A0A077ZFV8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M50.6Low80.4Confident80 Ų80103.5 Ų103.539%0.39447%0.473SS..  0135.80-85.1179.1-109.400110.1R3 F34 T36M1-R3 HydrophobicContact CB-CB 4.43Å; M1-R3 HydrophobicContact CB-CG 3.99Å; M1-R3 VanDerWaalsContact CE-NH1 3.27Å; M1-R3 PolarHBondContact O-N 3.34Å; M1-R3 HydrophobicContact SD-CG 4.31Å; M1-R3 PolarHBondContact SD-NE 2.88Å; M1-R3 PolarHBondContact SD-NH1 2.85Å; M1-R3 VanDerWaalsContact SD-NH1 3.35Å; M1-F34 HydrophobicContact CB-CE1 4.29Å; M1-F34 HydrophobicContact CE-CB 4.31Å; M1-F34 HydrophobicContact CE-CD1 4.45Å; M1-F34 HydrophobicContact CE-CD2 4.23Å; M1-F34 HydrophobicContact CE-CG 4.06Å; M1-F34 HydrophobicContact CG-CD1 3.65Å; M1-F34 HydrophobicContact CG-CD2 4.09Å; M1-F34 HydrophobicContact CG-CE1 3.37Å; M1-F34 HydrophobicContact CG-CE2 3.83Å; M1-F34 HydrophobicContact CG-CG 4.01Å; M1-F34 HydrophobicContact CG-CZ 3.47Å; M1-F34 VanDerWaalsContact CG-CZ 3.47Å; M1-F34 HydrophobicContact SD-CD2 4.32Å; M1-F34 HydrophobicContact SD-CE2 4.31Å; M1-T36 PolarHBondContact N-OG1 3.18Å
2R53.5Low81.7Confident222 Ų22299.7 Ų99.784%0.83847%0.474SS*.  trans-7555.5165-73.9-169.4-176.4-168.6-1.3110.2
3R67.2Low82.8Confident121 Ų12198.6 Ų98.646%0.45748%0.477SS..  trans-73.7137.8169.5-85167.9170.4163.60.7106.9M1 Y5M1-R3 HydrophobicContact CB-CB 4.43Å; M1-R3 HydrophobicContact CB-CG 3.99Å; M1-R3 VanDerWaalsContact CE-NH1 3.27Å; M1-R3 PolarHBondContact O-N 3.34Å; M1-R3 HydrophobicContact SD-CG 4.31Å; M1-R3 PolarHBondContact SD-NE 2.88Å; M1-R3 PolarHBondContact SD-NH1 2.85Å; M1-R3 VanDerWaalsContact SD-NH1 3.35Å; R3-Y5 HydrophobicContact CB-CD1 3.93Å; R3-Y5 HydrophobicContact CB-CE1 3.85Å; R3-Y5 HydrophobicContact CB-CG 4.42Å; R3-Y5 VanDerWaalsContact CD-CZ 3.47Å; R3-Y5 WeakPolarHBondContact CD-OH 3.38Å; R3-Y5 HydrophobicContact CG-CD1 4.28Å; R3-Y5 HydrophobicContact CG-CE1 3.68Å; R3-Y5 PolarHBondContact NE-OH 2.87Å; R3-Y5 VanDerWaalsContact NE-OH 3.07Å; R3-Y5 PolarHBondContact O-N 3.45Å; R3-Y5 VanDerWaalsContact O-N 3.14Å
4E78.4Confident83.8Confident204 Ų20492 Ų9295%0.95345%0.446SS*.SBendtrans-75.611176.1-62.2-176.5168.700112.3
5Y86.6Confident84.6Confident110 Ų11093.7 Ų93.743%0.43145%0.453SS..SBendtrans-139.1149.1-178.668.7-91.7000109.9R3 F10R3-Y5 HydrophobicContact CB-CD1 3.93Å; R3-Y5 HydrophobicContact CB-CE1 3.85Å; R3-Y5 HydrophobicContact CB-CG 4.42Å; R3-Y5 VanDerWaalsContact CD-CZ 3.47Å; R3-Y5 WeakPolarHBondContact CD-OH 3.38Å; R3-Y5 HydrophobicContact CG-CD1 4.28Å; R3-Y5 HydrophobicContact CG-CE1 3.68Å; R3-Y5 PolarHBondContact NE-OH 2.87Å; R3-Y5 VanDerWaalsContact NE-OH 3.07Å; R3-Y5 PolarHBondContact O-N 3.45Å; R3-Y5 VanDerWaalsContact O-N 3.14Å; Y5-F10 HydrophobicContact CE2-CB 4.5Å
6S87.7Confident85.5Confident55 Ų5595.6 Ų95.639%0.38546%0.458SS..  trans-91.5173.3177.468.80000111.6D8 D9 F10S6-D8 PolarHBondContact O-N 3.45Å; S6-D8 PolarHBondContact OG-N 3.32Å; S6-D9 WeakPolarHBondContact CB-OD2 3.13Å; S6-D9 PolarHBondContact N-OD2 2.88Å; S6-D9 PolarHBondContact O-N 2.96Å; S6-D9 VanDerWaalsContact OG-CG 3.28Å; S6-D9 PolarHBondContact OG-N 3.02Å; S6-D9 VanDerWaalsContact OG-N 3.15Å; S6-D9 PolarHBondContact OG-OD2 2.81Å; S6-F10 PolarHBondContact O-N 3.18Å
7V87.7Confident86.2Confident54 Ų5494.4 Ų94.433%0.32745%0.453SS..Hα-helixtrans-61.4-34.4170.1177.70000111.2D9 F10 R11 L68V7-D9 VanDerWaalsContact C-N 3.35Å; V7-F10 WeakPolarHBondContact O-CB 3.24Å; V7-F10 PolarHBondContact O-N 2.75Å; V7-R11 HydrophobicContact CG1-CG 4.48Å; V7-R11 VanDerWaalsContact CG1-CZ 3.48Å; V7-R11 WeakPolarHBondContact O-CG 3.36Å; V7-R11 PolarHBondContact O-N 3.11Å; V7-L68 HydrophobicContact CG1-CD1 3.71Å; V7-L68 HydrophobicContact CG1-CD2 3.7Å; V7-L68 HydrophobicContact CG1-CG 4.04Å
8D91.3Very high86.6Confident102 Ų10293.9 Ų93.955%0.54545%0.45SS..Hα-helixtrans-68.8-35.1179.1-67.7-31.7000112.2S6 F10 R11 A12S6-D8 PolarHBondContact O-N 3.45Å; S6-D8 PolarHBondContact OG-N 3.32Å; D8-F10 VanDerWaalsContact C-N 3.33Å; D8-F10 PolarHBondContact O-N 3.39Å; D8-R11 WeakPolarHBondContact O-CB 3.49Å; D8-R11 PolarHBondContact O-N 3.01Å; D8-R11 IonicContact OD1-CZ 3.1Å; D8-R11 IonicContact OD1-NH1 2.72Å; D8-R11 PolarHBondContact OD1-NH1 2.73Å; D8-A12 WeakPolarHBondContact O-CB 3.47Å; D8-A12 PolarHBondContact O-N 2.94Å
9D93Very high87.1Confident81 Ų8193.5 Ų93.543%0.43345%0.454SS..Hα-helixtrans-63-41.9171.8-61.3-54.2000111.1S6 V7 A12 V13S6-D9 WeakPolarHBondContact CB-OD2 3.13Å; S6-D9 PolarHBondContact N-OD2 2.88Å; S6-D9 PolarHBondContact O-N 2.96Å; S6-D9 VanDerWaalsContact OG-CG 3.28Å; S6-D9 PolarHBondContact OG-N 3.02Å; S6-D9 VanDerWaalsContact OG-N 3.15Å; S6-D9 PolarHBondContact OG-OD2 2.81Å; V7-D9 VanDerWaalsContact C-N 3.35Å; D9-A12 PolarHBondContact O-N 2.78Å; D9-V13 WeakPolarHBondContact O-CG2 3.41Å; D9-V13 PolarHBondContact O-N 3.28Å
10F92.9Very high87.7Confident50 Ų5093.5 Ų93.522%0.21946%0.456CS..Hα-helixtrans-60.2-46.2173.5175.9-91.2000111.4Y5 S6 V7 D8 A12 V13 V14 L68 Y72 F74Y5-F10 HydrophobicContact CE2-CB 4.5Å; S6-F10 PolarHBondContact O-N 3.18Å; V7-F10 WeakPolarHBondContact O-CB 3.24Å; V7-F10 PolarHBondContact O-N 2.75Å; D8-F10 VanDerWaalsContact C-N 3.33Å; D8-F10 PolarHBondContact O-N 3.39Å; F10-A12 VanDerWaalsContact C-N 3.31Å; F10-A12 PolarHBondContact O-N 3.21Å; F10-V13 PolarHBondContact O-N 2.93Å; F10-V14 HydrophobicContact CD1-CG2 4.14Å; F10-V14 HydrophobicContact CE1-CG2 3.68Å; F10-V14 HydrophobicContact CE2-CG2 4.16Å; F10-V14 HydrophobicContact CZ-CG2 3.69Å; F10-V14 WeakPolarHBondContact O-CG2 3.47Å; F10-V14 PolarHBondContact O-N 3.19Å; F10-L68 HydrophobicContact CD1-CD1 4.22Å; F10-L68 HydrophobicContact CD1-CD2 4.17Å; F10-L68 HydrophobicContact CE1-CD1 4.4Å; F10-L68 HydrophobicContact CE1-CD2 4.39Å; F10-Y72 HydrophobicContact CE1-CD2 4.41Å; F10-Y72 HydrophobicContact CE1-CE2 4.34Å; F10-F74 HydrophobicContact CE1-CE2 4.45Å; F10-F74 AromaticContact CE1-CZ 3.94Å; F10-F74 HydrophobicContact CE1-CZ 3.94Å; F10-F74 HydrophobicContact CZ-CE2 4.28Å; F10-F74 AromaticContact CZ-CZ 3.74Å; F10-F74 HydrophobicContact CZ-CZ 3.74Å
11R95.3Very high88Confident59 Ų5992.1 Ų92.122%0.22345%0.453CS..Hα-helixtrans-59.1-42.7176.8-69.7-178.4179.6116.15.4111.6V7 D8 V14 H15 E64 L68 Y72V7-R11 HydrophobicContact CG1-CG 4.48Å; V7-R11 VanDerWaalsContact CG1-CZ 3.48Å; V7-R11 WeakPolarHBondContact O-CG 3.36Å; V7-R11 PolarHBondContact O-N 3.11Å; D8-R11 WeakPolarHBondContact O-CB 3.49Å; D8-R11 PolarHBondContact O-N 3.01Å; D8-R11 IonicContact OD1-CZ 3.1Å; D8-R11 IonicContact OD1-NH1 2.72Å; D8-R11 PolarHBondContact OD1-NH1 2.73Å; R11-V14 PolarHBondContact O-N 3.18Å; R11-H15 VanDerWaalsContact O-CB 3.26Å; R11-H15 WeakPolarHBondContact O-CB 3.41Å; R11-H15 PolarHBondContact O-N 2.91Å; R11-E64 IonicContact NH2-OE2 3.01Å; R11-E64 PolarHBondContact NH2-OE2 3.19Å; R11-L68 HydrophobicContact CG-CD2 3.9Å; R11-Y72 VanDerWaalsContact CA-OH 3.28Å; R11-Y72 WeakPolarHBondContact CA-OH 3.21Å; R11-Y72 VanDerWaalsContact CB-OH 3.25Å; R11-Y72 WeakPolarHBondContact CB-OH 3.34Å; R11-Y72 HydrophobicContact CG-CE2 4.18Å; R11-Y72 VanDerWaalsContact CG-OH 3.3Å; R11-Y72 WeakPolarHBondContact CG-OH 3.17Å
12A96.6Very high89.9Confident58 Ų5893.7 Ų93.748%0.47947%0.469SS..Hα-helixtrans-61.6-44.4178.600000111.6D8 D9 F10 H15 F16D8-A12 WeakPolarHBondContact O-CB 3.47Å; D8-A12 PolarHBondContact O-N 2.94Å; D9-A12 PolarHBondContact O-N 2.78Å; F10-A12 VanDerWaalsContact C-N 3.31Å; F10-A12 PolarHBondContact O-N 3.21Å; A12-H15 PolarHBondContact O-N 3.2Å; A12-F16 VanDerWaalsContact O-CB 3.28Å; A12-F16 WeakPolarHBondContact O-CB 3.39Å; A12-F16 PolarHBondContact O-N 3.3Å
13V96.2Very high91.6Very high86 Ų8686 Ų8652%0.52145%0.445SS..Hα-helixtrans-63.8-48.3176.8173.80000111.3D9 F10 H15 F16 M17D9-V13 WeakPolarHBondContact O-CG2 3.41Å; D9-V13 PolarHBondContact O-N 3.28Å; F10-V13 PolarHBondContact O-N 2.93Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 3.13Å; V13-F16 PolarHBondContact O-N 3.37Å; V13-M17 HydrophobicContact CG1-CG 4.45Å; V13-M17 WeakPolarHBondContact O-CB 3.13Å; V13-M17 VanDerWaalsContact O-CG 3.26Å; V13-M17 WeakPolarHBondContact O-CG 3.39Å; V13-M17 PolarHBondContact O-N 3.1Å
