG-OG 3.42Å; Q47-S71 PolarHBondContact NE2-O 2.89Å; Q47-S71 PolarHBondContact NE2-OG 2.93Å; Q47-V73 HydrophobicContact CG-CG2 4.12Å
48Y88.7Confident89.3Confident143 Ų14355.3 Ų55.356%0.56127%0.272SS*.Hα-helixtrans-65.2-45176.9176.7-97.9000111.1K44 A45 I46 V50 L51 N52K44-Y48 WeakPolarHBondContact O-CB 3.32Å; K44-Y48 PolarHBondContact O-N 2.62Å; A45-Y48 WeakPolarHBondContact O-CB 3.26Å; A45-Y48 PolarHBondContact O-N 2.8Å; A45-Y48 VanDerWaalsContact O-N 3.11Å; I46-Y48 VanDerWaalsContact C-N 3.27Å; I46-Y48 PolarHBondContact O-N 2.88Å; Y48-V50 VanDerWaalsContact C-N 3.34Å; Y48-V50 PolarHBondContact O-N 3.01Å; Y48-L51 CarbonylContact O-C 3.37Å; Y48-L51 PolarHBondContact O-N 2.61Å; Y48-L51 VanDerWaalsContact O-N 3.16Å; Y48-N52 HydrophobicContact CE1-CB 4.45Å; Y48-N52 WeakPolarHBondContact O-CB 3.33Å; Y48-N52 PolarHBondContact O-N 3.41Å
49D86.9Confident88.9Confident40 Ų4051.2 Ų51.221%0.21425%0.253CS..Hα-helixtrans-62.5-40.8178.7-66.5-22.6000112.1A45 I46 N52 A53 L106 Y116 F118A45-D49 PolarHBondContact O-N 3.01Å; I46-D49 PolarHBondContact O-N 3.07Å; D49-N52 PolarHBondContact O-N 2.95Å; D49-A53 WeakPolarHBondContact O-CB 3.24Å; D49-A53 PolarHBondContact O-N 3.21Å; D49-L106 HydrophobicContact CB-CD1 4.18Å; D49-L106 WeakPolarHBondContact O-CD1 3.35Å; D49-Y116 WeakPolarHBondContact OD2-CE2 3.42Å; D49-Y116 VanDerWaalsContact OD2-CZ 3.32Å; D49-Y116 PolarHBondContact OD2-OH 3.07Å; D49-F118 HydrophobicContact CB-CE2 3.63Å; D49-F118 HydrophobicContact CB-CZ 4.02Å
50V86.5Confident88.5Confident1 Ų156 Ų561%0.00629%0.285CS..Hα-helixtrans-61-46173.9172.10000110.9I15 I46 Y48 A53 L54 I88 I90 L106I15-V50 HydrophobicContact CD1-CG1 4.43Å; I46-V50 WeakPolarHBondContact O-CG2 3.47Å; I46-V50 PolarHBondContact O-N 2.59Å; I46-V50 VanDerWaalsContact O-N 3.07Å; Y48-V50 VanDerWaalsContact C-N 3.34Å; Y48-V50 PolarHBondContact O-N 3.01Å; V50-A53 PolarHBondContact O-N 3.35Å; V50-L54 WeakPolarHBondContact O-CG 3.45Å; V50-L54 PolarHBondContact O-N 3.03Å; V50-L54 VanDerWaalsContact O-N 3.11Å; V50-I88 HydrophobicContact CG2-CD1 3.95Å; V50-I90 HydrophobicContact CG1-CD1 4.13Å; V50-L106 HydrophobicContact CG2-CD2 4.18Å
51L87.4Confident88.1Confident43 Ų4351.9 Ų51.923%0.22527%0.272CS..Hα-helixtrans-63.3-42.7176.5178.259.7000111.4Q47 Y48 A53 L54 M55 Y68Q47-L51 PolarHBondContact O-N 3.42Å; Y48-L51 CarbonylContact O-C 3.37Å; Y48-L51 PolarHBondContact O-N 2.61Å; Y48-L51 VanDerWaalsContact O-N 3.16Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 3.44Å; L51-L54 WeakPolarHBondContact O-CB 3.22Å; L51-L54 PolarHBondContact O-N 3.43Å; L51-L54 VanDerWaalsContact O-N 3.15Å; L51-M55 HydrophobicContact CD1-CG 4.36Å; L51-M55 HydrophobicContact CG-CG 4.46Å; L51-M55 HydrophobicContact CG-SD 4.11Å; L51-M55 WeakPolarHBondContact O-CG 3.29Å; L51-M55 PolarHBondContact O-N 3.27Å; L51-Y68 HydrophobicContact CD1-CD1 3.68Å; L51-Y68 HydrophobicContact CD1-CD2 4.46Å; L51-Y68 HydrophobicContact CD1-CE1 3.91Å; L51-Y68 HydrophobicContact CD1-CG 3.95Å
52N85.8Confident87.7Confident38 Ų3853.5 Ų53.520%0.20328%0.282CS..Hα-helixtrans-64.6-40.5179.7-164.751.3000111.3Y48 D49 L54 M55 E56Y48-N52 HydrophobicContact CE1-CB 4.45Å; Y48-N52 WeakPolarHBondContact O-CB 3.33Å; Y48-N52 PolarHBondContact O-N 3.41Å; D49-N52 PolarHBondContact O-N 2.95Å; N52-L54 VanDerWaalsContact C-N 3.31Å; N52-L54 PolarHBondContact O-N 3.35Å; N52-M55 PolarHBondContact O-N 3.11Å; N52-E56 VanDerWaalsContact ND2-CD 3.34Å; N52-E56 PolarHBondContact ND2-OE1 3.36Å; N52-E56 WeakPolarHBondContact O-CB 3.33Å; N52-E56 PolarHBondContact O-N 3.05Å; N52-E56 PolarHBondContact OD1-OE1 3.49Å
53A84.5Confident87.3Confident3 Ų358.1 Ų58.13%0.02531%0.307CS..Hα-helixtrans-59.8-41.2172.700000112.1D49 V50 L51 S57 L106D49-A53 WeakPolarHBondContact O-CB 3.24Å; D49-A53 PolarHBondContact O-N 3.21Å; V50-A53 PolarHBondContact O-N 3.35Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 3.44Å; A53-S57 WeakPolarHBondContact O-CA 3.38Å; A53-S57 WeakPolarHBondContact O-CB 3.17Å; A53-S57 PolarHBondContact O-N 2.94Å; A53-L106 HydrophobicContact CB-CB 3.72Å; A53-L106 HydrophobicContact CB-CD1 3.62Å; A53-L106 HydrophobicContact CB-CG 4.21Å
54L88Confident87.1Confident2 Ų257.8 Ų57.81%0.0130%0.304CS..Hα-helixtrans-64.4-44.7174.4-69.9168.7000112.1V50 L51 N52 E56 S57 K64 Y68 I90 L94 L99 A102V50-L54 WeakPolarHBondContact O-CG 3.45Å; V50-L54 PolarHBondContact O-N 3.03Å; V50-L54 VanDerWaalsContact O-N 3.11Å; L51-L54 WeakPolarHBondContact O-CB 3.22Å; L51-L54 PolarHBondContact O-N 3.43Å; L51-L54 VanDerWaalsContact O-N 3.15Å; N52-L54 VanDerWaalsContact C-N 3.31Å; N52-L54 PolarHBondContact O-N 3.35Å; L54-E56 PolarHBondContact O-N 3.39Å; L54-S57 WeakPolarHBondContact O-CB 3.44Å; L54-S57 PolarHBondContact O-N 3.49Å; L54-K64 HydrophobicContact CB-CB 4.38Å; L54-K64 HydrophobicContact CD2-CB 4.31Å; L54-K64 HydrophobicContact CD2-CD 4.13Å; L54-K64 WeakPolarHBondContact O-CB 3.49Å; L54-Y68 HydrophobicContact CD1-CD2 3.61Å; L54-Y68 HydrophobicContact CD1-CE2 4.35Å; L54-Y68 HydrophobicContact CD1-CG 4.22Å; L54-I90 HydrophobicContact CD1-CD1 4.07Å; L54-L94 HydrophobicContact CD2-CD1 3.79Å; L54-L99 HydrophobicContact CD2-CD1 3.99Å; L54-A102 HydrophobicContact CD2-CB 3.66Å
55M87.8Confident86.8Confident100 Ų10054 Ų5449%0.49329%0.294SS..Hα-helixtrans-60.9-45-180-74176.161.400112.2L51 N52 S57 C65L51-M55 HydrophobicContact CD1-CG 4.36Å; L51-M55 HydrophobicContact CG-CG 4.46Å; L51-M55 HydrophobicContact CG-SD 4.11Å; L51-M55 WeakPolarHBondContact O-CG 3.29Å; L51-M55 PolarHBondContact O-N 3.27Å; N52-M55 PolarHBondContact O-N 3.11Å; M55-S57 VanDerWaalsContact C-N 3.28Å; M55-S57 PolarHBondContact O-N 2.96Å; M55-C65 HydrophobicContact CG-CB 3.85Å
56E86.5Confident86.7Confident95 Ų9558.2 Ų58.244%0.44431%0.306SS..THydrogen-bonded Turntrans-894.6-177.2-66.9177.1-175.500112.8N52 L54 K58 K109N52-E56 VanDerWaalsContact ND2-CD 3.34Å; N52-E56 PolarHBondContact ND2-OE1 3.36Å; N52-E56 WeakPolarHBondContact O-CB 3.33Å; N52-E56 PolarHBondContact O-N 3.05Å; N52-E56 PolarHBondContact OD1-OE1 3.49Å; L54-E56 PolarHBondContact O-N 3.39Å; E56-K58 PolarHBondContact O-N 3.26Å; E56-K109 VanDerWaalsContact OE2-CE 3.25Å; E56-K109 WeakPolarHBondContact OE2-CE 3.13Å; E56-K109 IonicContact OE2-NZ 3.31Å; E56-K109 PolarHBondContact OE2-NZ 3.46Å