14V96.7Very high92.9Very high6 Ų682.7 Ų82.74%0.03644%0.436CS..Hα-helixtrans-61-45.1179.4174.60000110.8F10 R11 M17 Q18 I26 Y72 F74F10-V14 HydrophobicContact CD1-CG2 4.14Å; F10-V14 HydrophobicContact CE1-CG2 3.68Å; F10-V14 HydrophobicContact CE2-CG2 4.16Å; F10-V14 HydrophobicContact CZ-CG2 3.69Å; F10-V14 WeakPolarHBondContact O-CG2 3.47Å; F10-V14 PolarHBondContact O-N 3.19Å; R11-V14 PolarHBondContact O-N 3.18Å; V14-M17 PolarHBondContact O-N 3.01Å; V14-Q18 HydrophobicContact CG1-CG 4.37Å; V14-Q18 WeakPolarHBondContact O-CG 3.25Å; V14-Q18 PolarHBondContact O-N 2.86Å; V14-I26 HydrophobicContact CG1-CD1 3.99Å; V14-Y72 HydrophobicContact CB-CE1 4.1Å; V14-Y72 HydrophobicContact CG1-CD1 3.46Å; V14-Y72 VanDerWaalsContact CG1-CD1 3.46Å; V14-Y72 HydrophobicContact CG1-CD2 4.45Å; V14-Y72 HydrophobicContact CG1-CE1 3.44Å; V14-Y72 VanDerWaalsContact CG1-CE1 3.44Å; V14-Y72 HydrophobicContact CG1-CE2 4.44Å; V14-Y72 HydrophobicContact CG1-CG 4Å; V14-F74 HydrophobicContact CG1-CE1 4.21Å; V14-F74 HydrophobicContact CG1-CZ 4.47Å; V14-F74 HydrophobicContact CG2-CE1 4.34Å; V14-F74 HydrophobicContact CG2-CZ 4.26Å
15H96.2Very high93.6Very high118 Ų11874.6 Ų74.655%0.54640%0.402SS..Hα-helixtrans-63.8-43178.7-179.863.2000112.4R11 A12 V13 M17 Q18 T19R11-H15 VanDerWaalsContact O-CB 3.26Å; R11-H15 WeakPolarHBondContact O-CB 3.41Å; R11-H15 PolarHBondContact O-N 2.91Å; A12-H15 PolarHBondContact O-N 3.2Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 3.13Å; H15-M17 VanDerWaalsContact C-N 3.32Å; H15-M17 PolarHBondContact O-N 3.3Å; H15-Q18 PolarHBondContact O-N 3.13Å; H15-T19 PolarHBondContact CE1-OG1 3.47Å; H15-T19 VanDerWaalsContact O-CB 3.26Å; H15-T19 WeakPolarHBondContact O-CB 3.46Å; H15-T19 PolarHBondContact O-N 3.39Å; H15-T19 PolarHBondContact O-OG1 3.37Å
16F97.8Very high94Very high123 Ų12370.9 Ų70.954%0.53939%0.389SS..Hα-helixtrans-58.9-46.5175.9178.8-92.3000111A12 V13 T19 N20A12-F16 VanDerWaalsContact O-CB 3.28Å; A12-F16 WeakPolarHBondContact O-CB 3.39Å; A12-F16 PolarHBondContact O-N 3.3Å; V13-F16 PolarHBondContact O-N 3.37Å; F16-T19 PolarHBondContact O-N 3.35Å; F16-N20 WeakPolarHBondContact CD2-ND2 3.42Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.24Å; F16-N20 WeakPolarHBondContact O-CB 3.09Å; F16-N20 PolarHBondContact O-N 2.88Å; F16-N20 PolarHBondContact O-ND2 3.1Å
17M97.1Very high94.4Very high76 Ų7671.1 Ų71.137%0.37439%0.394SS..Hα-helixtrans-63.9-48.6-180-71.1-62.7-178.900112.1V13 V14 H15 T19 N20 V21 I24 I26V13-M17 HydrophobicContact CG1-CG 4.45Å; V13-M17 WeakPolarHBondContact O-CB 3.13Å; V13-M17 VanDerWaalsContact O-CG 3.26Å; V13-M17 WeakPolarHBondContact O-CG 3.39Å; V13-M17 PolarHBondContact O-N 3.1Å; V14-M17 PolarHBondContact O-N 3.01Å; H15-M17 VanDerWaalsContact C-N 3.32Å; H15-M17 PolarHBondContact O-N 3.3Å; M17-T19 VanDerWaalsContact C-N 3.27Å; M17-T19 PolarHBondContact O-N 3.32Å; M17-N20 PolarHBondContact O-N 2.86Å; M17-V21 WeakPolarHBondContact O-CB 3.49Å; M17-V21 PolarHBondContact O-N 2.95Å; M17-I24 HydrophobicContact CB-CD1 4.18Å; M17-I26 HydrophobicContact CB-CD1 4.24Å
18Q94.3Very high94.8Very high86 Ų8669.7 Ų69.740%0.40239%0.386SS..Hα-helixtrans-63.1-33.3178.7-72.5179.7-28.700112.9V14 H15 I24 I26V14-Q18 HydrophobicContact CG1-CG 4.37Å; V14-Q18 WeakPolarHBondContact O-CG 3.25Å; V14-Q18 PolarHBondContact O-N 2.86Å; H15-Q18 PolarHBondContact O-N 3.13Å; Q18-I24 HydrophobicContact CG-CG2 4.33Å; Q18-I26 HydrophobicContact CG-CD1 3.96Å
19T96.7Very high95Very high85 Ų8569.7 Ų69.752%0.52139%0.386SS..Hα-helixtrans-74.4-39.7178.8-60.70000112.5H15 F16 M17H15-T19 PolarHBondContact CE1-OG1 3.47Å; H15-T19 VanDerWaalsContact O-CB 3.26Å; H15-T19 WeakPolarHBondContact O-CB 3.46Å; H15-T19 PolarHBondContact O-N 3.39Å; H15-T19 PolarHBondContact O-OG1 3.37Å; F16-T19 PolarHBondContact O-N 3.35Å; M17-T19 VanDerWaalsContact C-N 3.27Å; M17-T19 PolarHBondContact O-N 3.32Å
20N97.5Very high95.1Very high93 Ų9366.4 Ų66.450%0.49737%0.368SS..Hα-helixtrans-101-14.1-169.7-67.6-80.7000114.2F16 M17F16-N20 WeakPolarHBondContact CD2-ND2 3.42Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.24Å; F16-N20 WeakPolarHBondContact O-CB 3.09Å; F16-N20 PolarHBondContact O-N 2.88Å; F16-N20 PolarHBondContact O-ND2 3.1Å; M17-N20 PolarHBondContact O-N 2.86Å
21V95Very high95.2Very high65 Ų6567 Ų6739%0.39437%0.374SS..SBendtrans-121.793.5179.5-170.50000109.1M17 D23 I24M17-V21 WeakPolarHBondContact O-CB 3.49Å; M17-V21 PolarHBondContact O-N 2.95Å; V21-D23 PolarHBondContact O-N 3.37Å; V21-I24 HydrophobicContact CB-CB 3.94Å; V21-I24 HydrophobicContact CB-CD1 4.04Å; V21-I24 HydrophobicContact CB-CG2 4.33Å; V21-I24 HydrophobicContact CG1-CB 3.87Å; V21-I24 HydrophobicContact CG1-CD1 4.1Å; V21-I24 HydrophobicContact CG1-CG1 4.31Å; V21-I24 HydrophobicContact CG2-CD1 4.39Å; V21-I24 WeakPolarHBondContact O-CB 3.13Å; V21-I24 VanDerWaalsContact O-CG2 3.32Å; V21-I24 WeakPolarHBondContact O-CG2 3.32Å; V21-I24 PolarHBondContact O-N 2.83Å; V21-I24 VanDerWaalsContact O-N 3.13Å
22P89.8Confident95.1Very high113 Ų11364.2 Ų64.273%0.73436%0.363SS*.THydrogen-bonded Turntrans-54.2135.3179.8-27.735.3000112.2I24P22-I24 PolarHBondContact O-N 3.35Å
23D90Very high94.9Very high61 Ų6161.6 Ų61.633%0.32634%0.341SS..THydrogen-bonded Turntrans57.920.7-179.1-65.4-34.7000115.2V21 S25 R121 R124 A146V21-D23 PolarHBondContact O-N 3.37Å; D23-S25 PolarHBondContact O-N 3.03Å; D23-R121 PolarHBondContact O-NH2 3.45Å; D23-R121 IonicContact OD1-CZ 3.19Å; D23-R121 IonicContact OD1-NH1 3.52Å; D23-R121 PolarHBondContact OD1-NH1 3.12Å; D23-R121 IonicContact OD1-NH2 3.3Å; D23-R124 IonicContact OD1-CZ 3.36Å; D23-R124 IonicContact OD1-NH1 2.72Å; D23-R124 PolarHBondContact OD1-NH1 3.32Å; D23-R124 IonicContact OD2-NH1 3.9Å; D23-R124 PolarHBondContact OD2-NH1 2.98Å; D23-A146 VanDerWaalsContact O-CB 3.25Å; D23-A146 WeakPolarHBondContact O-CB 3.26Å
24I94.1Very high94.8Very high51 Ų5158.7 Ų58.726%0.26232%0.322SS..  trans-55.7131.5174.4-169.1164.5000111.5M17 Q18 V21 P22 I26M17-I24 HydrophobicContact CB-CD1 4.18Å; Q18-I24 HydrophobicContact CG-CG2 4.33Å; V21-I24 HydrophobicContact CB-CB 3.94Å; V21-I24 HydrophobicContact CB-CD1 4.04Å; V21-I24 HydrophobicContact CB-CG2 4.33Å; V21-I24 HydrophobicContact CG1-CB 3.87Å; V21-I24 HydrophobicContact CG1-CD1 4.1Å; V21-I24 HydrophobicContact CG1-CG1 4.31Å; V21-I24 HydrophobicContact CG2-CD1 4.39Å; V21-I24 WeakPolarHBondContact O-CB 3.13Å; V21-I24 VanDerWaalsContact O-CG2 3.32Å; V21-I24 WeakPolarHBondContact O-CG2 3.32Å; V21-I24 PolarHBondContact O-N 2.83Å; V21-I24 VanDerWaalsContact O-N 3.13Å; P22-I24 PolarHBondContact O-N 3.35Å; I24-I26 HydrophobicContact CD1-CG1 4.39Å; I24-I26 HydrophobicContact CG1-CG1 4.15Å; I24-I26 HydrophobicContact CG2-CD1 4.4Å; I24-I26 HydrophobicContact CG2-CG1 4.32Å
25S93.9Very high94.5Very high35 Ų3559.3 Ų59.325%0.24533%0.326CS..  trans-96122.9168.1-176.20000108.2D23 P75D23-S25 PolarHBondContact O-N 3.03Å; S25-P75 WeakPolarHBondContact OG-CG 3.36Å
26I95.3Very high94Very high32 Ų3256.5 Ų56.516%0.16432%0.317CS..  trans-108.6120.7-179.9-60.7174.8000108.3V14 M17 Q18 I24 F74 P75V14-I26 HydrophobicContact CG1-CD1 3.99Å; M17-I26 HydrophobicContact CB-CD1 4.24Å; Q18-I26 HydrophobicContact CG-CD1 3.96Å; I24-I26 HydrophobicContact CD1-CG1 4.39Å; I24-I26 HydrophobicContact CG1-CG1 4.15Å; I24-I26 HydrophobicContact CG2-CD1 4.4Å; I24-I26 HydrophobicContact CG2-CG1 4.32Å; I26-F74 HydrophobicContact CB-CD1 3.94Å; I26-F74 HydrophobicContact CB-CE1 4.14Å; I26-F74 HydrophobicContact CG2-CD1 3.76Å; I26-F74 HydrophobicContact CG2-CE1 3.67Å; I26-P75 VanDerWaalsContact O-CD 3.3Å; I26-P75 WeakPolarHBondContact O-CD 3.49Å; I26-P75 WeakPolarHBondContact O-CG 3.26Å