57S86.5Confident86.6Confident11 Ų1160 Ų608%0.07731%0.313CS..  trans-70.1132.2-173.5-175.40000111.8A53 L54 M55 S59 K64 E105A53-S57 WeakPolarHBondContact O-CA 3.38Å; A53-S57 WeakPolarHBondContact O-CB 3.17Å; A53-S57 PolarHBondContact O-N 2.94Å; L54-S57 WeakPolarHBondContact O-CB 3.44Å; L54-S57 PolarHBondContact O-N 3.49Å; M55-S57 VanDerWaalsContact C-N 3.28Å; M55-S57 PolarHBondContact O-N 2.96Å; S57-S59 PolarHBondContact OG-OG 3.36Å; S57-S59 VanDerWaalsContact OG-OG 3.04Å; S57-K64 PolarHBondContact OG-NZ 3.06Å; S57-E105 WeakPolarHBondContact CA-OE2 3.33Å; S57-E105 VanDerWaalsContact CB-OE2 3.27Å; S57-E105 WeakPolarHBondContact CB-OE2 3.28Å; S57-E105 VanDerWaalsContact OG-CD 3.22Å; S57-E105 PolarHBondContact OG-OE1 2.82Å; S57-E105 PolarHBondContact OG-OE2 3.35Å
58K85.4Confident86.5Confident197 Ų19761.1 Ų61.186%0.85732%0.317SS*.  trans-92.6-17.2-177-65.1-174.6-177.9178.70113.6E56 E105E56-K58 PolarHBondContact O-N 3.26Å; K58-E105 PolarHBondContact N-OE2 2.78Å
59S84.9Confident86.5Confident19 Ų1957 Ų5713%0.13330%0.303CS..SBendtrans-66.1151.317641.10000111.6S57 P61 K64 E105S57-S59 PolarHBondContact OG-OG 3.36Å; S57-S59 VanDerWaalsContact OG-OG 3.04Å; S59-P61 VanDerWaalsContact O-O 3.13Å; S59-K64 VanDerWaalsContact C-NZ 3.31Å; S59-K64 PolarHBondContact O-NZ 3.23Å; S59-K64 PolarHBondContact OG-NZ 2.92Å; S59-E105 WeakPolarHBondContact CB-OE1 3.41Å; S59-E105 PolarHBondContact N-OE1 3.12Å; S59-E105 PolarHBondContact OG-OE1 2.81Å
60P85Confident86.6Confident108 Ų10860.3 Ų60.370%0.70131%0.312SS*.SBendtrans-64150.3172.4-22.133.4000112.6
61P86.4Confident86.8Confident26 Ų2660.8 Ų60.817%0.16932%0.316CS..SBendcis-72.2154.4-7.732-35.3000111.3S59 K64 Y67 L94S59-P61 VanDerWaalsContact O-O 3.13Å; P61-K64 HydrophobicContact CG-CG 4.48Å; P61-K64 VanDerWaalsContact O-CG 3.3Å; P61-K64 WeakPolarHBondContact O-CG 3.42Å; P61-Y67 HydrophobicContact CB-CE2 4.09Å; P61-Y67 HydrophobicContact CG-CD2 4.24Å; P61-Y67 HydrophobicContact CG-CE2 3.56Å; P61-L94 HydrophobicContact CG-CD2 3.97Å
62A84.1Confident87Confident74 Ų7463.5 Ų63.561%0.61233%0.327SS*.SBendtrans-63.7152.7169.600000110.4
63N82.8Confident87.3Confident119 Ų11961.8 Ų61.864%0.63632%0.318SS*.  trans57.452.1179.3-57.9-28.7000113.6C65 Q66N63-C65 PolarHBondContact O-N 3.42Å; N63-Q66 WeakPolarHBondContact O-CG 3.45Å; N63-Q66 PolarHBondContact O-N 3.39Å
64K88.4Confident87.6Confident1 Ų163.5 Ų63.50%0.00433%0.325CS..G310 helixtrans-55.6-23-179-66.4-165.7-179.374.30114.4L54 S57 S59 P61 Q66 Y67 L94 A102L54-K64 HydrophobicContact CB-CB 4.38Å; L54-K64 HydrophobicContact CD2-CB 4.31Å; L54-K64 HydrophobicContact CD2-CD 4.13Å; L54-K64 WeakPolarHBondContact O-CB 3.49Å; S57-K64 PolarHBondContact OG-NZ 3.06Å; S59-K64 VanDerWaalsContact C-NZ 3.31Å; S59-K64 PolarHBondContact O-NZ 3.23Å; S59-K64 PolarHBondContact OG-NZ 2.92Å; P61-K64 HydrophobicContact CG-CG 4.48Å; P61-K64 VanDerWaalsContact O-CG 3.3Å; P61-K64 WeakPolarHBondContact O-CG 3.42Å; K64-Q66 PolarHBondContact O-N 3.31Å; K64-Q66 VanDerWaalsContact O-N 3.13Å; K64-Y67 PolarHBondContact O-N 3.17Å; K64-L94 HydrophobicContact CB-CD1 4.18Å; K64-L94 HydrophobicContact CB-CD2 4.41Å; K64-L94 HydrophobicContact CD-CD1 4.02Å; K64-L94 HydrophobicContact CD-CD2 4.3Å; K64-L94 HydrophobicContact CG-CD1 4.43Å; K64-L94 HydrophobicContact CG-CD2 4.2Å; K64-A102 HydrophobicContact CD-CB 4.14Å
65C85.9Confident87.7Confident54 Ų5463.6 Ų63.637%0.36533%0.326SS..G310 helixtrans-53.4-31.8177.9-171.40000113.7M55 N63 Y67 Y68M55-C65 HydrophobicContact CG-CB 3.85Å; N63-C65 PolarHBondContact O-N 3.42Å; C65-Y67 PolarHBondContact O-N 3.48Å; C65-Y68 PolarHBondContact O-N 3.2Å
66Q88.5Confident88Confident130 Ų13058.8 Ų58.861%0.60730%0.302SS*.G310 helixtrans-70.4-17.918073.6-169.7-18.300113.7N63 K64N63-Q66 WeakPolarHBondContact O-CG 3.45Å; N63-Q66 PolarHBondContact O-N 3.39Å; K64-Q66 PolarHBondContact O-N 3.31Å; K64-Q66 VanDerWaalsContact O-N 3.13Å
67Y88.5Confident88.3Confident37 Ų3759 Ų5915%0.14530%0.299CS..G310 helixtrans-95.2-10.8178.6-55.6-89.6000111.9V5 P61 K64 C65 T92 T93 L94V5-Y67 HydrophobicContact CG2-CD1 3.8Å; V5-Y67 HydrophobicContact CG2-CE1 3.63Å; P61-Y67 HydrophobicContact CB-CE2 4.09Å; P61-Y67 HydrophobicContact CG-CD2 4.24Å; P61-Y67 HydrophobicContact CG-CE2 3.56Å; K64-Y67 PolarHBondContact O-N 3.17Å; C65-Y67 PolarHBondContact O-N 3.48Å; Y67-T92 WeakPolarHBondContact O-CA 3.37Å; Y67-T92 WeakPolarHBondContact O-CB 3.37Å; Y67-T92 PolarHBondContact O-OG1 3.23Å; Y67-T93 WeakPolarHBondContact CB-OG1 3.22Å; Y67-T93 WeakPolarHBondContact CD1-OG1 2.99Å; Y67-T93 PolarHBondContact O-N 2.77Å; Y67-T93 PolarHBondContact O-OG1 3.3Å; Y67-L94 HydrophobicContact CD1-CD2 4.43Å; Y67-L94 HydrophobicContact CD2-CD2 3.79Å; Y67-L94 HydrophobicContact CE2-CD2 4.47Å; Y67-L94 HydrophobicContact CG-CD2 3.76Å; Y67-L94 HydrophobicContact CG-CG 4.2Å
68Y88.7Confident88.5Confident43 Ų4364.1 Ų64.117%0.16932%0.322CS..EExtended strand (participates in β ladder)trans-81.5127.2177.4174.2-92.5000109.9L51 L54 C65 R70 S71 I90L51-Y68 HydrophobicContact CD1-CD1 3.68Å; L51-Y68 HydrophobicContact CD1-CD2 4.46Å; L51-Y68 HydrophobicContact CD1-CE1 3.91Å; L51-Y68 HydrophobicContact CD1-CG 3.95Å; L54-Y68 HydrophobicContact CD1-CD2 3.61Å; L54-Y68 HydrophobicContact CD1-CE2 4.35Å; L54-Y68 HydrophobicContact CD1-CG 4.22Å; C65-Y68 PolarHBondContact O-N 3.2Å; Y68-R70 VanDerWaalsContact CZ-C 3.5Å; Y68-S71 WeakPolarHBondContact OH-CB 3.4Å; Y68-S71 PolarHBondContact OH-N 3.37Å; Y68-S71 PolarHBondContact OH-OG 2.87Å; Y68-I90 HydrophobicContact CD2-CD1 3.87Å; Y68-I90 HydrophobicContact CD2-CG1 4.07Å; Y68-I90 HydrophobicContact CE2-CD1 3.87Å; Y68-I90 HydrophobicContact CE2-CG1 3.91Å
69Q88.2Confident88.6Confident57 Ų5755.9 Ų55.927%0.26629%0.287SS..EExtended strand (participates in β ladder)trans-105.6-52.8178.3-67.3157.3-50.600110.7P7 E91P7-Q69 VanDerWaalsContact C-NE2 3.33Å; P7-Q69 PolarHBondContact O-NE2 2.92Å; Q69-E91 HydrophobicContact CB-CB 4.34Å; Q69-E91 HydrophobicContact CB-CG 4.48Å; Q69-E91 WeakPolarHBondContact CB-O 3.24Å; Q69-E91 PolarHBondContact N-O 3.41Å
70R88.7Confident88.6Confident108 Ų10866.4 Ų66.441%0.40833%0.326SS..EExtended strand (participates in β ladder)trans-161.3166.4174.458.7170.2171.2156.2-3.3112Y68 E91 Y131Y68-R70 VanDerWaalsContact CZ-C 3.5Å; R70-E91 HydrophobicContact CG-CB 3.78Å; R70-E91 IonicContact CZ-OE2 3.19Å; R70-E91 PolarHBondContact N-O 3.15Å; R70-E91 IonicContact NE-OE2 2.69Å; R70-E91 PolarHBondContact NE-OE2 3.11Å; R70-E91 IonicContact NH2-OE2 2.77Å; R70-E91 PolarHBondContact NH2-OE2 2.86Å; R70-E91 PolarHBondContact O-N 3.3Å; R70-Y131 PolarHBondContact NH2-OH 2.8Å
71S90.4Very high88.7Confident11 Ų1166 Ų668%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-133168.9164.560.90000110.1Q47 Y68 V89Q47-S71 WeakPolarHBondContact CG-OG 3.42Å; Q47-S71 PolarHBondContact NE2-O 2.89Å; Q47-S71 PolarHBondContact NE2-OG 2.93Å; Y68-S71 WeakPolarHBondContact OH-CB 3.4Å; Y68-S71 PolarHBondContact OH-N 3.37Å; Y68-S71 PolarHBondContact OH-OG 2.87Å; S71-V89 CarbonylContact C-O 3.59Å; S71-V89 WeakPolarHBondContact CA-O 3.41Å; S71-V89 WeakPolarHBondContact CB-O 3.26Å
72H91.2Very high88.7Confident101 Ų10167 Ų6747%0.46832%0.322SS..EExtended strand (participates in β ladder)trans-155.9126.4172.1176.964.5000109.8Q74 I88 V89H72-Q74 PolarHBondContact O-N 2.8Å; H72-I88 CarbonylContact O-C 3.53Å; H72-I88 WeakPolarHBondContact O-CA 3.45Å; H72-V89 PolarHBondContact N-O 3.04Å; H72-V89 PolarHBondContact O-N 3.06Å
73V92.3Very high89Confident1 Ų164 Ų641%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-73.5109.5168.21770000108.3A43 I46 Q47 F76 V86 N87 I88A43-V73 HydrophobicContact CB-CB 3.92Å; A43-V73 HydrophobicContact CB-CG1 4.43Å; A43-V73 HydrophobicContact CB-CG2 4.1Å; I46-V73 HydrophobicContact CB-CG2 4.2Å; I46-V73 HydrophobicContact CG2-CG2 3.91Å; Q47-V73 HydrophobicContact CG-CG2 4.12Å; V73-F76 HydrophobicContact CG1-CE1 4.11Å; V73-F76 HydrophobicContact CG1-CE2 4.02Å; V73-F76 HydrophobicContact CG1-CZ 3.76Å; V73-V86 HydrophobicContact CG1-CG1 3.64Å; V73-V86 HydrophobicContact CG2-CG1 4.4Å; V73-N87 CarbonylContact C-O 3.5Å; V73-I88 HydrophobicContact CG2-CG1 4.26Å
74Q90.6Very high89.5Confident39 Ų3958.3 Ų58.318%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-73.9-44.6-177.2-172.8-171.9-17.300111.4K34 H72 N87 V89 Y131 C133K34-Q74 WeakPolarHBondContact CE-O 3.27Å; K34-Q74 PolarHBondContact NZ-O 2.79Å; H72-Q74 PolarHBondContact O-N 2.8Å; Q74-N87 HydrophobicContact CB-CB 4.45Å; Q74-N87 PolarHBondContact N-O 2.63Å; Q74-V89 HydrophobicContact CB-CG2 4.45Å; Q74-Y131 PolarHBondContact OE1-O 2.83Å; Q74-C133 PolarHBondContact OE1-SG 3.1Å
75C90.9Very high89.7Confident4 Ų463 Ų633%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-164.3161179.8570000113.2D31 N87D31-C75 WeakPolarHBondContact OD1-CB 3.02Å; C75-N87 PolarHBondContact O-N 2.76Å
76F93.6Very high90Very high0 Ų060.4 Ų60.40%027%0.266CS..EExtended strand (participates in β ladder)trans-108.2143.2165.2-55.3-85.7000108.9Y24 L29 Y39 I42 A43 I46 V73 V84 R85 V86Y24-F76 HydrophobicContact CE2-CB 4.16Å; L29-F76 HydrophobicContact CB-CB 3.93Å; L29-F76 HydrophobicContact CB-CD2 4.2Å; L29-F76 HydrophobicContact CB-CG 4.1Å; L29-F76 HydrophobicContact CD1-CB 4.49Å; L29-F76 HydrophobicContact CD1-CD1 4.41Å; L29-F76 HydrophobicContact CD1-CG 4.43Å; L29-F76 HydrophobicContact CD2-CD1 4.07Å; L29-F76 HydrophobicContact CD2-CD2 3.83Å; L29-F76 HydrophobicContact CD2-CE1 4.12Å; L29-F76 HydrophobicContact CD2-CE2 3.88Å; L29-F76 HydrophobicContact CD2-CG 3.93Å; L29-F76 HydrophobicContact CD2-CZ 4.03Å; L29-F76 HydrophobicContact CG-CG 4.39Å; L29-F76 WeakPolarHBondContact O-CB 3.35Å; Y39-F76 HydrophobicContact CD1-CE2 4.27Å; Y39-F76 HydrophobicContact CD2-CD2 4.08Å; Y39-F76 HydrophobicContact CD2-CE2 4.01Å; Y39-F76 HydrophobicContact CE1-CD2 4.38Å; Y39-F76 AromaticContact CE1-CE2 3.81Å; Y39-F76 HydrophobicContact CE1-CE2 3.81Å; Y39-F76 AromaticContact CE2-CD2 3.39Å; Y39-F76 HydrophobicContact CE2-CD2 3.39Å; Y39-F76 AromaticContact CE2-CE2 3.57Å; Y39-F76 HydrophobicContact CE2-CE2 3.57Å; Y39-F76 HydrophobicContact CG-CE2 4.34Å; Y39-F76 AromaticContact CZ-CD2 3.54Å; Y39-F76 AromaticContact CZ-CE2 3.42Å; Y39-F76 VanDerWaalsContact CZ-CE2 3.42Å; I42-F76 HydrophobicContact CB-CZ 4.44Å; I42-F76 HydrophobicContact CG2-CE1 4.02Å; I42-F76 HydrophobicContact CG2-CZ 3.88Å; A43-F76 HydrophobicContact CB-CZ 4.35Å; I46-F76 HydrophobicContact CD1-CE1 3.57Å; I46-F76 HydrophobicContact CD1-CZ 4.12Å; V73-F76 HydrophobicContact CG1-CE1 4.11Å; V73-F76 HydrophobicContact CG1-CE2 4.02Å; V73-F76 HydrophobicContact CG1-CZ 3.76Å; F76-V84 HydrophobicContact CB-CG1 4.04Å; F76-V84 HydrophobicContact CD1-CG1 3.67Å; F76-V84 HydrophobicContact CG-CG1 4.32Å; F76-R85 CarbonylContact C-O 3.55Å; F76-R85 WeakPolarHBondContact CA-O 3.44Å; F76-V86 HydrophobicContact CD1-CG1 4.18Å; F76-V86 HydrophobicContact CD1-CG2 3.89Å; F76-V86 HydrophobicContact CE1-CG1 4.06Å; F76-V86 HydrophobicContact CE1-CG2 4.11Å
77R92.7Very high90.2Very high100 Ų10055 Ų5538%0.37724%0.242SC..EExtended strand (participates in β ladder)trans-135.1141.9177.5-64.3-67.6177.5-100.82.2109.3D31 R85D31-R77 IonicContact OD1-CZ 2.72Å; D31-R77 IonicContact OD1-NH1 3.89Å; D31-R77 PolarHBondContact OD1-NH1 2.82Å; D31-R77 IonicContact OD1-NH2 3.81Å; D31-R77 IonicContact OD2-CZ 3.47Å; D31-R77 VanDerWaalsContact OD2-CZ 3.31Å; D31-R77 IonicContact OD2-NH1 3.68Å; D31-R77 PolarHBondContact OD2-NH1 3.26Å; D31-R77 IonicContact OD2-NH2 3.01Å; D31-R77 PolarHBondContact OD2-NH2 3.16Å; R77-R85 HydrophobicContact CB-CB 4.29Å; R77-R85 PolarHBondContact N-O 3.3Å; R77-R85 PolarHBondContact O-N 2.74Å