27A95.2Very high93.4Very high59 Ų5951.2 Ų51.249%0.48829%0.294SS..EExtended strand (participates in β ladder)trans-97147.9167.500000109.8T76 F78A27-T76 WeakPolarHBondContact CA-O 3.28Å; A27-T76 HydrophobicContact CB-CG2 3.93Å; A27-F78 HydrophobicContact CB-CE2 4.39Å
28T95.5Very high92.4Very high25 Ų2549.1 Ų49.115%0.15329%0.285CS..EExtended strand (participates in β ladder)trans-141.9147.7176.1-169.60000111.9I69 F74 T76 V77 F78T28-I69 HydrophobicContact CG2-CD1 4.02Å; T28-F74 HydrophobicContact CG2-CB 4.42Å; T28-F74 HydrophobicContact CG2-CD2 3.7Å; T28-F74 HydrophobicContact CG2-CE2 4.04Å; T28-F74 HydrophobicContact CG2-CG 3.99Å; T28-T76 PolarHBondContact N-O 3.4Å; T28-V77 HydrophobicContact CG2-CG1 4.31Å; T28-V77 HydrophobicContact CG2-CG2 4.23Å; T28-V77 CarbonylContact O-C 3.52Å; T28-V77 VanDerWaalsContact O-CA 3.31Å; T28-V77 WeakPolarHBondContact O-CA 3.38Å; T28-F78 PolarHBondContact O-N 3.33Å
29D96Very high91.1Very high101 Ų10149.3 Ų49.354%0.5429%0.289SS..EExtended strand (participates in β ladder)trans-95.4133.6171-69.4-93.4000110.1F78D29-F78 WeakPolarHBondContact CA-O 3.25Å; D29-F78 HydrophobicContact CB-CB 4.48Å; D29-F78 WeakPolarHBondContact OD1-CB 3.3Å
30V95.7Very high89.5Confident12 Ų1250.4 Ų50.47%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-119.7129.3171.7-179.60000109.1T65 I69 V77 F78 N80 L108V30-T65 HydrophobicContact CG1-CG2 3.51Å; V30-T65 HydrophobicContact CG2-CG2 4.26Å; V30-I69 HydrophobicContact CG2-CD1 3.93Å; V30-I69 HydrophobicContact CG2-CG1 4.45Å; V30-V77 HydrophobicContact CB-CG1 4.41Å; V30-V77 HydrophobicContact CG2-CG1 3.82Å; V30-F78 PolarHBondContact N-O 2.92Å; V30-N80 PolarHBondContact O-N 3.25Å; V30-L108 HydrophobicContact CB-CD2 3.74Å; V30-L108 HydrophobicContact CG1-CD2 3.4Å; V30-L108 VanDerWaalsContact CG1-CD2 3.4Å; V30-L108 HydrophobicContact CG2-CD2 4.18Å
31I94.6Very high87.5Confident64 Ų6448.3 Ų48.333%0.32828%0.279SS..EExtended strand (participates in β ladder)trans-99.9121.2171.3-62.3173.5000107.3F34 N80 F82I31-F34 HydrophobicContact CG2-CB 4.47Å; I31-N80 CarbonylContact C-O 3.53Å; I31-N80 VanDerWaalsContact CA-O 3.3Å; I31-N80 WeakPolarHBondContact CA-O 3.26Å; I31-F82 HydrophobicContact CG2-CB 3.77Å; I31-F82 HydrophobicContact CG2-CD2 4.2Å
32C94Very high85.5Confident0 Ų048.6 Ų48.60%028%0.278CS..EExtended strand (participates in β ladder)trans-94.8137.4170.9-62.40000110.1N80 F82 R104C32-N80 PolarHBondContact N-O 2.82Å; C32-F82 PolarHBondContact O-N 3.42Å; C32-R104 HydrophobicContact CB-CB 4.16Å
33G92.3Very high83.7Confident2 Ų247.3 Ų47.32%0.02127%0.268CS..SBendtrans84.523.3175.100000113.7E37 F82G33-E37 WeakPolarHBondContact CA-OE2 3.28Å; G33-E37 VanDerWaalsContact N-CD 3.35Å; G33-E37 PolarHBondContact N-OE1 2.97Å; G33-E37 PolarHBondContact N-OE2 3.06Å; G33-F82 VanDerWaalsContact O-CB 3.27Å; G33-F82 WeakPolarHBondContact O-CB 3.44Å
34F93Very high81.8Confident26 Ų2651 Ų5111%0.11428%0.283CS..  trans-57.8138.6173.6-167.2-91.9000109.4M1 I31 T36 E37 F82 A90M1-F34 HydrophobicContact CB-CE1 4.29Å; M1-F34 HydrophobicContact CE-CB 4.31Å; M1-F34 HydrophobicContact CE-CD1 4.45Å; M1-F34 HydrophobicContact CE-CD2 4.23Å; M1-F34 HydrophobicContact CE-CG 4.06Å; M1-F34 HydrophobicContact CG-CD1 3.65Å; M1-F34 HydrophobicContact CG-CD2 4.09Å; M1-F34 HydrophobicContact CG-CE1 3.37Å; M1-F34 HydrophobicContact CG-CE2 3.83Å; M1-F34 HydrophobicContact CG-CG 4.01Å; M1-F34 HydrophobicContact CG-CZ 3.47Å; M1-F34 VanDerWaalsContact CG-CZ 3.47Å; M1-F34 HydrophobicContact SD-CD2 4.32Å; M1-F34 HydrophobicContact SD-CE2 4.31Å; I31-F34 HydrophobicContact CG2-CB 4.47Å; F34-T36 HydrophobicContact CD1-CG2 4.23Å; F34-T36 VanDerWaalsContact CD1-OG1 3.32Å; F34-T36 WeakPolarHBondContact CD1-OG1 3.47Å; F34-T36 HydrophobicContact CE1-CG2 3.93Å; F34-T36 PolarHBondContact O-N 3.38Å; F34-E37 HydrophobicContact CB-CG 4.17Å; F34-E37 WeakPolarHBondContact CB-OE1 3.44Å; F34-E37 VanDerWaalsContact N-CD 3.32Å; F34-E37 PolarHBondContact N-OE1 3.23Å; F34-E37 WeakPolarHBondContact O-CB 3.42Å; F34-E37 PolarHBondContact O-N 3.22Å; F34-F82 AromaticContact CD2-CD2 3.58Å; F34-F82 HydrophobicContact CD2-CD2 3.58Å; F34-F82 AromaticContact CD2-CE2 3.74Å; F34-F82 HydrophobicContact CD2-CE2 3.74Å; F34-F82 HydrophobicContact CE2-CD2 4.05Å; F34-F82 AromaticContact CE2-CE2 3.72Å; F34-F82 HydrophobicContact CE2-CE2 3.72Å; F34-F82 HydrophobicContact CG-CD2 4.4Å; F34-A90 HydrophobicContact CE2-CB 4.05Å; F34-A90 HydrophobicContact CZ-CB 3.75Å
35P90.4Very high79.7Confident19 Ų1950.7 Ų50.712%0.12329%0.288CS..THydrogen-bonded Turntrans-62.5-10.2-169.5-28.236.7000116.7F82 M93 L95P35-F82 HydrophobicContact CG-CD1 3.81Å; P35-F82 HydrophobicContact CG-CE1 3.34Å; P35-F82 HydrophobicContact CG-CE2 4.24Å; P35-F82 HydrophobicContact CG-CG 4.42Å; P35-F82 HydrophobicContact CG-CZ 3.59Å; P35-M93 HydrophobicContact CB-CB 3.41Å; P35-M93 VanDerWaalsContact CB-CB 3.41Å; P35-M93 HydrophobicContact CB-CG 4.29Å; P35-M93 HydrophobicContact CB-SD 4.01Å; P35-M93 HydrophobicContact CG-CB 4.09Å; P35-L95 HydrophobicContact CG-CD2 4Å
36T86.2Confident77.6Confident58 Ų5855.1 Ų55.136%0.35630%0.303SS..THydrogen-bonded Turntrans-98.2-7.8174.367.70000113.4M1 F34 M93M1-T36 PolarHBondContact N-OG1 3.18Å; F34-T36 HydrophobicContact CD1-CG2 4.23Å; F34-T36 VanDerWaalsContact CD1-OG1 3.32Å; F34-T36 WeakPolarHBondContact CD1-OG1 3.47Å; F34-T36 HydrophobicContact CE1-CG2 3.93Å; F34-T36 PolarHBondContact O-N 3.38Å; T36-M93 HydrophobicContact CG2-CE 4.49Å; T36-M93 HydrophobicContact CG2-SD 3.91Å
37E84.8Confident75.4Confident12 Ų1262.1 Ų62.16%0.05634%0.336CS..SBendtrans-64.5137.1168.4-66.5168.4-14700107.7G33 F34 D61 L96 R104G33-E37 WeakPolarHBondContact CA-OE2 3.28Å; G33-E37 VanDerWaalsContact N-CD 3.35Å; G33-E37 PolarHBondContact N-OE1 2.97Å; G33-E37 PolarHBondContact N-OE2 3.06Å; F34-E37 HydrophobicContact CB-CG 4.17Å; F34-E37 WeakPolarHBondContact CB-OE1 3.44Å; F34-E37 VanDerWaalsContact N-CD 3.32Å; F34-E37 PolarHBondContact N-OE1 3.23Å; F34-E37 WeakPolarHBondContact O-CB 3.42Å; F34-E37 PolarHBondContact O-N 3.22Å; E37-D61 HydrophobicContact CB-CB 4.42Å; E37-D61 HydrophobicContact CG-CB 3.93Å; E37-L96 HydrophobicContact CB-CD1 3.75Å; E37-L96 WeakPolarHBondContact O-CD2 3.37Å; E37-R104 VanDerWaalsContact CB-NH1 3.28Å; E37-R104 IonicContact OE2-CZ 3.96Å; E37-R104 IonicContact OE2-NE 2.7Å; E37-R104 IonicContact OE2-NH1 3.66Å; E37-R104 PolarHBondContact OE2-NH1 2.99Å
38T76.6Confident72.8Confident32 Ų3261.5 Ų61.520%0.19633%0.334CS..  trans-62.5150.8177.153.40000110.9E60 R104T38-E60 HydrophobicContact CG2-CB 4.15Å; T38-E60 WeakPolarHBondContact CG2-OE2 3.22Å; T38-R104 PolarHBondContact O-NH1 2.93Å; T38-R104 PolarHBondContact O-NH2 3.49Å
39D67.6Low70.6Confident90 Ų9071.6 Ų71.648%0.48137%0.37SS..  trans-88.8-5.8179.658.3-12.2000113.8V41 L96D39-V41 PolarHBondContact O-N 3.41Å; D39-V41 VanDerWaalsContact O-N 3.14Å; D39-L96 HydrophobicContact CB-CD2 3.48Å; D39-L96 VanDerWaalsContact CB-CD2 3.48Å
40E62.3Low68.3Low108 Ų10870.7 Ų70.751%0.50536%0.361SS..  trans-62.2113.9173.1-64.4-179.7-179.100110
41V54.9Low65.7Low49 Ų4973.9 Ų73.930%0.29739%0.389SS..  trans-101.5105.2173.1-1790000107.6D39 T43 V100D39-V41 PolarHBondContact O-N 3.41Å; D39-V41 VanDerWaalsContact O-N 3.14Å; V41-T43 HydrophobicContact CG1-CG2 4.22Å; V41-T43 PolarHBondContact O-N 3.33Å; V41-T43 VanDerWaalsContact O-N 3.15Å; V41-V100 HydrophobicContact CG2-CB 4.11Å; V41-V100 HydrophobicContact CG2-CG1 3.63Å; V41-V100 HydrophobicContact CG2-CG2 3.59Å
42D53.8Low62.9Low72 Ų7278 Ų7839%0.38542%0.417SS..  trans-78.297.8166.9-171.23.5000109.3H44 A45D42-H44 PolarHBondContact O-N 3.44Å; D42-H44 VanDerWaalsContact OD1-CB 3.29Å; D42-H44 WeakPolarHBondContact OD1-CB 3.37Å; D42-H44 IonicContact OD1-CD2 3.58Å; D42-H44 PolarHBondContact OD1-CD2 3.49Å; D42-H44 IonicContact OD1-CG 3.75Å; D42-H44 PolarHBondContact OD1-N 2.88Å; D42-A45 HydrophobicContact CB-CB 4.47Å; D42-A45 PolarHBondContact O-N 2.79Å
43T52.3Low60.1Low85 Ų8581.3 Ų81.352%0.52145%0.45SS..G310 helixtrans-62.4-20.4174.544.10000112.6V41V41-T43 HydrophobicContact CG1-CG2 4.22Å; V41-T43 PolarHBondContact O-N 3.33Å; V41-T43 VanDerWaalsContact O-N 3.15Å
44H48.9Very low57.4Low139 Ų13989.3 Ų89.364%0.64449%0.485SS*.G310 helixtrans-82-20.6-176.2-59.7-66.5000113.5D42 F46 E47D42-H44 PolarHBondContact O-N 3.44Å; D42-H44 VanDerWaalsContact OD1-CB 3.29Å; D42-H44 WeakPolarHBondContact OD1-CB 3.37Å; D42-H44 IonicContact OD1-CD2 3.58Å; D42-H44 PolarHBondContact OD1-CD2 3.49Å; D42-H44 IonicContact OD1-CG 3.75Å; D42-H44 PolarHBondContact OD1-N 2.88Å; H44-F46 PolarHBondContact O-N 3.34Å; H44-E47 PolarHBondContact O-N 3.04Å
45A51Low54.6Low44 Ų4497.8 Ų97.836%0.36453%0.525SS..G310 helixtrans-65.5-19.517900000113.6D42D42-A45 HydrophobicContact CB-CB 4.47Å; D42-A45 PolarHBondContact O-N 2.79Å
46F49.5Very low51.9Low128 Ų12898.5 Ų98.556%0.56154%0.536SS*.G310 helixtrans-84.4-29.8-177.6-160.5-102.8000113.5H44 M107H44-F46 PolarHBondContact O-N 3.34Å; F46-M107 HydrophobicContact CD2-CE 3.98Å; F46-M107 HydrophobicContact CD2-CG 3.89Å; F46-M107 HydrophobicContact CE2-CB 4.37Å; F46-M107 HydrophobicContact CE2-CG 3.9Å
47E48.6Very low49.6Very low180 Ų180100.2 Ų100.284%0.84155%0.55SS**THydrogen-bonded Turntrans-81.5-16.3-172.8-67.6-168.8155.600113.9H44H44-E47 PolarHBondContact O-N 3.04Å
48G40.1Very low47.4Very low45 Ų45105.8 Ų105.846%0.46458%0.575SS.*SBendtrans-14081-178.700000111.3F50G48-F50 PolarHBondContact O-N 3.38Å
49R50Low46Very low238 Ų238108.9 Ų108.990%0.89859%0.586SS**SBendtrans16.592.8164.8-75.2-173-107-146.2-4.7113.9A51R49-A51 PolarHBondContact O-N 2.9Å; R49-A51 VanDerWaalsContact O-N 3.13Å
50F47.6Very low46.1Very low81 Ų81108.7 Ų108.736%0.35558%0.582SS.*SBendtrans24.376.6169.2-70.2-76.9000112.8G48 V52 M66 L111G48-F50 PolarHBondContact O-N 3.38Å; F50-V52 PolarHBondContact O-N 3.11Å; F50-M66 HydrophobicContact CE1-CB 3.63Å; F50-M66 HydrophobicContact CE1-CG 4.38Å; F50-M66 HydrophobicContact CZ-CB 3.85Å; F50-M66 HydrophobicContact CZ-CE 3.78Å; F50-M66 HydrophobicContact CZ-CG 4.48Å; F50-L111 HydrophobicContact CE2-CD1 4.41Å
51A40.8Very low47.1Very low80 Ų80106.7 Ų106.766%0.66158%0.575SS**  trans-40.4105.1-178.300000110.9R49 G53R49-A51 PolarHBondContact O-N 2.9Å; R49-A51 VanDerWaalsContact O-N 3.13Å; A51-G53 PolarHBondContact O-N 2.86Å
52V35.4Very low48.7Very low151 Ų151105.3 Ų105.392%0.91556%0.564SS**THydrogen-bonded Turntrans-69113177.6-161.80000105.9F50F50-V52 PolarHBondContact O-N 3.11Å
53G35.7Very low50.3Low68 Ų68103.9 Ų103.970%0.70156%0.56SS**THydrogen-bonded Turntrans117.613.5164.400000118.8A51 Q55A51-G53 PolarHBondContact O-N 2.86Å; G53-Q55 PolarHBondContact O-N 2.85Å; G53-Q55 VanDerWaalsContact O-N 3.12Å
54F35.4Very low52Low170 Ų170102.5 Ų102.575%0.74655%0.548SS*.  trans-8390.7170.6-139.4-99.3000111.1G56F54-G56 VanDerWaalsContact C-N 3.29Å; F54-G56 PolarHBondContact O-N 3.31Å; F54-G56 VanDerWaalsContact O-N 3.14Å
55Q34.3Very low54Low205 Ų20597.7 Ų97.796%0.95853%0.528SS*.  trans-77.883164.3-65.4-172.2-69.400108G53G53-Q55 PolarHBondContact O-N 2.85Å; G53-Q55 VanDerWaalsContact O-N 3.12Å
56G35.2Very low56Low34 Ų3495.8 Ų95.835%0.35151%0.512SS..  trans-159.6108.7179.300000109.8F54F54-G56 VanDerWaalsContact C-N 3.29Å; F54-G56 PolarHBondContact O-N 3.31Å; F54-G56 VanDerWaalsContact O-N 3.14Å
57S37.9Very low58.1Low94 Ų9494.2 Ų94.266%0.65751%0.505SS*.THydrogen-bonded Turntrans-44.3150.7169.547.10000113.2
58F37.8Very low60.3Low129 Ų12986.6 Ų86.657%0.56647%0.47SS*.THydrogen-bonded Turntrans111.5-12.6171.8-62.8-74.3000119.5E60F58-E60 VanDerWaalsContact C-N 3.34Å; F58-E60 VanDerWaalsContact CD1-OE1 3.26Å; F58-E60 WeakPolarHBondContact CD1-OE1 3.32Å; F58-E60 PolarHBondContact O-N 3.29Å; F58-E60 VanDerWaalsContact O-N 3.15Å
59F46.6Very low62.9Low97 Ų9784.7 Ų84.743%0.42545%0.449SS..SBendtrans-93.850.6177.9-59.3-71.1000114.3S63F59-S63 WeakPolarHBondContact O-CB 3.49Å
60E70.2Confident65.1Low86 Ų8676.4 Ų76.440%0.40242%0.422SS..THydrogen-bonded Turn-76.9-40.6-127-87.6162.4173.400120.5T38 F58T38-E60 HydrophobicContact CG2-CB 4.15Å; T38-E60 WeakPolarHBondContact CG2-OE2 3.22Å; F58-E60 VanDerWaalsContact C-N 3.34Å; F58-E60 VanDerWaalsContact CD1-OE1 3.26Å; F58-E60 WeakPolarHBondContact CD1-OE1 3.32Å; F58-E60 PolarHBondContact O-N 3.29Å; F58-E60 VanDerWaalsContact O-N 3.15Å
61D83.7Confident67.4Low66 Ų6677.7 Ų77.735%0.35343%0.429SS..THydrogen-bonded Turntrans-119-43.2-167.8-79.3-16.1000113.9E37 E64 T65E37-D61 HydrophobicContact CB-CB 4.42Å; E37-D61 HydrophobicContact CG-CB 3.93Å; D61-E64 PolarHBondContact O-N 2.92Å; D61-T65 PolarHBondContact O-N 2.99Å; D61-T65 PolarHBondContact O-OG1 2.87Å
62F88.2Confident69.9Low19 Ų1975.4 Ų75.48%0.08340%0.404CS..Hα-helixtrans-70.2-36.9-177.2-177.7-106.5000111.6T65 M66 R104 M107 L108F62-T65 WeakPolarHBondContact O-CB 3.44Å; F62-T65 PolarHBondContact O-N 3.41Å; F62-M66 HydrophobicContact CD1-CG 4.08Å; F62-M66 HydrophobicContact CE1-CG 3.63Å; F62-M66 HydrophobicContact CE1-SD 3.87Å; F62-M66 HydrophobicContact CE2-CG 4.34Å; F62-M66 HydrophobicContact CE2-SD 4.1Å; F62-M66 HydrophobicContact CZ-CG 3.78Å; F62-M66 HydrophobicContact CZ-SD 3.45Å; F62-M66 WeakPolarHBondContact CZ-SD 3.3Å; F62-M66 WeakPolarHBondContact O-CG 3.34Å; F62-M66 PolarHBondContact O-N 3.49Å; F62-R104 HydrophobicContact CD1-CB 4.46Å; F62-R104 HydrophobicContact CD1-CG 3.76Å; F62-R104 HydrophobicContact CD2-CB 4.02Å; F62-R104 HydrophobicContact CD2-CG 3.93Å; F62-R104 HydrophobicContact CE1-CB 4.04Å; F62-R104 HydrophobicContact CE1-CG 3.72Å; F62-R104 HydrophobicContact CE2-CB 3.57Å; F62-R104 HydrophobicContact CE2-CG 3.9Å; F62-R104 HydrophobicContact CG-CB 4.45Å; F62-R104 HydrophobicContact CG-CG 3.87Å; F62-R104 HydrophobicContact CZ-CB 3.58Å; F62-R104 HydrophobicContact CZ-CG 3.79Å; F62-R104 VanDerWaalsContact CZ-O 3.29Å; F62-R104 WeakPolarHBondContact CZ-O 3.43Å; F62-M107 HydrophobicContact CE1-CB 4.38Å; F62-M107 HydrophobicContact CE1-CE 4.14Å; F62-M107 HydrophobicContact CE1-SD 4.16Å; F62-M107 HydrophobicContact CZ-CB 4.28Å; F62-L108 HydrophobicContact CE2-CB 4.45Å; F62-L108 HydrophobicContact CZ-CB 4.34Å
63S87.7Confident72.8Confident43 Ų4373 Ų7330%0.30138%0.381SS..Hα-helixtrans-62.3-45176.1-173.80000111.5F59 T65 M66 K67F59-S63 WeakPolarHBondContact O-CB 3.49Å; S63-T65 VanDerWaalsContact C-N 3.29Å; S63-T65 PolarHBondContact O-N 3.27Å; S63-M66 PolarHBondContact O-N 3.22Å; S63-M66 VanDerWaalsContact O-N 3.16Å; S63-K67 WeakPolarHBondContact O-CG 3.39Å; S63-K67 PolarHBondContact O-N 3.07Å
64E87Confident75.7Confident56 Ų5669.9 Ų69.926%0.26235%0.348SS..Hα-helixtrans-61.9-38.6174.2-72.2-56.1122.500111.9R11 D61 K67 L68R11-E64 IonicContact NH2-OE2 3.01Å; R11-E64 PolarHBondContact NH2-OE2 3.19Å; D61-E64 PolarHBondContact O-N 2.92Å; E64-K67 PolarHBondContact O-N 2.92Å; E64-K67 WeakPolarHBondContact OE1-CD 3.42Å; E64-K67 WeakPolarHBondContact OE1-CE 3.18Å; E64-K67 IonicContact OE1-NZ 3.5Å; E64-K67 PolarHBondContact OE1-NZ 3.24Å; E64-L68 VanDerWaalsContact O-CG 3.32Å; E64-L68 WeakPolarHBondContact O-CG 3.26Å; E64-L68 PolarHBondContact O-N 3.33Å
65T91.7Very high78.5Confident37 Ų3762.8 Ų62.823%0.22732%0.32CS..Hα-helixtrans-59.4-48172.5-58.60000111.3V30 D61 F62 S63 K67 L68 I69V30-T65 HydrophobicContact CG1-CG2 3.51Å; V30-T65 HydrophobicContact CG2-CG2 4.26Å; D61-T65 PolarHBondContact O-N 2.99Å; D61-T65 PolarHBondContact O-OG1 2.87Å; F62-T65 WeakPolarHBondContact O-CB 3.44Å; F62-T65 PolarHBondContact O-N 3.41Å; S63-T65 VanDerWaalsContact C-N 3.29Å; S63-T65 PolarHBondContact O-N 3.27Å; T65-K67 VanDerWaalsContact C-N 3.33Å; T65-K67 PolarHBondContact O-N 3.14Å; T65-L68 PolarHBondContact O-N 3.3Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.31Å; T65-I69 PolarHBondContact O-N 2.7Å; T65-I69 VanDerWaalsContact O-N 3.09Å