78Q92.3Very high90.4Very high117 Ų11753.3 Ų53.355%0.54724%0.235SC..EExtended strand (participates in β ladder)trans-72.6129.7169-168.7-178.91400109Y24 N82Y24-Q78 HydrophobicContact CD1-CB 3.74Å; Y24-Q78 HydrophobicContact CD1-CG 4.02Å; Y24-Q78 HydrophobicContact CD2-CB 4.22Å; Y24-Q78 HydrophobicContact CE1-CB 4.12Å; Y24-Q78 HydrophobicContact CG-CB 3.78Å; Y24-Q78 HydrophobicContact CG-CG 4.08Å; Q78-N82 PolarHBondContact NE2-OD1 3.49Å
79N86.9Confident90.5Very high25 Ų2551.8 Ų51.813%0.13423%0.23CC..  trans-89.8169.2169.5-162.834.7000110.5D81 N82 A83 R85N79-D81 VanDerWaalsContact CB-OD1 3.29Å; N79-D81 WeakPolarHBondContact CB-OD1 3.2Å; N79-D81 PolarHBondContact ND2-OD1 3.36Å; N79-D81 PolarHBondContact O-N 3.12Å; N79-D81 VanDerWaalsContact O-N 3.17Å; N79-N82 PolarHBondContact O-N 2.72Å; N79-A83 HydrophobicContact CB-CB 4.28Å; N79-A83 VanDerWaalsContact CB-O 3.26Å; N79-A83 WeakPolarHBondContact CB-O 3.43Å; N79-A83 PolarHBondContact N-O 2.9Å; N79-R85 PolarHBondContact OD1-NH2 2.8Å
80Y84.6Confident90.7Very high240 Ų24049 Ų4994%0.94122%0.217SC*.THydrogen-bonded Turntrans-58.7-29.8-177-76-77.9000114.2N82Y80-N82 VanDerWaalsContact C-N 3.32Å
81D86.7Confident90.7Very high98 Ų9845.2 Ų45.252%0.52420%0.204SC..THydrogen-bonded Turntrans-92.515.5178.758.8-13.1000113.3N79 A83N79-D81 VanDerWaalsContact CB-OD1 3.29Å; N79-D81 WeakPolarHBondContact CB-OD1 3.2Å; N79-D81 PolarHBondContact ND2-OD1 3.36Å; N79-D81 PolarHBondContact O-N 3.12Å; N79-D81 VanDerWaalsContact O-N 3.17Å; D81-A83 PolarHBondContact O-N 2.93Å; D81-A83 VanDerWaalsContact OD1-CB 3.26Å; D81-A83 WeakPolarHBondContact OD1-CB 3.43Å; D81-A83 PolarHBondContact OD1-N 3.3Å
82N86.7Confident90.7Very high49 Ų4944.7 Ų44.726%0.26220%0.2SC..SBendtrans66.82.6-174.4-156.450.4000115.4D23 Y24 Q78 N79 Y80D23-N82 PolarHBondContact OD1-ND2 3.48Å; Y24-N82 WeakPolarHBondContact CB-O 3.44Å; Y24-N82 PolarHBondContact N-O 3.46Å; Q78-N82 PolarHBondContact NE2-OD1 3.49Å; N79-N82 PolarHBondContact O-N 2.72Å; Y80-N82 VanDerWaalsContact C-N 3.32Å
83A90.3Very high90.7Very high9 Ų941.3 Ų41.37%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-66152.417400000111.3V18 N79 D81 R85V18-A83 HydrophobicContact CG1-CB 3.53Å; N79-A83 HydrophobicContact CB-CB 4.28Å; N79-A83 VanDerWaalsContact CB-O 3.26Å; N79-A83 WeakPolarHBondContact CB-O 3.43Å; N79-A83 PolarHBondContact N-O 2.9Å; D81-A83 PolarHBondContact O-N 2.93Å; D81-A83 VanDerWaalsContact OD1-CB 3.26Å; D81-A83 WeakPolarHBondContact OD1-CB 3.43Å; D81-A83 PolarHBondContact OD1-N 3.3Å; A83-R85 PolarHBondContact O-N 3.01Å
84V92.7Very high90.5Very high0 Ų041.3 Ų41.30%019%0.187CC..EExtended strand (participates in β ladder)trans-89.8107.5-179-177.40000109.9V18 L19 Y22 Y24 L29 F76 V86V18-V84 CarbonylContact C-O 3.54Å; V18-V84 WeakPolarHBondContact CA-O 3.38Å; L19-V84 HydrophobicContact CB-CB 4.1Å; L19-V84 HydrophobicContact CD1-CB 4.17Å; L19-V84 HydrophobicContact CD1-CG1 4.11Å; L19-V84 HydrophobicContact CG-CB 4.28Å; L19-V84 HydrophobicContact CG-CG1 4.48Å; L19-V84 PolarHBondContact N-O 2.67Å; L19-V84 PolarHBondContact O-N 2.87Å; Y22-V84 HydrophobicContact CD1-CG2 3.88Å; Y22-V84 HydrophobicContact CE1-CG2 4.45Å; Y24-V84 HydrophobicContact CD2-CG1 4.41Å; Y24-V84 HydrophobicContact CD2-CG2 4.12Å; Y24-V84 HydrophobicContact CG-CG2 4.5Å; L29-V84 HydrophobicContact CD1-CB 4.5Å; L29-V84 HydrophobicContact CD1-CG1 3.89Å; L29-V84 HydrophobicContact CD1-CG2 3.75Å; F76-V84 HydrophobicContact CB-CG1 4.04Å; F76-V84 HydrophobicContact CD1-CG1 3.67Å; F76-V84 HydrophobicContact CG-CG1 4.32Å; V84-V86 HydrophobicContact CG1-CG2 4.04Å
85R93.7Very high90.3Very high99 Ų9942.6 Ų42.637%0.37420%0.198SC..EExtended strand (participates in β ladder)trans-78.9129.9166-173.1-176.5-59.2162.84.2109.5T16 T17 F76 R77 N79 A83T16-R85 HydrophobicContact CG2-CG 3.75Å; T17-R85 CarbonylContact O-C 3.54Å; T17-R85 WeakPolarHBondContact O-CA 3.3Å; F76-R85 CarbonylContact C-O 3.55Å; F76-R85 WeakPolarHBondContact CA-O 3.44Å; R77-R85 HydrophobicContact CB-CB 4.29Å; R77-R85 PolarHBondContact N-O 3.3Å; R77-R85 PolarHBondContact O-N 2.74Å; N79-R85 PolarHBondContact OD1-NH2 2.8Å; A83-R85 PolarHBondContact O-N 3.01Å
86V92.7Very high90.2Very high0 Ų046.6 Ų46.60%022%0.216CC..EExtended strand (participates in β ladder)trans-117.9130.7-179.2-166.90000108.7T16 T17 L19 I46 V73 F76 V84 I88T16-V86 WeakPolarHBondContact CA-O 3.26Å; T17-V86 HydrophobicContact CG2-CB 3.99Å; T17-V86 HydrophobicContact CG2-CG2 4.48Å; T17-V86 PolarHBondContact N-O 2.94Å; T17-V86 PolarHBondContact O-N 3.2Å; L19-V86 HydrophobicContact CD1-CG2 3.74Å; L19-V86 HydrophobicContact CD2-CG2 4.01Å; L19-V86 HydrophobicContact CG-CG2 3.58Å; I46-V86 HydrophobicContact CD1-CG1 4.25Å; I46-V86 HydrophobicContact CD1-CG2 4.25Å; V73-V86 HydrophobicContact CG1-CG1 3.64Å; V73-V86 HydrophobicContact CG2-CG1 4.4Å; F76-V86 HydrophobicContact CD1-CG1 4.18Å; F76-V86 HydrophobicContact CD1-CG2 3.89Å; F76-V86 HydrophobicContact CE1-CG1 4.06Å; F76-V86 HydrophobicContact CE1-CG2 4.11Å; V84-V86 HydrophobicContact CG1-CG2 4.04Å; V86-I88 HydrophobicContact CG1-CD1 4.38Å; V86-I88 HydrophobicContact CG1-CG1 3.84Å
87N92.5Very high89.8Confident18 Ų1853.8 Ų53.810%0.09625%0.249CC..EExtended strand (participates in β ladder)trans-105.8123.2169.5-73.2-14000109.2T16 V73 Q74 C75 C133T16-N87 WeakPolarHBondContact CG2-OD1 3.26Å; T16-N87 PolarHBondContact OG1-OD1 3.44Å; V73-N87 CarbonylContact C-O 3.5Å; Q74-N87 HydrophobicContact CB-CB 4.45Å; Q74-N87 PolarHBondContact N-O 2.63Å; C75-N87 PolarHBondContact O-N 2.76Å; N87-C133 HydrophobicContact CB-CB 4.06Å
88I92Very high89.7Confident1 Ų151.4 Ų51.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-121.7124.2-178.2-43.1172.9000107.7I15 T17 I46 V50 H72 V73 V86I15-I88 HydrophobicContact CB-CB 4.19Å; I15-I88 PolarHBondContact N-O 3Å; I15-I88 PolarHBondContact O-N 2.74Å; T17-I88 HydrophobicContact CG2-CD1 4.35Å; I46-I88 HydrophobicContact CG2-CD1 3.47Å; I46-I88 VanDerWaalsContact CG2-CD1 3.47Å; I46-I88 HydrophobicContact CG2-CG1 4.3Å; V50-I88 HydrophobicContact CG2-CD1 3.95Å; H72-I88 CarbonylContact O-C 3.53Å; H72-I88 WeakPolarHBondContact O-CA 3.45Å; V73-I88 HydrophobicContact CG2-CG1 4.26Å; V86-I88 HydrophobicContact CG1-CD1 4.38Å; V86-I88 HydrophobicContact CG1-CG1 3.84Å