66M93Very high81.4Confident5 Ų555.2 Ų55.23%0.02529%0.287CS..Hα-helixtrans-60.5-41.8177.1-65.4-65.6-72.200111.9F50 F62 S63 L68 I69 D70 M107 L108 L111F50-M66 HydrophobicContact CE1-CB 3.63Å; F50-M66 HydrophobicContact CE1-CG 4.38Å; F50-M66 HydrophobicContact CZ-CB 3.85Å; F50-M66 HydrophobicContact CZ-CE 3.78Å; F50-M66 HydrophobicContact CZ-CG 4.48Å; F62-M66 HydrophobicContact CD1-CG 4.08Å; F62-M66 HydrophobicContact CE1-CG 3.63Å; F62-M66 HydrophobicContact CE1-SD 3.87Å; F62-M66 HydrophobicContact CE2-CG 4.34Å; F62-M66 HydrophobicContact CE2-SD 4.1Å; F62-M66 HydrophobicContact CZ-CG 3.78Å; F62-M66 HydrophobicContact CZ-SD 3.45Å; F62-M66 WeakPolarHBondContact CZ-SD 3.3Å; F62-M66 WeakPolarHBondContact O-CG 3.34Å; F62-M66 PolarHBondContact O-N 3.49Å; S63-M66 PolarHBondContact O-N 3.22Å; S63-M66 VanDerWaalsContact O-N 3.16Å; M66-L68 PolarHBondContact O-N 3.21Å; M66-I69 PolarHBondContact O-N 3.15Å; M66-D70 WeakPolarHBondContact O-CB 3.41Å; M66-D70 PolarHBondContact O-N 3.37Å; M66-M107 HydrophobicContact CE-CB 4.12Å; M66-L108 HydrophobicContact SD-CB 3.84Å; M66-L108 HydrophobicContact SD-CD1 3.67Å; M66-L108 HydrophobicContact SD-CG 4.33Å; M66-L111 HydrophobicContact CB-CD2 4.41Å; M66-L111 HydrophobicContact CE-CB 3.72Å; M66-L111 HydrophobicContact CE-CD2 3.64Å; M66-L111 HydrophobicContact CE-CG 4.29Å; M66-L111 WeakPolarHBondContact O-CD2 3.27Å; M66-L111 HydrophobicContact SD-CD2 4.17Å
67K92.9Very high84.4Confident95 Ų9554.3 Ų54.341%0.41328%0.275SS..Hα-helixtrans-61.3-43.3176.2-70.4175.3-167.8169.70112.1S63 E64 T65 I69 D70 Q71S63-K67 WeakPolarHBondContact O-CG 3.39Å; S63-K67 PolarHBondContact O-N 3.07Å; E64-K67 PolarHBondContact O-N 2.92Å; E64-K67 WeakPolarHBondContact OE1-CD 3.42Å; E64-K67 WeakPolarHBondContact OE1-CE 3.18Å; E64-K67 IonicContact OE1-NZ 3.5Å; E64-K67 PolarHBondContact OE1-NZ 3.24Å; T65-K67 VanDerWaalsContact C-N 3.33Å; T65-K67 PolarHBondContact O-N 3.14Å; K67-I69 VanDerWaalsContact C-N 3.33Å; K67-I69 PolarHBondContact O-N 3.14Å; K67-D70 PolarHBondContact O-N 3.05Å; K67-Q71 WeakPolarHBondContact O-CB 3.41Å; K67-Q71 PolarHBondContact O-N 3.04Å
68L94.6Very high87.2Confident20 Ų2055.1 Ų55.111%0.10527%0.267CS..Hα-helixtrans-62.1-42.8177.1-69.5169.2000111.5V7 F10 R11 E64 T65 M66 Q71 Y72V7-L68 HydrophobicContact CG1-CD1 3.71Å; V7-L68 HydrophobicContact CG1-CD2 3.7Å; V7-L68 HydrophobicContact CG1-CG 4.04Å; F10-L68 HydrophobicContact CD1-CD1 4.22Å; F10-L68 HydrophobicContact CD1-CD2 4.17Å; F10-L68 HydrophobicContact CE1-CD1 4.4Å; F10-L68 HydrophobicContact CE1-CD2 4.39Å; R11-L68 HydrophobicContact CG-CD2 3.9Å; E64-L68 VanDerWaalsContact O-CG 3.32Å; E64-L68 WeakPolarHBondContact O-CG 3.26Å; E64-L68 PolarHBondContact O-N 3.33Å; T65-L68 PolarHBondContact O-N 3.3Å; M66-L68 PolarHBondContact O-N 3.21Å; L68-Q71 PolarHBondContact O-N 3.38Å; L68-Y72 HydrophobicContact CD2-CD2 4.39Å; L68-Y72 HydrophobicContact CD2-CE2 3.89Å; L68-Y72 VanDerWaalsContact O-CD2 3.26Å; L68-Y72 WeakPolarHBondContact O-CD2 3.49Å; L68-Y72 PolarHBondContact O-N 2.98Å
69I95.9Very high90.1Very high4 Ų450.8 Ų50.82%0.02125%0.249CC..Hα-helixtrans-67.7-40.5-179.5-61.6-65.4000111T28 V30 T65 M66 K67 K73 F74 V77 L108 L111 Y115T28-I69 HydrophobicContact CG2-CD1 4.02Å; V30-I69 HydrophobicContact CG2-CD1 3.93Å; V30-I69 HydrophobicContact CG2-CG1 4.45Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.31Å; T65-I69 PolarHBondContact O-N 2.7Å; T65-I69 VanDerWaalsContact O-N 3.09Å; M66-I69 PolarHBondContact O-N 3.15Å; K67-I69 VanDerWaalsContact C-N 3.33Å; K67-I69 PolarHBondContact O-N 3.14Å; I69-K73 WeakPolarHBondContact O-CA 3.26Å; I69-K73 PolarHBondContact O-N 3.42Å; I69-F74 HydrophobicContact CD1-CD2 3.68Å; I69-F74 HydrophobicContact CD1-CE2 3.99Å; I69-V77 HydrophobicContact CD1-CG1 4.09Å; I69-V77 HydrophobicContact CD1-CG2 4.1Å; I69-L108 HydrophobicContact CB-CD1 4.08Å; I69-L108 HydrophobicContact CG1-CD1 3.81Å; I69-L108 HydrophobicContact CG2-CD1 3.93Å; I69-L111 HydrophobicContact CB-CD2 3.96Å; I69-L111 HydrophobicContact CG2-CD2 3.82Å; I69-L111 HydrophobicContact CG2-CG 4.22Å; I69-Y115 HydrophobicContact CG2-CE1 3.99Å
70D95.4Very high92.5Very high64 Ų6450.1 Ų50.134%0.34225%0.25SC..Hα-helixtrans-69.7-37.8175.7-172.849.6000112.6M66 K67 K73 L111M66-D70 WeakPolarHBondContact O-CB 3.41Å; M66-D70 PolarHBondContact O-N 3.37Å; K67-D70 PolarHBondContact O-N 3.05Å; D70-K73 WeakPolarHBondContact O-CE 3.41Å; D70-K73 WeakPolarHBondContact O-CG 3.34Å; D70-L111 HydrophobicContact CB-CD1 4.07Å; D70-L111 HydrophobicContact CB-CD2 4.12Å
71Q95Very high93.8Very high108 Ų10850.5 Ų50.551%0.50525%0.252SS..Hα-helixtrans-64.7-50178.2178.4-178.2-4.400111.7K67 L68K67-Q71 WeakPolarHBondContact O-CB 3.41Å; K67-Q71 PolarHBondContact O-N 3.04Å; L68-Q71 PolarHBondContact O-N 3.38Å
72Y95Very high94.4Very high32 Ų3249.1 Ų49.113%0.12524%0.243CC..Hα-helixtrans-92.9-18-172.4-68.7-66.2000114F10 R11 V14 L68 F74F10-Y72 HydrophobicContact CE1-CD2 4.41Å; F10-Y72 HydrophobicContact CE1-CE2 4.34Å; R11-Y72 VanDerWaalsContact CA-OH 3.28Å; R11-Y72 WeakPolarHBondContact CA-OH 3.21Å; R11-Y72 VanDerWaalsContact CB-OH 3.25Å; R11-Y72 WeakPolarHBondContact CB-OH 3.34Å; R11-Y72 HydrophobicContact CG-CE2 4.18Å; R11-Y72 VanDerWaalsContact CG-OH 3.3Å; R11-Y72 WeakPolarHBondContact CG-OH 3.17Å; V14-Y72 HydrophobicContact CB-CE1 4.1Å; V14-Y72 HydrophobicContact CG1-CD1 3.46Å; V14-Y72 VanDerWaalsContact CG1-CD1 3.46Å; V14-Y72 HydrophobicContact CG1-CD2 4.45Å; V14-Y72 HydrophobicContact CG1-CE1 3.44Å; V14-Y72 VanDerWaalsContact CG1-CE1 3.44Å; V14-Y72 HydrophobicContact CG1-CE2 4.44Å; V14-Y72 HydrophobicContact CG1-CG 4Å; L68-Y72 HydrophobicContact CD2-CD2 4.39Å; L68-Y72 HydrophobicContact CD2-CE2 3.89Å; L68-Y72 VanDerWaalsContact O-CD2 3.26Å; L68-Y72 WeakPolarHBondContact O-CD2 3.49Å; L68-Y72 PolarHBondContact O-N 2.98Å; Y72-F74 VanDerWaalsContact C-N 3.3Å; Y72-F74 HydrophobicContact CD2-CE2 4.09Å; Y72-F74 AromaticContact CD2-CZ 3.76Å; Y72-F74 HydrophobicContact CD2-CZ 3.76Å; Y72-F74 HydrophobicContact CG-CE1 4.25Å; Y72-F74 HydrophobicContact CG-CE2 4.19Å; Y72-F74 AromaticContact CG-CZ 3.72Å; Y72-F74 HydrophobicContact CG-CZ 3.72Å; Y72-F74 PolarHBondContact O-N 3.34Å
73K95.3Very high94.7Very high101 Ų10155.6 Ų55.644%0.43927%0.268SS..  trans47.452.8177.9-59.4-174.7175.1-179.30112.1I69 D70 Y115 P117I69-K73 WeakPolarHBondContact O-CA 3.26Å; I69-K73 PolarHBondContact O-N 3.42Å; D70-K73 WeakPolarHBondContact O-CE 3.41Å; D70-K73 WeakPolarHBondContact O-CG 3.34Å; K73-Y115 VanDerWaalsContact C-CE2 3.41Å; K73-Y115 HydrophobicContact CB-CD1 4.45Å; K73-Y115 HydrophobicContact CB-CD2 3.7Å; K73-Y115 HydrophobicContact CB-CE2 3.84Å; K73-Y115 HydrophobicContact CB-CG 4.03Å; K73-Y115 HydrophobicContact CD-CG 4.27Å; K73-Y115 HydrophobicContact CG-CD1 4.21Å; K73-Y115 HydrophobicContact CG-CD2 4.19Å; K73-Y115 HydrophobicContact CG-CG 3.99Å; K73-P117 WeakPolarHBondContact O-CB 3.32Å
74F96.3Very high94.9Very high2 Ų255.4 Ų55.41%0.00927%0.265CS..  trans-56.4135.2-173.4-65-72.4000111.7F10 V14 I26 T28 I69 Y72 T76 V77 F112 Y115F10-F74 HydrophobicContact CE1-CE2 4.45Å; F10-F74 AromaticContact CE1-CZ 3.94Å; F10-F74 HydrophobicContact CE1-CZ 3.94Å; F10-F74 HydrophobicContact CZ-CE2 4.28Å; F10-F74 AromaticContact CZ-CZ 3.74Å; F10-F74 HydrophobicContact CZ-CZ 3.74Å; V14-F74 HydrophobicContact CG1-CE1 4.21Å; V14-F74 HydrophobicContact CG1-CZ 4.47Å; V14-F74 HydrophobicContact CG2-CE1 4.34Å; V14-F74 HydrophobicContact CG2-CZ 4.26Å; I26-F74 HydrophobicContact CB-CD1 3.94Å; I26-F74 HydrophobicContact CB-CE1 4.14Å; I26-F74 HydrophobicContact CG2-CD1 3.76Å; I26-F74 HydrophobicContact CG2-CE1 3.67Å; T28-F74 HydrophobicContact CG2-CB 4.42Å; T28-F74 HydrophobicContact CG2-CD2 3.7Å; T28-F74 HydrophobicContact CG2-CE2 4.04Å; T28-F74 HydrophobicContact CG2-CG 3.99Å; I69-F74 HydrophobicContact CD1-CD2 3.68Å; I69-F74 HydrophobicContact CD1-CE2 3.99Å; Y72-F74 VanDerWaalsContact C-N 3.3Å; Y72-F74 HydrophobicContact CD2-CE2 4.09Å; Y72-F74 AromaticContact CD2-CZ 3.76Å; Y72-F74 HydrophobicContact CD2-CZ 3.76Å; Y72-F74 HydrophobicContact CG-CE1 4.25Å; Y72-F74 HydrophobicContact CG-CE2 4.19Å; Y72-F74 AromaticContact CG-CZ 3.72Å; Y72-F74 HydrophobicContact CG-CZ 3.72Å; Y72-F74 PolarHBondContact O-N 3.34Å; F74-T76 PolarHBondContact O-N 2.89Å; F74-V77 HydrophobicContact CB-CG2 3.82Å; F74-F112 WeakPolarHBondContact O-CE2 3.45Å; F74-Y115 PolarHBondContact N-OH 2.91Å; F74-Y115 WeakPolarHBondContact O-CE2 3.49Å; F74-Y115 PolarHBondContact O-OH 3.3Å; F74-Y115 VanDerWaalsContact O-OH 3.11Å