89V91.7Very high89.5Confident10 Ų1045.9 Ų45.96%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-86.1133.9167-178.60000107.9F12 Y13 S71 H72 Q74 Y131F12-V89 HydrophobicContact CD1-CG1 4.28Å; Y13-V89 WeakPolarHBondContact O-CA 3.38Å; S71-V89 CarbonylContact C-O 3.59Å; S71-V89 WeakPolarHBondContact CA-O 3.41Å; S71-V89 WeakPolarHBondContact CB-O 3.26Å; H72-V89 PolarHBondContact N-O 3.04Å; H72-V89 PolarHBondContact O-N 3.06Å; Q74-V89 HydrophobicContact CB-CG2 4.45Å; V89-Y131 HydrophobicContact CG1-CD1 4.21Å
90I91Very high89.6Confident0 Ų046.4 Ų46.40%022%0.224CC..EExtended strand (participates in β ladder)trans-127.2135.3173.3-167.5171.5000109.8Y13 I15 V50 L54 Y68 L99Y13-I90 PolarHBondContact N-O 3.04Å; Y13-I90 PolarHBondContact O-N 3.17Å; I15-I90 HydrophobicContact CD1-CB 4.18Å; I15-I90 HydrophobicContact CD1-CD1 4.21Å; I15-I90 HydrophobicContact CD1-CG2 3.76Å; I15-I90 HydrophobicContact CG1-CG2 4.09Å; V50-I90 HydrophobicContact CG1-CD1 4.13Å; L54-I90 HydrophobicContact CD1-CD1 4.07Å; Y68-I90 HydrophobicContact CD2-CD1 3.87Å; Y68-I90 HydrophobicContact CD2-CG1 4.07Å; Y68-I90 HydrophobicContact CE2-CD1 3.87Å; Y68-I90 HydrophobicContact CE2-CG1 3.91Å; I90-L99 HydrophobicContact CD1-CD1 3.95Å; I90-L99 HydrophobicContact CG2-CD2 3.66Å
91E90.4Very high89.7Confident27 Ų2736.1 Ų36.113%0.12619%0.189CC..EExtended strand (participates in β ladder)trans-108.1120.1172.4-160.8-174.4154.600108N11 F12 Q69 R70N11-E91 WeakPolarHBondContact O-CA 3.49Å; F12-E91 HydrophobicContact CD1-CB 4.09Å; F12-E91 HydrophobicContact CD1-CG 3.93Å; F12-E91 HydrophobicContact CE1-CB 3.82Å; F12-E91 VanDerWaalsContact CE1-CD 3.49Å; F12-E91 HydrophobicContact CE1-CG 3.45Å; F12-E91 VanDerWaalsContact CE1-CG 3.45Å; F12-E91 WeakPolarHBondContact CE1-OE2 3.37Å; F12-E91 HydrophobicContact CE2-CG 4.43Å; F12-E91 VanDerWaalsContact CZ-CD 3.46Å; F12-E91 HydrophobicContact CZ-CG 3.74Å; Q69-E91 HydrophobicContact CB-CB 4.34Å; Q69-E91 HydrophobicContact CB-CG 4.48Å; Q69-E91 WeakPolarHBondContact CB-O 3.24Å; Q69-E91 PolarHBondContact N-O 3.41Å; R70-E91 HydrophobicContact CG-CB 3.78Å; R70-E91 IonicContact CZ-OE2 3.19Å; R70-E91 PolarHBondContact N-O 3.15Å; R70-E91 IonicContact NE-OE2 2.69Å; R70-E91 PolarHBondContact NE-OE2 3.11Å; R70-E91 IonicContact NH2-OE2 2.77Å; R70-E91 PolarHBondContact NH2-OE2 2.86Å; R70-E91 PolarHBondContact O-N 3.3Å
92T90.3Very high89.7Confident0 Ų031.5 Ų31.50%017%0.165CC..EExtended strand (participates in β ladder)trans-157156.2-176.6-176.70000111.1N11 Y13 Y67 L94 L99N11-T92 WeakPolarHBondContact CA-O 3.43Å; N11-T92 WeakPolarHBondContact CB-O 3.41Å; N11-T92 PolarHBondContact N-O 3.43Å; N11-T92 PolarHBondContact O-N 3.47Å; Y13-T92 HydrophobicContact CD2-CG2 3.78Å; Y13-T92 HydrophobicContact CE2-CG2 3.95Å; Y67-T92 WeakPolarHBondContact O-CA 3.37Å; Y67-T92 WeakPolarHBondContact O-CB 3.37Å; Y67-T92 PolarHBondContact O-OG1 3.23Å; T92-L94 HydrophobicContact CG2-CB 4.06Å; T92-L94 WeakPolarHBondContact OG1-CG 3.46Å; T92-L94 PolarHBondContact OG1-N 3.31Å; T92-L94 VanDerWaalsContact OG1-N 3.15Å; T92-L99 HydrophobicContact CG2-CD2 4.32Å
93T89.9Confident89.6Confident31 Ų3129.5 Ų29.519%0.1915%0.154CC..SBendtrans-94.73.3171.453.90000113.1V5 Y67V5-T93 VanDerWaalsContact CG1-CB 3.49Å; V5-T93 HydrophobicContact CG1-CG2 3.42Å; V5-T93 VanDerWaalsContact CG1-CG2 3.42Å; V5-T93 WeakPolarHBondContact CG1-OG1 3.4Å; Y67-T93 WeakPolarHBondContact CB-OG1 3.22Å; Y67-T93 WeakPolarHBondContact CD1-OG1 2.99Å; Y67-T93 PolarHBondContact O-N 2.77Å; Y67-T93 PolarHBondContact O-OG1 3.3Å
94L89Confident89.3Confident0 Ų036.5 Ų36.50%018%0.183CC..SBendtrans-63.1150166.9-66170.6000110.5Y13 L54 P61 K64 Y67 T92 Q98 L99Y13-L94 WeakPolarHBondContact CE2-O 2.92Å; Y13-L94 PolarHBondContact OH-O 3.16Å; L54-L94 HydrophobicContact CD2-CD1 3.79Å; P61-L94 HydrophobicContact CG-CD2 3.97Å; K64-L94 HydrophobicContact CB-CD1 4.18Å; K64-L94 HydrophobicContact CB-CD2 4.41Å; K64-L94 HydrophobicContact CD-CD1 4.02Å; K64-L94 HydrophobicContact CD-CD2 4.3Å; K64-L94 HydrophobicContact CG-CD1 4.43Å; K64-L94 HydrophobicContact CG-CD2 4.2Å; Y67-L94 HydrophobicContact CD1-CD2 4.43Å; Y67-L94 HydrophobicContact CD2-CD2 3.79Å; Y67-L94 HydrophobicContact CE2-CD2 4.47Å; Y67-L94 HydrophobicContact CG-CD2 3.76Å; Y67-L94 HydrophobicContact CG-CG 4.2Å; T92-L94 HydrophobicContact CG2-CB 4.06Å; T92-L94 WeakPolarHBondContact OG1-CG 3.46Å; T92-L94 PolarHBondContact OG1-N 3.31Å; T92-L94 VanDerWaalsContact OG1-N 3.15Å; L94-Q98 HydrophobicContact CB-CB 4.24Å; L94-Q98 HydrophobicContact CD2-CB 4.2Å; L94-L99 HydrophobicContact CD1-CD1 4.33Å
95T87Confident88.8Confident67 Ų6739 Ų3941%0.41119%0.194SC..  trans-73.8157.7168.970.80000110.8H97 Q98 L99T95-H97 PolarHBondContact O-N 2.92Å; T95-Q98 PolarHBondContact O-N 3.4Å; T95-Q98 VanDerWaalsContact OG1-CG 3.28Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.12Å; T95-Q98 PolarHBondContact OG1-N 3.21Å; T95-Q98 PolarHBondContact OG1-OE1 3.07Å; T95-L99 PolarHBondContact O-N 3.35Å
96E86.8Confident88.2Confident88 Ų8834.8 Ų34.841%0.41118%0.179SC..Hα-helixtrans-52.3-43.5176.1-172.9-178.2149.100111.9Y13 Q98 L99 A100 I123Y13-E96 HydrophobicContact CE1-CB 3.78Å; Y13-E96 HydrophobicContact CE1-CG 4.23Å; Y13-E96 PolarHBondContact OH-N 3.41Å; E96-Q98 PolarHBondContact O-N 3.19Å; E96-L99 PolarHBondContact O-N 3Å; E96-A100 WeakPolarHBondContact O-CB 3.09Å; E96-A100 PolarHBondContact O-N 3.4Å; E96-I123 HydrophobicContact CG-CB 4.43Å; E96-I123 HydrophobicContact CG-CG2 3.92Å
97H87Confident87.8Confident150 Ų15037.5 Ų37.569%0.69419%0.192SC*.Hα-helixtrans-61.5-44.5177.5179.6-59.7000112.1T95 L99 A100 A101T95-H97 PolarHBondContact O-N 2.92Å; H97-L99 VanDerWaalsContact C-N 3.33Å; H97-A100 PolarHBondContact O-N 3.04Å; H97-A101 PolarHBondContact O-N 3.35Å
98Q89Confident87Confident51 Ų5139 Ų3924%0.23821%0.212CC..Hα-helixtrans-66-39.3179.9-70.9164.5-11.800111.4L94 T95 E96 A102L94-Q98 HydrophobicContact CB-CB 4.24Å; L94-Q98 HydrophobicContact CD2-CB 4.2Å; T95-Q98 PolarHBondContact O-N 3.4Å; T95-Q98 VanDerWaalsContact OG1-CG 3.28Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.12Å; T95-Q98 PolarHBondContact OG1-N 3.21Å; T95-Q98 PolarHBondContact OG1-OE1 3.07Å; E96-Q98 PolarHBondContact O-N 3.19Å; Q98-A102 PolarHBondContact O-N 3.07Å
99L89.1Confident85.9Confident0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-67.3-41176-169.965.3000110.8Y13 L54 I90 T92 L94 T95 E96 H97 A101 A102 L103 I123Y13-L99 HydrophobicContact CD2-CD2 3.79Å; Y13-L99 HydrophobicContact CG-CD2 3.87Å; L54-L99 HydrophobicContact CD2-CD1 3.99Å; I90-L99 HydrophobicContact CD1-CD1 3.95Å; I90-L99 HydrophobicContact CG2-CD2 3.66Å; T92-L99 HydrophobicContact CG2-CD2 4.32Å; L94-L99 HydrophobicContact CD1-CD1 4.33Å; T95-L99 PolarHBondContact O-N 3.35Å; E96-L99 PolarHBondContact O-N 3Å; H97-L99 VanDerWaalsContact C-N 3.33Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 2.96Å; L99-A102 PolarHBondContact O-N 3.35Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.23Å; L99-I123 HydrophobicContact CB-CD1 3.64Å; L99-I123 HydrophobicContact CD2-CD1 3.75Å; L99-I123 HydrophobicContact CD2-CG2 4.22Å; L99-I123 HydrophobicContact CG-CD1 3.47Å; L99-I123 VanDerWaalsContact CG-CD1 3.47Å
100A87.9Confident84.4Confident37 Ų3742 Ų4231%0.30623%0.225SC..Hα-helixtrans-62.8-38.8178.200000112E96 H97 L103 K104 I123E96-A100 WeakPolarHBondContact O-CB 3.09Å; E96-A100 PolarHBondContact O-N 3.4Å; H97-A100 PolarHBondContact O-N 3.04Å; A100-L103 PolarHBondContact O-N 2.89Å; A100-K104 PolarHBondContact O-N 2.83Å; A100-I123 HydrophobicContact CB-CD1 3.84Å
101A87.4Confident82.8Confident24 Ų2449.7 Ų49.720%0.19826%0.259CS..Hα-helixtrans-62.9-45.6174.600000111.5H97 L99 L103 K104 E105H97-A101 PolarHBondContact O-N 3.35Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 2.96Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-L103 PolarHBondContact O-N 3.48Å; A101-K104 PolarHBondContact O-N 3.33Å; A101-E105 WeakPolarHBondContact O-CG 3.42Å; A101-E105 PolarHBondContact O-N 3.03Å
102A86.9Confident81.1Confident1 Ų155 Ų551%0.00829%0.288CS..Hα-helixtrans-64.1-36.8177.500000112.8L54 K64 Q98 L99 E105 L106L54-A102 HydrophobicContact CD2-CB 3.66Å; K64-A102 HydrophobicContact CD-CB 4.14Å; Q98-A102 PolarHBondContact O-N 3.07Å; L99-A102 PolarHBondContact O-N 3.35Å; A102-E105 WeakPolarHBondContact O-CB 3.36Å; A102-E105 PolarHBondContact O-N 2.84Å; A102-L106 PolarHBondContact O-N 2.86Å
103L84.7Confident79.8Confident7 Ų756.7 Ų56.74%0.03730%0.3CS..Hα-helixtrans-71.5-34.9176.7-68-176.6000113.5I15 L99 A100 A101 E105 L106 E107 I123I15-L103 HydrophobicContact CB-CD1 4.24Å; I15-L103 HydrophobicContact CD1-CD1 3.77Å; I15-L103 HydrophobicContact CD1-CD2 3.99Å; I15-L103 HydrophobicContact CD1-CG 4.39Å; I15-L103 HydrophobicContact CG1-CD1 3.72Å; I15-L103 HydrophobicContact CG2-CD1 3.59Å; I15-L103 HydrophobicContact CG2-CD2 4.42Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.23Å; A100-L103 PolarHBondContact O-N 2.89Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-L103 PolarHBondContact O-N 3.48Å; L103-E105 PolarHBondContact O-N 3.21Å; L103-L106 HydrophobicContact CD2-CD2 4.07Å; L103-L106 WeakPolarHBondContact O-CA 3.41Å; L103-L106 VanDerWaalsContact O-CB 3.26Å; L103-L106 WeakPolarHBondContact O-CB 3.3Å; L103-L106 PolarHBondContact O-N 3.47Å; L103-L106 VanDerWaalsContact O-N 3.07Å; L103-E107 PolarHBondContact O-N 2.04Å; L103-I123 HydrophobicContact CD1-CD1 3.51Å; L103-I123 HydrophobicContact CD1-CG1 3.4Å; L103-I123 HydrophobicContact CG-CD1 4.27Å
104K84Confident78.7Confident156 Ų15661.1 Ų61.168%0.67833%0.327SS*.Hα-helixtrans-60.6-35.7170.2-78.6-174.2173.8-175.10111.8A100 A101 L106 E107 G108A100-K104 PolarHBondContact O-N 2.83Å; A101-K104 PolarHBondContact O-N 3.33Å; K104-L106 VanDerWaalsContact C-N 3.34Å; K104-E107 PolarHBondContact O-N 2.77Å; K104-G108 PolarHBondContact O-N 3.46Å
105E82Confident78Confident51 Ų5169.4 Ų69.424%0.23836%0.36CS..Hα-helixtrans-67.4-34.8174.1-64.4168.9-151.900111.6S57 K58 S59 A101 A102 L103 G108 K109S57-E105 WeakPolarHBondContact CA-OE2 3.33Å; S57-E105 VanDerWaalsContact CB-OE2 3.27Å; S57-E105 WeakPolarHBondContact CB-OE2 3.28Å; S57-E105 VanDerWaalsContact OG-CD 3.22Å; S57-E105 PolarHBondContact OG-OE1 2.82Å; S57-E105 PolarHBondContact OG-OE2 3.35Å; K58-E105 PolarHBondContact N-OE2 2.78Å; S59-E105 WeakPolarHBondContact CB-OE1 3.41Å; S59-E105 PolarHBondContact N-OE1 3.12Å; S59-E105 PolarHBondContact OG-OE1 2.81Å; A101-E105 WeakPolarHBondContact O-CG 3.42Å; A101-E105 PolarHBondContact O-N 3.03Å; A102-E105 WeakPolarHBondContact O-CB 3.36Å; A102-E105 PolarHBondContact O-N 2.84Å; L103-E105 PolarHBondContact O-N 3.21Å; E105-G108 PolarHBondContact O-N 3.49Å; E105-K109 WeakPolarHBondContact O-CG 3.5Å; E105-K109 PolarHBondContact O-N 2.73Å
106L80.7Confident77.9Confident11 Ų1167.1 Ų67.16%0.05834%0.343CS..Hα-helixtrans-60.9-45.9172.3-179.671.9000111.9D49 V50 A53 A102 L103 K104 G108 K109 S110 F118D49-L106 HydrophobicContact CB-CD1 4.18Å; D49-L106 WeakPolarHBondContact O-CD1 3.35Å; V50-L106 HydrophobicContact CG2-CD2 4.18Å; A53-L106 HydrophobicContact CB-CB 3.72Å; A53-L106 HydrophobicContact CB-CD1 3.62Å; A53-L106 HydrophobicContact CB-CG 4.21Å; A102-L106 PolarHBondContact O-N 2.86Å; L103-L106 HydrophobicContact CD2-CD2 4.07Å; L103-L106 WeakPolarHBondContact O-CA 3.41Å; L103-L106 VanDerWaalsContact O-CB 3.26Å; L103-L106 WeakPolarHBondContact O-CB 3.3Å; L103-L106 PolarHBondContact O-N 3.47Å; L103-L106 VanDerWaalsContact O-N 3.07Å; K104-L106 VanDerWaalsContact C-N 3.34Å; L106-G108 VanDerWaalsContact C-N 3.25Å; L106-G108 PolarHBondContact O-N 2.9Å; L106-K109 PolarHBondContact O-N 2.94Å; L106-S110 PolarHBondContact O-N 3.38Å; L106-F118 HydrophobicContact CD1-CD2 3.81Å; L106-F118 HydrophobicContact CD1-CE2 3.96Å; L106-F118 HydrophobicContact CD2-CB 4.2Å; L106-F118 HydrophobicContact CD2-CD1 4.15Å; L106-F118 HydrophobicContact CD2-CD2 3.76Å; L106-F118 HydrophobicContact CD2-CE1 4.48Å; L106-F118 HydrophobicContact CD2-CE2 4.1Å; L106-F118 HydrophobicContact CD2-CG 3.77Å; L106-F118 HydrophobicContact CD2-CZ 4.45Å; L106-F118 HydrophobicContact CG-CB 4.23Å; L106-F118 HydrophobicContact CG-CD2 3.68Å; L106-F118 HydrophobicContact CG-CE2 4.24Å; L106-F118 HydrophobicContact CG-CG 4.02Å