75P95Very high95.3Very high22 Ų2260.4 Ų60.414%0.14328%0.282CS..SBendtrans-63.1-23.2177.320.6-31.6000114.4S25 I26 P117 Y118S25-P75 WeakPolarHBondContact OG-CG 3.36Å; I26-P75 VanDerWaalsContact O-CD 3.3Å; I26-P75 WeakPolarHBondContact O-CD 3.49Å; I26-P75 WeakPolarHBondContact O-CG 3.26Å; P75-P117 HydrophobicContact CB-CB 4.08Å; P75-P117 HydrophobicContact CB-CG 4.34Å; P75-Y118 HydrophobicContact CB-CE1 3.58Å; P75-Y118 HydrophobicContact CB-CE2 4.32Å; P75-Y118 VanDerWaalsContact CB-CZ 3.45Å; P75-Y118 VanDerWaalsContact CB-OH 3.22Å; P75-Y118 WeakPolarHBondContact CB-OH 3.33Å
76T95.8Very high95.4Very high45 Ų4564.5 Ų64.528%0.27631%0.309SS..EExtended strand (participates in β ladder)trans-142.2124.3179.4-61.80000109.7A27 T28 F74 F78A27-T76 WeakPolarHBondContact CA-O 3.28Å; A27-T76 HydrophobicContact CB-CG2 3.93Å; T28-T76 PolarHBondContact N-O 3.4Å; F74-T76 PolarHBondContact O-N 2.89Å; T76-F78 HydrophobicContact CG2-CD2 4.34Å; T76-F78 HydrophobicContact CG2-CE1 4.24Å; T76-F78 HydrophobicContact CG2-CE2 3.8Å; T76-F78 HydrophobicContact CG2-CZ 3.74Å
77V97.3Very high95.4Very high15 Ų1568.6 Ų68.69%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-129.3114.8175.9-173.90000108.6T28 V30 I69 F74 I79 F112T28-V77 HydrophobicContact CG2-CG1 4.31Å; T28-V77 HydrophobicContact CG2-CG2 4.23Å; T28-V77 CarbonylContact O-C 3.52Å; T28-V77 VanDerWaalsContact O-CA 3.31Å; T28-V77 WeakPolarHBondContact O-CA 3.38Å; V30-V77 HydrophobicContact CB-CG1 4.41Å; V30-V77 HydrophobicContact CG2-CG1 3.82Å; I69-V77 HydrophobicContact CD1-CG1 4.09Å; I69-V77 HydrophobicContact CD1-CG2 4.1Å; F74-V77 HydrophobicContact CB-CG2 3.82Å; V77-I79 HydrophobicContact CG1-CG1 3.85Å; V77-I79 PolarHBondContact O-N 2.63Å; V77-F112 HydrophobicContact CB-CD2 3.92Å; V77-F112 HydrophobicContact CB-CE2 4.22Å; V77-F112 HydrophobicContact CG2-CD2 3.63Å; V77-F112 HydrophobicContact CG2-CE2 3.94Å
78F97.7Very high95.4Very high111 Ų11167 Ų6749%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-85.9102.7173.7-63.7-69000109.2A27 T28 D29 V30 T76A27-F78 HydrophobicContact CB-CE2 4.39Å; T28-F78 PolarHBondContact O-N 3.33Å; D29-F78 WeakPolarHBondContact CA-O 3.25Å; D29-F78 HydrophobicContact CB-CB 4.48Å; D29-F78 WeakPolarHBondContact OD1-CB 3.3Å; V30-F78 PolarHBondContact N-O 2.92Å; T76-F78 HydrophobicContact CG2-CD2 4.34Å; T76-F78 HydrophobicContact CG2-CE1 4.24Å; T76-F78 HydrophobicContact CG2-CE2 3.8Å; T76-F78 HydrophobicContact CG2-CZ 3.74Å
79I98Very high95.2Very high38 Ų3873 Ų7320%0.19538%0.376CS..EExtended strand (participates in β ladder)trans-92.7109.9-177.5-55.2168.9000108.9V77 T105 L108V77-I79 HydrophobicContact CG1-CG1 3.85Å; V77-I79 PolarHBondContact O-N 2.63Å; I79-T105 HydrophobicContact CG2-CG2 3.9Å; I79-L108 HydrophobicContact CB-CD2 4.48Å; I79-L108 HydrophobicContact CD1-CB 4.21Å; I79-L108 HydrophobicContact CD1-CD2 4.1Å; I79-L108 HydrophobicContact CD1-CG 3.69Å; I79-L108 HydrophobicContact CG1-CD2 3.82Å; I79-L108 HydrophobicContact CG1-CG 3.98Å; I79-L108 HydrophobicContact CG2-CD2 3.96Å
80N97.4Very high95Very high83 Ų8373.3 Ų73.344%0.44438%0.38SS..EExtended strand (participates in β ladder)trans-117.7145.9179.9-68.8-57.3000110.6V30 I31 C32V30-N80 PolarHBondContact O-N 3.25Å; I31-N80 CarbonylContact C-O 3.53Å; I31-N80 VanDerWaalsContact CA-O 3.3Å; I31-N80 WeakPolarHBondContact CA-O 3.26Å; C32-N80 PolarHBondContact N-O 2.82Å
81Q97Very high94.8Very high94 Ų9472 Ų7244%0.43938%0.378SS..EExtended strand (participates in β ladder)trans-84.7144.8169.5-65-175.94.800110Y83 V101 T105Q81-Y83 PolarHBondContact O-N 2.93Å; Q81-V101 HydrophobicContact CB-CG1 3.83Å; Q81-V101 HydrophobicContact CG-CG1 3.66Å; Q81-T105 VanDerWaalsContact CG-OG1 3.31Å; Q81-T105 WeakPolarHBondContact CG-OG1 3.39Å; Q81-T105 PolarHBondContact NE2-OG1 3.5Å; Q81-T105 VanDerWaalsContact NE2-OG1 3.08Å
82F95.4Very high94.8Very high37 Ų3771.5 Ų71.516%0.16239%0.392CS..  trans-58.9130.3176.5178.2-100.6000111I31 C32 G33 F34 P35 P84 A90 L95I31-F82 HydrophobicContact CG2-CB 3.77Å; I31-F82 HydrophobicContact CG2-CD2 4.2Å; C32-F82 PolarHBondContact O-N 3.42Å; G33-F82 VanDerWaalsContact O-CB 3.27Å; G33-F82 WeakPolarHBondContact O-CB 3.44Å; F34-F82 AromaticContact CD2-CD2 3.58Å; F34-F82 HydrophobicContact CD2-CD2 3.58Å; F34-F82 AromaticContact CD2-CE2 3.74Å; F34-F82 HydrophobicContact CD2-CE2 3.74Å; F34-F82 HydrophobicContact CE2-CD2 4.05Å; F34-F82 AromaticContact CE2-CE2 3.72Å; F34-F82 HydrophobicContact CE2-CE2 3.72Å; F34-F82 HydrophobicContact CG-CD2 4.4Å; P35-F82 HydrophobicContact CG-CD1 3.81Å; P35-F82 HydrophobicContact CG-CE1 3.34Å; P35-F82 HydrophobicContact CG-CE2 4.24Å; P35-F82 HydrophobicContact CG-CG 4.42Å; P35-F82 HydrophobicContact CG-CZ 3.59Å; F82-P84 HydrophobicContact CE1-CB 4.45Å; F82-P84 HydrophobicContact CE1-CG 3.91Å; F82-A90 HydrophobicContact CE2-CB 3.96Å; F82-A90 HydrophobicContact CZ-CB 3.72Å; F82-L95 HydrophobicContact CD1-CD2 3.92Å; F82-L95 HydrophobicContact CE1-CD2 3.6Å
83Y94.5Very high94.7Very high156 Ų15673.6 Ų73.661%0.61240%0.404SS*.  trans-126.9123.4172.6180-95.5000109.4Q81 R85Q81-Y83 PolarHBondContact O-N 2.93Å; Y83-R85 PolarHBondContact O-N 3.13Å
84P93.8Very high94.6Very high38 Ų3877.2 Ų77.225%0.24742%0.419CS..PPolyproline II helixtrans-55.5123.5178.1-26.534.9000112.1F82 A91 L95F82-P84 HydrophobicContact CE1-CB 4.45Å; F82-P84 HydrophobicContact CE1-CG 3.91Å; P84-A91 HydrophobicContact CB-CB 3.87Å; P84-L95 HydrophobicContact CG-CD1 4.09Å; P84-L95 HydrophobicContact CG-CD2 4.02Å
85R94.7Very high94.3Very high161 Ų16181.3 Ų81.361%0.60844%0.441SS*.PPolyproline II helixtrans-96.6121.1172-61.7-59.9-174.9-177.50.3109.6Y83 G87 T88 A91Y83-R85 PolarHBondContact O-N 3.13Å; R85-G87 PolarHBondContact O-N 3.41Å; R85-T88 HydrophobicContact CB-CG2 3.79Å; R85-T88 WeakPolarHBondContact O-CB 3.5Å; R85-T88 WeakPolarHBondContact O-CG2 3.27Å; R85-T88 PolarHBondContact O-N 3.14Å; R85-T88 VanDerWaalsContact O-N 3.14Å; R85-T88 PolarHBondContact O-OG1 3.28Å; R85-A91 VanDerWaalsContact O-CB 3.23Å; R85-A91 WeakPolarHBondContact O-CB 3.46Å
86P94.2Very high94.1Very high124 Ų12481.1 Ų81.181%0.80544%0.439SS*.THydrogen-bonded Turntrans-49.8138.4178.7-28.635.2000112.3T88P86-T88 VanDerWaalsContact C-N 3.3Å; P86-T88 PolarHBondContact O-N 3.46Å
87G92.9Very high93.9Very high91 Ų9182.3 Ų82.394%0.93845%0.447SS*.THydrogen-bonded Turntrans81.9-5.9-17900000115.8R85R85-G87 PolarHBondContact O-N 3.41Å
88T92.4Very high93.7Very high62 Ų6286.1 Ų86.138%0.3847%0.47SS..SBendtrans-88.3150175.467.90000112.1R85 P86 A90 A91R85-T88 HydrophobicContact CB-CG2 3.79Å; R85-T88 WeakPolarHBondContact O-CB 3.5Å; R85-T88 WeakPolarHBondContact O-CG2 3.27Å; R85-T88 PolarHBondContact O-N 3.14Å; R85-T88 VanDerWaalsContact O-N 3.14Å; R85-T88 PolarHBondContact O-OG1 3.28Å; P86-T88 VanDerWaalsContact C-N 3.3Å; P86-T88 PolarHBondContact O-N 3.46Å; T88-A90 PolarHBondContact O-N 2.73Å; T88-A91 PolarHBondContact O-N 3.26Å; T88-A91 VanDerWaalsContact O-N 3.13Å; T88-A91 PolarHBondContact OG1-N 3.09Å