107E84.2Confident77.8Confident58 Ų5867.7 Ų67.727%0.27134%0.342SS..Hα-helixtrans-59.6-38.8175.6-63.6-175145.600111.6L103 K104 S110 Q120 S121L103-E107 PolarHBondContact O-N 2.04Å; K104-E107 PolarHBondContact O-N 2.77Å; E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 3.15Å; E107-S110 PolarHBondContact O-OG 2.67Å; E107-Q120 PolarHBondContact OE1-N 3.04Å; E107-S121 VanDerWaalsContact OE1-CB 3.28Å; E107-S121 WeakPolarHBondContact OE1-CB 3.43Å; E107-S121 PolarHBondContact OE1-N 3.37Å; E107-S121 PolarHBondContact OE1-OG 2.61Å
108G75.3Confident77.8Confident50 Ų5060.8 Ų60.852%0.51531%0.31SS..Hα-helixtrans-66.2-36.2176.100000113.9K104 E105 L106K104-G108 PolarHBondContact O-N 3.46Å; E105-G108 PolarHBondContact O-N 3.49Å; L106-G108 VanDerWaalsContact C-N 3.25Å; L106-G108 PolarHBondContact O-N 2.9Å
109K68.5Low77.7Confident60 Ų6059.8 Ų59.826%0.26131%0.307SS..Hα-helixtrans-78-20.7178.1-76.8-178.8-176.1166.90114.4E56 E105 L106 K111 D112E56-K109 VanDerWaalsContact OE2-CE 3.25Å; E56-K109 WeakPolarHBondContact OE2-CE 3.13Å; E56-K109 IonicContact OE2-NZ 3.31Å; E56-K109 PolarHBondContact OE2-NZ 3.46Å; E105-K109 WeakPolarHBondContact O-CG 3.5Å; E105-K109 PolarHBondContact O-N 2.73Å; L106-K109 PolarHBondContact O-N 2.94Å; K109-K111 PolarHBondContact O-N 3.01Å; K109-D112 PolarHBondContact O-N 2.82Å
110S60.4Low77.6Confident12 Ų1266 Ų668%0.08434%0.336CS..G310 helixtrans-54-17-179.874.10000114.2L106 E107 D112 S113 R117L106-S110 PolarHBondContact O-N 3.38Å; E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 3.15Å; E107-S110 PolarHBondContact O-OG 2.67Å; S110-D112 PolarHBondContact O-N 2.79Å; S110-S113 PolarHBondContact O-N 2.67Å; S110-R117 WeakPolarHBondContact O-CG 3.4Å
111K58.8Low77.7Confident162 Ų16265.6 Ų65.670%0.70433%0.331SS*.G310 helixtrans-55.6-28169.2-66.8-174.3-179.4-178.20113.8K109K109-K111 PolarHBondContact O-N 3.01Å
112D55.1Low77.8Confident139 Ų13972.7 Ų72.774%0.74335%0.353SS*.G310 helixtrans-92.8-9.5-177-58.1-27.3000113.2K109 S110K109-D112 PolarHBondContact O-N 2.82Å; S110-D112 PolarHBondContact O-N 2.79Å
113S62Low77.8Confident36 Ų3673.4 Ų73.425%0.25236%0.357SS..  trans-79.3123.5177.5170.40000110.8S110 Y115 Y116S110-S113 PolarHBondContact O-N 2.67Å; S113-Y115 VanDerWaalsContact C-N 3.31Å; S113-Y115 PolarHBondContact O-N 3.33Å; S113-Y116 WeakPolarHBondContact CB-O 3.41Å; S113-Y116 PolarHBondContact OG-N 2.87Å; S113-Y116 PolarHBondContact OG-O 2.79Å
114T67.4Low77.9Confident124 Ų12475.1 Ų75.176%0.76137%0.367SS*.SBendtrans-70.1-25.2-178-45.40000113.4
115Y73.6Confident77.9Confident174 Ų17471.9 Ų71.968%0.68236%0.362SS*.SBendtrans-114.2-26-165.6-62.9-71.9000115.2S113S113-Y115 VanDerWaalsContact C-N 3.31Å; S113-Y115 PolarHBondContact O-N 3.33Å
116Y84.1Confident77.4Confident18 Ų1870.6 Ų70.67%0.07136%0.362CS..  trans-162.8159.9178.854.5-105.4000111.3L19 N20 I46 D49 S113 F118L19-Y116 HydrophobicContact CD1-CG 4.34Å; L19-Y116 HydrophobicContact CD2-CD2 3.77Å; L19-Y116 HydrophobicContact CD2-CE2 4.27Å; L19-Y116 HydrophobicContact CD2-CG 4.21Å; N20-Y116 WeakPolarHBondContact O-CA 3.37Å; I46-Y116 HydrophobicContact CG1-CE1 4.38Å; I46-Y116 HydrophobicContact CG1-CE2 4.32Å; I46-Y116 PolarHBondContact N-OH 3.29Å; D49-Y116 WeakPolarHBondContact OD2-CE2 3.42Å; D49-Y116 VanDerWaalsContact OD2-CZ 3.32Å; D49-Y116 PolarHBondContact OD2-OH 3.07Å; S113-Y116 WeakPolarHBondContact CB-O 3.41Å; S113-Y116 PolarHBondContact OG-N 2.87Å; S113-Y116 PolarHBondContact OG-O 2.79Å; Y116-F118 HydrophobicContact CD2-CE2 4.18Å; Y116-F118 HydrophobicContact CD2-CZ 4.31Å; Y116-F118 HydrophobicContact CE2-CD2 4.25Å; Y116-F118 HydrophobicContact CE2-CE1 4.33Å; Y116-F118 AromaticContact CE2-CE2 3.49Å; Y116-F118 HydrophobicContact CE2-CE2 3.49Å; Y116-F118 VanDerWaalsContact CE2-CE2 3.49Å; Y116-F118 AromaticContact CE2-CZ 3.54Å; Y116-F118 HydrophobicContact CE2-CZ 3.54Å
117R85Confident76.6Confident100 Ų10077.9 Ų77.938%0.37739%0.394SS..EExtended strand (participates in β ladder)trans-121.1129.6173.9-58.9-164.6176.7126.3-9.6113V18 L19 N20 D21 S110 T119V18-R117 VanDerWaalsContact O-O 3.1Å; L19-R117 CarbonylContact C-O 3.57Å; L19-R117 VanDerWaalsContact CA-O 3.32Å; L19-R117 WeakPolarHBondContact CA-O 3.02Å; N20-R117 HydrophobicContact CB-CB 4.43Å; N20-R117 PolarHBondContact N-O 3.22Å; N20-R117 PolarHBondContact O-N 3.2Å; D21-R117 IonicContact OD2-CZ 2.61Å; D21-R117 IonicContact OD2-NE 2.83Å; D21-R117 IonicContact OD2-NH1 2.82Å; D21-R117 PolarHBondContact OD2-NH1 2.98Å; S110-R117 WeakPolarHBondContact O-CG 3.4Å; R117-T119 PolarHBondContact O-N 3.13Å
118F87.8Confident75.1Confident5 Ų582 Ų822%0.02241%0.414CS..EExtended strand (participates in β ladder)trans-70.4126.3169.2-63.9-77.7000110.6T17 L19 I46 D49 L106 Y116T17-F118 HydrophobicContact CG2-CD1 3.63Å; T17-F118 HydrophobicContact CG2-CE1 4.01Å; L19-F118 HydrophobicContact CD2-CD1 3.73Å; L19-F118 HydrophobicContact CD2-CE1 3.63Å; L19-F118 HydrophobicContact CD2-CZ 4.35Å; I46-F118 HydrophobicContact CB-CZ 4.31Å; I46-F118 HydrophobicContact CG1-CE1 4.4Å; I46-F118 HydrophobicContact CG1-CZ 4.17Å; I46-F118 HydrophobicContact CG2-CE1 3.9Å; I46-F118 HydrophobicContact CG2-CZ 3.96Å; D49-F118 HydrophobicContact CB-CE2 3.63Å; D49-F118 HydrophobicContact CB-CZ 4.02Å; L106-F118 HydrophobicContact CD1-CD2 3.81Å; L106-F118 HydrophobicContact CD1-CE2 3.96Å; L106-F118 HydrophobicContact CD2-CB 4.2Å; L106-F118 HydrophobicContact CD2-CD1 4.15Å; L106-F118 HydrophobicContact CD2-CD2 3.76Å; L106-F118 HydrophobicContact CD2-CE1 4.48Å; L106-F118 HydrophobicContact CD2-CE2 4.1Å; L106-F118 HydrophobicContact CD2-CG 3.77Å; L106-F118 HydrophobicContact CD2-CZ 4.45Å; L106-F118 HydrophobicContact CG-CB 4.23Å; L106-F118 HydrophobicContact CG-CD2 3.68Å; L106-F118 HydrophobicContact CG-CE2 4.24Å; L106-F118 HydrophobicContact CG-CG 4.02Å; Y116-F118 HydrophobicContact CD2-CE2 4.18Å; Y116-F118 HydrophobicContact CD2-CZ 4.31Å; Y116-F118 HydrophobicContact CE2-CD2 4.25Å; Y116-F118 HydrophobicContact CE2-CE1 4.33Å; Y116-F118 AromaticContact CE2-CE2 3.49Å; Y116-F118 HydrophobicContact CE2-CE2 3.49Å; Y116-F118 VanDerWaalsContact CE2-CE2 3.49Å; Y116-F118 AromaticContact CE2-CZ 3.54Å; Y116-F118 HydrophobicContact CE2-CZ 3.54Å
119T87.5Confident73.8Confident30 Ų3086.3 Ų86.318%0.18443%0.426CS..EExtended strand (participates in β ladder)trans-141159174.463.80000110.5T17 V18 N20 R117 S121T17-T119 PolarHBondContact OG1-O 3.29Å; T17-T119 VanDerWaalsContact OG1-O 3.14Å; V18-T119 PolarHBondContact N-O 3.25Å; V18-T119 PolarHBondContact O-N 3Å; V18-T119 PolarHBondContact O-OG1 3.48Å; N20-T119 HydrophobicContact CB-CG2 4.37Å; N20-T119 WeakPolarHBondContact ND2-CG2 3.44Å; N20-T119 PolarHBondContact ND2-OG1 3.15Å; R117-T119 PolarHBondContact O-N 3.13Å; T119-S121 PolarHBondContact O-N 2.83Å
120Q86.8Confident72.7Confident130 Ų13091.6 Ų91.661%0.60745%0.446SS*.EExtended strand (participates in β ladder)trans57.635175-50.3177.1800113.2V18 E107 R122V18-Q120 HydrophobicContact CG2-CB 4.31Å; E107-Q120 PolarHBondContact OE1-N 3.04Å; Q120-R122 PolarHBondContact O-N 3.33Å
121S88.9Confident72.3Confident29 Ų2997.1 Ų97.120%0.20347%0.465CS..EExtended strand (participates in β ladder)trans-66.2119.9178.8-63.90000110.1T16 T17 E107 T119T16-S121 CarbonylContact O-C 3.59Å; T16-S121 VanDerWaalsContact O-CA 3.32Å; T16-S121 WeakPolarHBondContact O-CA 3.46Å; T17-S121 PolarHBondContact OG1-OG 3.01Å; E107-S121 VanDerWaalsContact OE1-CB 3.28Å; E107-S121 WeakPolarHBondContact OE1-CB 3.43Å; E107-S121 PolarHBondContact OE1-N 3.37Å; E107-S121 PolarHBondContact OE1-OG 2.61Å; T119-S121 PolarHBondContact O-N 2.83Å
122R89.2Confident72Confident174 Ų17491.5 Ų91.566%0.65745%0.449SS*.EExtended strand (participates in β ladder)trans-122.4142.7174.4-177.5178177.8-172.61.1109.9I15 T16 Q120I15-R122 WeakPolarHBondContact CA-O 3.2Å; T16-R122 PolarHBondContact N-O 2.77Å; T16-R122 PolarHBondContact O-N 3.01Å; Q120-R122 PolarHBondContact O-N 3.33Å
123I88.4Confident72.2Confident16 Ų1685.4 Ų85.48%0.08242%0.417CS..EExtended strand (participates in β ladder)trans-106.4138.8170.9-56-179.6000109.2Y13 C14 I15 E96 L99 A100 L103Y13-I123 HydrophobicContact CD1-CG2 3.81Å; Y13-I123 HydrophobicContact CG-CG2 4.13Å; C14-I123 CarbonylContact O-C 3.55Å; C14-I123 VanDerWaalsContact O-CA 3.29Å; C14-I123 WeakPolarHBondContact O-CA 3.49Å; I15-I123 HydrophobicContact CG1-CG1 4.46Å; E96-I123 HydrophobicContact CG-CB 4.43Å; E96-I123 HydrophobicContact CG-CG2 3.92Å; L99-I123 HydrophobicContact CB-CD1 3.64Å; L99-I123 HydrophobicContact CD2-CD1 3.75Å; L99-I123 HydrophobicContact CD2-CG2 4.22Å; L99-I123 HydrophobicContact CG-CD1 3.47Å; L99-I123 VanDerWaalsContact CG-CD1 3.47Å; A100-I123 HydrophobicContact CB-CD1 3.84Å; L103-I123 HydrophobicContact CD1-CD1 3.51Å; L103-I123 HydrophobicContact CD1-CG1 3.4Å; L103-I123 HydrophobicContact CG-CD1 4.27Å
124T86.9Confident71.7Confident42 Ų4291.2 Ų91.226%0.25847%0.467SS..EExtended strand (participates in β ladder)trans-132.7149.7165.8540000109.9Y13 C14 G126Y13-T124 WeakPolarHBondContact CA-O 3.34Å; C14-T124 WeakPolarHBondContact CB-OG1 3.39Å; C14-T124 PolarHBondContact N-O 2.78Å; C14-T124 PolarHBondContact O-N 2.69Å; T124-G126 PolarHBondContact O-N 3.16Å
125P82.8Confident71.9Confident88 Ų8889.6 Ų89.657%0.57145%0.453SS*.EExtended strand (participates in β ladder)trans-57.8130.2168.3-23.733.8000110.7
126G71.4Confident71.9Confident24 Ų2485.1 Ų85.125%0.24744%0.44CS..PPolyproline II helixtrans-79.4153.7170.200000110.9F12 T124F12-G126 WeakPolarHBondContact O-CA 3.29Å; F12-G126 PolarHBondContact O-N 2.87Å; T124-G126 PolarHBondContact O-N 3.16Å
127K65.3Low71.2Confident165 Ų16588.8 Ų88.872%0.71746%0.461SS*.PPolyproline II helixtrans-93.4135.1169.1-65.7-174.5179.2-178.90108.7D129 Y130K127-D129 PolarHBondContact O-N 2.98Å; K127-Y130 CarbonylContact O-C 3.59Å
128M51.5Low70.4Confident143 Ų14388.2 Ų88.270%0.70447%0.466SS*.THydrogen-bonded Turntrans-59.1-35.2179-86.2-164.6-175.500112.9F12 Y130F12-M128 HydrophobicContact CD2-CG 3.92Å; F12-M128 HydrophobicContact CE2-CG 4.06Å; M128-Y130 PolarHBondContact O-N 2.77Å
129D48.3Very low69.3Low141 Ų14193.4 Ų93.475%0.75449%0.494SS*.THydrogen-bonded Turntrans-71.7-17.1-169.1-63.4-26.7000113.9K127K127-D129 PolarHBondContact O-N 2.98Å
130Y45.2Very low68.1Low172 Ų17297.6 Ų97.668%0.67551%0.514SS*.  trans-145.5121.1177.3-63.7-89.7000106.4K127 M128 A132K127-Y130 CarbonylContact O-C 3.59Å; M128-Y130 PolarHBondContact O-N 2.77Å; Y130-A132 PolarHBondContact O-N 2.94Å
131Y52.4Low66.7Low128 Ų12895.3 Ų95.350%0.50251%0.508SS..  trans-61.556.9160.8-63.6-87.9000110.4F12 R70 Q74 V89F12-Y131 HydrophobicContact CD1-CE1 4.24Å; F12-Y131 HydrophobicContact CE1-CD1 4.33Å; F12-Y131 AromaticContact CE1-CE1 3.61Å; F12-Y131 HydrophobicContact CE1-CE1 3.61Å; F12-Y131 HydrophobicContact CZ-CE1 4.21Å; R70-Y131 PolarHBondContact NH2-OH 2.8Å; Q74-Y131 PolarHBondContact OE1-O 2.83Å; V89-Y131 HydrophobicContact CG1-CD1 4.21Å
132A52.9Low65Low44 Ų44100.4 Ų100.436%0.36453%0.531SS..  trans-129104.6-169.400000107.4Y130 A134Y130-A132 PolarHBondContact O-N 2.94Å; A132-A134 PolarHBondContact O-N 3.21Å
133C58.2Low63Low10 Ų1094.3 Ų94.37%0.06852%0.521CS..  trans-64.1120.7155.8-55.50000107.3C14 Q74 N87C14-C133 VanDerWaalsContact CA-SG 3.53Å; C14-C133 HydrophobicContact CB-CB 3.63Å; C14-C133 WeakPolarHBondContact CB-SG 3.32Å; C14-C133 WeakPolarHBondContact SG-CA 3.18Å; C14-C133 WeakPolarHBondContact SG-CB 3.37Å; C14-C133 PolarHBondContact SG-N 3.39Å; C14-C133 VanDerWaalsContact SG-N 3.37Å; C14-C133 CovalentContact SG-SG 2.04Å; C14-C133 PolarHBondContact SG-SG 3.06Å; Q74-C133 PolarHBondContact OE1-SG 3.1Å; N87-C133 HydrophobicContact CB-CB 4.06Å
134A52.8Low60.7Low158 Ų158101.4 Ų101.4100%1.30656%0.561SS**  trans-55.10-179.400000112.1A132A132-A134 PolarHBondContact O-N 3.21Å

Retrieved 134 of 134 residues in 264.7 ms (Link to these results)

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