89K90.5Very high93.4Very high144 Ų14486.9 Ų86.963%0.62648%0.476SS*.G310 helixtrans-57.7-36.4172.6-70.5-177.5178.6175.10112.1A91 A92 M93K89-A91 VanDerWaalsContact C-N 3.27Å; K89-A91 PolarHBondContact O-N 3.42Å; K89-A92 PolarHBondContact O-N 3.26Å; K89-M93 HydrophobicContact CB-CE 4.3Å
90A90.6Very high93Very high12 Ų1285.8 Ų85.810%0.09947%0.471CS..G310 helixtrans-65.6-29.1179.800000112.8F34 F82 T88 A92 M93F34-A90 HydrophobicContact CE2-CB 4.05Å; F34-A90 HydrophobicContact CZ-CB 3.75Å; F82-A90 HydrophobicContact CE2-CB 3.96Å; F82-A90 HydrophobicContact CZ-CB 3.72Å; T88-A90 PolarHBondContact O-N 2.73Å; A90-A92 PolarHBondContact O-N 3.45Å; A90-M93 HydrophobicContact CB-SD 4.44Å; A90-M93 WeakPolarHBondContact O-CB 3.16Å; A90-M93 PolarHBondContact O-N 3.47Å
91A93.2Very high92.7Very high37 Ų3782.5 Ų82.531%0.30645%0.454SS..G310 helixtrans-69.2-20.4177.800000114P84 R85 T88 K89P84-A91 HydrophobicContact CB-CB 3.87Å; R85-A91 VanDerWaalsContact O-CB 3.23Å; R85-A91 WeakPolarHBondContact O-CB 3.46Å; T88-A91 PolarHBondContact O-N 3.26Å; T88-A91 VanDerWaalsContact O-N 3.13Å; T88-A91 PolarHBondContact OG1-N 3.09Å; K89-A91 VanDerWaalsContact C-N 3.27Å; K89-A91 PolarHBondContact O-N 3.42Å
92A93.9Very high92.6Very high96 Ų9683.4 Ų83.479%0.79346%0.456SS*.G310 helixtrans-92.8-3.2175.600000113.3K89 A90K89-A92 PolarHBondContact O-N 3.26Å; A90-A92 PolarHBondContact O-N 3.45Å
93M93.3Very high92.4Very high77 Ų7784.4 Ų84.438%0.37946%0.461SS..SBendtrans-82.8153.1-179.9-66174-176.200110.9P35 T36 K89 A90 L95P35-M93 HydrophobicContact CB-CB 3.41Å; P35-M93 VanDerWaalsContact CB-CB 3.41Å; P35-M93 HydrophobicContact CB-CG 4.29Å; P35-M93 HydrophobicContact CB-SD 4.01Å; P35-M93 HydrophobicContact CG-CB 4.09Å; T36-M93 HydrophobicContact CG2-CE 4.49Å; T36-M93 HydrophobicContact CG2-SD 3.91Å; K89-M93 HydrophobicContact CB-CE 4.3Å; A90-M93 HydrophobicContact CB-SD 4.44Å; A90-M93 WeakPolarHBondContact O-CB 3.16Å; A90-M93 PolarHBondContact O-N 3.47Å; M93-L95 PolarHBondContact O-N 2.83Å
94K91.9Very high92.2Very high176 Ų17677.6 Ų77.677%0.76543%0.434SS*.PPolyproline II helixtrans-62.6125.3172.5-176.5-174.6175.9-166.10109.1
95L92Very high92.3Very high88 Ų8877 Ų7746%0.46143%0.43SS..PPolyproline II helixtrans-74.6149.6177.7-56.5-175.8000111.1P35 F82 P84 M93P35-L95 HydrophobicContact CG-CD2 4Å; F82-L95 HydrophobicContact CD1-CD2 3.92Å; F82-L95 HydrophobicContact CE1-CD2 3.6Å; P84-L95 HydrophobicContact CG-CD1 4.09Å; P84-L95 HydrophobicContact CG-CD2 4.02Å; M93-L95 PolarHBondContact O-N 2.83Å
96L90.2Very high92.4Very high19 Ų1977.1 Ų77.110%0.09944%0.435CS..PPolyproline II helixtrans-66149.3168.1-74.5175.9000111.2E37 D39 T98 V101E37-L96 HydrophobicContact CB-CD1 3.75Å; E37-L96 WeakPolarHBondContact O-CD2 3.37Å; D39-L96 HydrophobicContact CB-CD2 3.48Å; D39-L96 VanDerWaalsContact CB-CD2 3.48Å; L96-T98 PolarHBondContact O-N 3.36Å; L96-V101 HydrophobicContact CB-CG2 3.93Å
97P91.3Very high92.4Very high69 Ų6972.6 Ų72.645%0.44840%0.404SS..PPolyproline II helixtrans-57.2137.6175.7-20.130.4000110.8E99 V100 V101P97-E99 PolarHBondContact O-N 2.95Å; P97-E99 VanDerWaalsContact O-N 3.12Å; P97-V100 HydrophobicContact CB-CG2 4.02Å; P97-V100 HydrophobicContact CG-CG2 4.07Å; P97-V100 WeakPolarHBondContact O-CB 3.3Å; P97-V100 PolarHBondContact O-N 3.35Å; P97-V101 PolarHBondContact O-N 3.27Å
98T93Very high92.5Very high95 Ų9568.3 Ų68.358%0.58336%0.359SS*.Hα-helixtrans-55.9-34.9-176.1-56.40000113L96 V101 K102L96-T98 PolarHBondContact O-N 3.36Å; T98-V101 PolarHBondContact O-N 3.39Å; T98-K102 HydrophobicContact CG2-CD 4.25Å; T98-K102 HydrophobicContact CG2-CG 4.44Å; T98-K102 WeakPolarHBondContact O-CG 3.23Å; T98-K102 PolarHBondContact O-N 2.9Å
99E91Very high92.7Very high128 Ų12867.6 Ų67.660%0.59836%0.355SS*.Hα-helixtrans-65.2-40178.3-166.554.9-148.400112.1P97 V101 K102 Q103P97-E99 PolarHBondContact O-N 2.95Å; P97-E99 VanDerWaalsContact O-N 3.12Å; E99-V101 PolarHBondContact O-N 2.74Å; E99-K102 PolarHBondContact O-N 3.27Å; E99-Q103 WeakPolarHBondContact O-CB 3.27Å; E99-Q103 PolarHBondContact O-N 2.87Å
100V89.2Confident93Very high15 Ų1562.9 Ų62.99%0.09134%0.343CS..Hα-helixtrans-60.9-47.1174.8178.40000110.4V41 P97 K102 Q103 R104V41-V100 HydrophobicContact CG2-CB 4.11Å; V41-V100 HydrophobicContact CG2-CG1 3.63Å; V41-V100 HydrophobicContact CG2-CG2 3.59Å; P97-V100 HydrophobicContact CB-CG2 4.02Å; P97-V100 HydrophobicContact CG-CG2 4.07Å; P97-V100 WeakPolarHBondContact O-CB 3.3Å; P97-V100 PolarHBondContact O-N 3.35Å; V100-K102 VanDerWaalsContact C-N 3.35Å; V100-K102 PolarHBondContact O-N 3.46Å; V100-Q103 PolarHBondContact O-N 2.68Å; V100-R104 HydrophobicContact CG1-CG 4.5Å; V100-R104 WeakPolarHBondContact O-CB 3.48Å; V100-R104 VanDerWaalsContact O-CG 3.3Å; V100-R104 WeakPolarHBondContact O-CG 3.34Å; V100-R104 PolarHBondContact O-N 3.29Å
101V92.6Very high93.3Very high14 Ų1462.9 Ų62.99%0.08534%0.341CS..Hα-helixtrans-63.2-41.3179.9-1760000111.7Q81 L96 P97 T98 E99 T105Q81-V101 HydrophobicContact CB-CG1 3.83Å; Q81-V101 HydrophobicContact CG-CG1 3.66Å; L96-V101 HydrophobicContact CB-CG2 3.93Å; P97-V101 PolarHBondContact O-N 3.27Å; T98-V101 PolarHBondContact O-N 3.39Å; E99-V101 PolarHBondContact O-N 2.74Å; V101-T105 PolarHBondContact O-N 2.72Å; V101-T105 PolarHBondContact O-OG1 2.9Å
102K93.6Very high93.4Very high112 Ų11263.5 Ų63.549%0.48734%0.337SS..Hα-helixtrans-63.5-46.6175.4-76.4177.7177.5177.60111.8T98 E99 V100 R104 T105 K106T98-K102 HydrophobicContact CG2-CD 4.25Å; T98-K102 HydrophobicContact CG2-CG 4.44Å; T98-K102 WeakPolarHBondContact O-CG 3.23Å; T98-K102 PolarHBondContact O-N 2.9Å; E99-K102 PolarHBondContact O-N 3.27Å; V100-K102 VanDerWaalsContact C-N 3.35Å; V100-K102 PolarHBondContact O-N 3.46Å; K102-R104 PolarHBondContact O-N 2.78Å; K102-T105 PolarHBondContact O-N 3.08Å; K102-K106 WeakPolarHBondContact O-CB 3.38Å; K102-K106 PolarHBondContact O-N 3Å
103Q90.9Very high93.5Very high58 Ų5865.4 Ų65.427%0.27133%0.329SS..Hα-helixtrans-60.7-45.4178.3-175.5177.9-9.300111.1E99 V100 T105 K106 M107E99-Q103 WeakPolarHBondContact O-CB 3.27Å; E99-Q103 PolarHBondContact O-N 2.87Å; V100-Q103 PolarHBondContact O-N 2.68Å; Q103-T105 PolarHBondContact O-N 3.48Å; Q103-K106 WeakPolarHBondContact O-CB 3.33Å; Q103-K106 PolarHBondContact O-N 2.86Å; Q103-M107 HydrophobicContact CG-CG 4.46Å; Q103-M107 HydrophobicContact CG-SD 4.04Å; Q103-M107 VanDerWaalsContact O-CG 3.29Å; Q103-M107 WeakPolarHBondContact O-CG 3.43Å; Q103-M107 PolarHBondContact O-N 2.72Å
104R91.5Very high93.6Very high14 Ų1465.8 Ų65.85%0.05334%0.339CS..Hα-helixtrans-59.3-46.7176.1-74.5-178.6177.8169.26.6112.7C32 E37 T38 F62 V100 K102 K106 M107 L108C32-R104 HydrophobicContact CB-CB 4.16Å; E37-R104 VanDerWaalsContact CB-NH1 3.28Å; E37-R104 IonicContact OE2-CZ 3.96Å; E37-R104 IonicContact OE2-NE 2.7Å; E37-R104 IonicContact OE2-NH1 3.66Å; E37-R104 PolarHBondContact OE2-NH1 2.99Å; T38-R104 PolarHBondContact O-NH1 2.93Å; T38-R104 PolarHBondContact O-NH2 3.49Å; F62-R104 HydrophobicContact CD1-CB 4.46Å; F62-R104 HydrophobicContact CD1-CG 3.76Å; F62-R104 HydrophobicContact CD2-CB 4.02Å; F62-R104 HydrophobicContact CD2-CG 3.93Å; F62-R104 HydrophobicContact CE1-CB 4.04Å; F62-R104 HydrophobicContact CE1-CG 3.72Å; F62-R104 HydrophobicContact CE2-CB 3.57Å; F62-R104 HydrophobicContact CE2-CG 3.9Å; F62-R104 HydrophobicContact CG-CB 4.45Å; F62-R104 HydrophobicContact CG-CG 3.87Å; F62-R104 HydrophobicContact CZ-CB 3.58Å; F62-R104 HydrophobicContact CZ-CG 3.79Å; F62-R104 VanDerWaalsContact CZ-O 3.29Å; F62-R104 WeakPolarHBondContact CZ-O 3.43Å; V100-R104 HydrophobicContact CG1-CG 4.5Å; V100-R104 WeakPolarHBondContact O-CB 3.48Å; V100-R104 VanDerWaalsContact O-CG 3.3Å; V100-R104 WeakPolarHBondContact O-CG 3.34Å; V100-R104 PolarHBondContact O-N 3.29Å; K102-R104 PolarHBondContact O-N 2.78Å; R104-K106 VanDerWaalsContact C-N 3.3Å; R104-K106 PolarHBondContact O-N 2.86Å; R104-M107 PolarHBondContact O-N 3.38Å; R104-L108 WeakPolarHBondContact O-CB 3.13Å; R104-L108 PolarHBondContact O-N 3.19Å
105T96Very high93.8Very high26 Ų2658.3 Ų58.316%0.1631%0.306CS..Hα-helixtrans-57.4-45.6175.7-54.40000110.9I79 Q81 V101 K102 Q103 L108 T109I79-T105 HydrophobicContact CG2-CG2 3.9Å; Q81-T105 VanDerWaalsContact CG-OG1 3.31Å; Q81-T105 WeakPolarHBondContact CG-OG1 3.39Å; Q81-T105 PolarHBondContact NE2-OG1 3.5Å; Q81-T105 VanDerWaalsContact NE2-OG1 3.08Å; V101-T105 PolarHBondContact O-N 2.72Å; V101-T105 PolarHBondContact O-OG1 2.9Å; K102-T105 PolarHBondContact O-N 3.08Å; Q103-T105 PolarHBondContact O-N 3.48Å; T105-L108 PolarHBondContact O-N 2.93Å; T105-T109 VanDerWaalsContact O-CB 3.27Å; T105-T109 WeakPolarHBondContact O-CB 3.41Å; T105-T109 PolarHBondContact O-N 3.27Å; T105-T109 PolarHBondContact O-OG1 3.21Å
106K95.6Very high93.9Very high162 Ų16261.7 Ų61.770%0.70432%0.32SS*.Hα-helixtrans-64-44.3178.8-174.4-179.1178.3-175.80111.9K102 Q103 R104 T109 A110K102-K106 WeakPolarHBondContact O-CB 3.38Å; K102-K106 PolarHBondContact O-N 3Å; Q103-K106 WeakPolarHBondContact O-CB 3.33Å; Q103-K106 PolarHBondContact O-N 2.86Å; R104-K106 VanDerWaalsContact C-N 3.3Å; R104-K106 PolarHBondContact O-N 2.86Å; K106-T109 PolarHBondContact O-N 2.97Å; K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 2.84Å
107M94.3Very high94Very high30 Ų3062.6 Ų62.615%0.14833%0.327CS..Hα-helixtrans-60.9-48.5177.5-71.4170.171.500111.3F46 F62 M66 Q103 R104 T109 A110 L111F46-M107 HydrophobicContact CD2-CE 3.98Å; F46-M107 HydrophobicContact CD2-CG 3.89Å; F46-M107 HydrophobicContact CE2-CB 4.37Å; F46-M107 HydrophobicContact CE2-CG 3.9Å; F62-M107 HydrophobicContact CE1-CB 4.38Å; F62-M107 HydrophobicContact CE1-CE 4.14Å; F62-M107 HydrophobicContact CE1-SD 4.16Å; F62-M107 HydrophobicContact CZ-CB 4.28Å; M66-M107 HydrophobicContact CE-CB 4.12Å; Q103-M107 HydrophobicContact CG-CG 4.46Å; Q103-M107 HydrophobicContact CG-SD 4.04Å; Q103-M107 VanDerWaalsContact O-CG 3.29Å; Q103-M107 WeakPolarHBondContact O-CG 3.43Å; Q103-M107 PolarHBondContact O-N 2.72Å; R104-M107 PolarHBondContact O-N 3.38Å; M107-T109 PolarHBondContact O-N 3.26Å; M107-A110 PolarHBondContact O-N 2.95Å; M107-L111 PolarHBondContact O-N 3.03Å
108L95Very high94Very high0 Ų063.6 Ų63.60%032%0.322CS..Hα-helixtrans-66.8-38.6-179.2-17858.7000112.1V30 F62 M66 I69 I79 R104 T105 L111 F112V30-L108 HydrophobicContact CB-CD2 3.74Å; V30-L108 HydrophobicContact CG1-CD2 3.4Å; V30-L108 VanDerWaalsContact CG1-CD2 3.4Å; V30-L108 HydrophobicContact CG2-CD2 4.18Å; F62-L108 HydrophobicContact CE2-CB 4.45Å; F62-L108 HydrophobicContact CZ-CB 4.34Å; M66-L108 HydrophobicContact SD-CB 3.84Å; M66-L108 HydrophobicContact SD-CD1 3.67Å; M66-L108 HydrophobicContact SD-CG 4.33Å; I69-L108 HydrophobicContact CB-CD1 4.08Å; I69-L108 HydrophobicContact CG1-CD1 3.81Å; I69-L108 HydrophobicContact CG2-CD1 3.93Å; I79-L108 HydrophobicContact CB-CD2 4.48Å; I79-L108 HydrophobicContact CD1-CB 4.21Å; I79-L108 HydrophobicContact CD1-CD2 4.1Å; I79-L108 HydrophobicContact CD1-CG 3.69Å; I79-L108 HydrophobicContact CG1-CD2 3.82Å; I79-L108 HydrophobicContact CG1-CG 3.98Å; I79-L108 HydrophobicContact CG2-CD2 3.96Å; R104-L108 WeakPolarHBondContact O-CB 3.13Å; R104-L108 PolarHBondContact O-N 3.19Å; T105-L108 PolarHBondContact O-N 2.93Å; L108-L111 PolarHBondContact O-N 3.5Å; L108-F112 PolarHBondContact O-N 3.29Å
109T97.4Very high93.9Very high47 Ų4761.8 Ų61.829%0.28832%0.317SS..Hα-helixtrans-62.3-44173.8-58.30000110.9T105 K106 M107 F112 H113T105-T109 VanDerWaalsContact O-CB 3.27Å; T105-T109 WeakPolarHBondContact O-CB 3.41Å; T105-T109 PolarHBondContact O-N 3.27Å; T105-T109 PolarHBondContact O-OG1 3.21Å; K106-T109 PolarHBondContact O-N 2.97Å; M107-T109 PolarHBondContact O-N 3.26Å; T109-F112 PolarHBondContact O-N 3.33Å; T109-H113 PolarHBondContact O-CD2 3.16Å; T109-H113 PolarHBondContact O-N 3.39Å
110A96.8Very high93.8Very high46 Ų4659.9 Ų59.938%0.3831%0.311SS..Hα-helixtrans-63.1-41.9176.200000111.9K106 M107 H113 S114K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 2.84Å; M107-A110 PolarHBondContact O-N 2.95Å; A110-H113 PolarHBondContact O-N 3.03Å; A110-S114 WeakPolarHBondContact O-CB 3.29Å; A110-S114 PolarHBondContact O-N 2.89Å
111L95.7Very high93.9Very high12 Ų1260.8 Ų60.86%0.06331%0.313CS..Hα-helixtrans-60.9-49.2174.5174.862.4000111.2F50 M66 I69 D70 M107 L108 H113 S114 Y115F50-L111 HydrophobicContact CE2-CD1 4.41Å; M66-L111 HydrophobicContact CB-CD2 4.41Å; M66-L111 HydrophobicContact CE-CB 3.72Å; M66-L111 HydrophobicContact CE-CD2 3.64Å; M66-L111 HydrophobicContact CE-CG 4.29Å; M66-L111 WeakPolarHBondContact O-CD2 3.27Å; M66-L111 HydrophobicContact SD-CD2 4.17Å; I69-L111 HydrophobicContact CB-CD2 3.96Å; I69-L111 HydrophobicContact CG2-CD2 3.82Å; I69-L111 HydrophobicContact CG2-CG 4.22Å; D70-L111 HydrophobicContact CB-CD1 4.07Å; D70-L111 HydrophobicContact CB-CD2 4.12Å; M107-L111 PolarHBondContact O-N 3.03Å; L108-L111 PolarHBondContact O-N 3.5Å; L111-H113 VanDerWaalsContact C-N 3.3Å; L111-H113 PolarHBondContact O-N 3.48Å; L111-S114 WeakPolarHBondContact O-CB 3.46Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 PolarHBondContact O-OG 3.3Å; L111-Y115 HydrophobicContact CD1-CD1 4.43Å; L111-Y115 HydrophobicContact CG-CE1 4.34Å; L111-Y115 WeakPolarHBondContact O-CD1 3.35Å; L111-Y115 WeakPolarHBondContact O-CE1 3.38Å
112F96.4Very high93.7Very high50 Ų5066 Ų6622%0.21934%0.344CS..Hα-helixtrans-56-43.7177.9176.7-106.6000112.4F74 V77 L108 T109 S114 Y115F74-F112 WeakPolarHBondContact O-CE2 3.45Å; V77-F112 HydrophobicContact CB-CD2 3.92Å; V77-F112 HydrophobicContact CB-CE2 4.22Å; V77-F112 HydrophobicContact CG2-CD2 3.63Å; V77-F112 HydrophobicContact CG2-CE2 3.94Å; L108-F112 PolarHBondContact O-N 3.29Å; T109-F112 PolarHBondContact O-N 3.33Å; F112-S114 VanDerWaalsContact C-N 3.26Å; F112-S114 PolarHBondContact O-N 3.21Å; F112-Y115 HydrophobicContact CD2-CE2 4.21Å; F112-Y115 AromaticContact CD2-CZ 3.82Å; F112-Y115 WeakPolarHBondContact CD2-OH 3.45Å; F112-Y115 HydrophobicContact CE2-CE2 4.49Å
113H96.1Very high93.6Very high136 Ų13664.6 Ų64.663%0.6336%0.362SS*.Hα-helixtrans-74-13.6177.1-69.6-50.5000114.2T109 A110 L111T109-H113 PolarHBondContact O-CD2 3.16Å; T109-H113 PolarHBondContact O-N 3.39Å; A110-H113 PolarHBondContact O-N 3.03Å; L111-H113 VanDerWaalsContact C-N 3.3Å; L111-H113 PolarHBondContact O-N 3.48Å
114S95.8Very high93.7Very high84 Ų8467.5 Ų67.559%0.58737%0.37SS*.Hα-helixtrans-79.6-22.9-177.276.50000113.8A110 L111 F112A110-S114 WeakPolarHBondContact O-CB 3.29Å; A110-S114 PolarHBondContact O-N 2.89Å; L111-S114 WeakPolarHBondContact O-CB 3.46Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 PolarHBondContact O-OG 3.3Å; F112-S114 VanDerWaalsContact C-N 3.26Å; F112-S114 PolarHBondContact O-N 3.21Å
115Y95.5Very high93.7Very high19 Ų1973.7 Ų73.78%0.07541%0.409CS..SBendtrans-110.2160-177.361.5-109.1000113.1I69 K73 F74 L111 F112 P117I69-Y115 HydrophobicContact CG2-CE1 3.99Å; K73-Y115 VanDerWaalsContact C-CE2 3.41Å; K73-Y115 HydrophobicContact CB-CD1 4.45Å; K73-Y115 HydrophobicContact CB-CD2 3.7Å; K73-Y115 HydrophobicContact CB-CE2 3.84Å; K73-Y115 HydrophobicContact CB-CG 4.03Å; K73-Y115 HydrophobicContact CD-CG 4.27Å; K73-Y115 HydrophobicContact CG-CD1 4.21Å; K73-Y115 HydrophobicContact CG-CD2 4.19Å; K73-Y115 HydrophobicContact CG-CG 3.99Å; F74-Y115 PolarHBondContact N-OH 2.91Å; F74-Y115 WeakPolarHBondContact O-CE2 3.49Å; F74-Y115 PolarHBondContact O-OH 3.3Å; F74-Y115 VanDerWaalsContact O-OH 3.11Å; L111-Y115 HydrophobicContact CD1-CD1 4.43Å; L111-Y115 HydrophobicContact CG-CE1 4.34Å; L111-Y115 WeakPolarHBondContact O-CD1 3.35Å; L111-Y115 WeakPolarHBondContact O-CE1 3.38Å; F112-Y115 HydrophobicContact CD2-CE2 4.21Å; F112-Y115 AromaticContact CD2-CZ 3.82Å; F112-Y115 WeakPolarHBondContact CD2-OH 3.45Å; F112-Y115 HydrophobicContact CE2-CE2 4.49Å; Y115-P117 HydrophobicContact CD2-CB 4.35Å; Y115-P117 HydrophobicContact CD2-CG 4.47Å; Y115-P117 HydrophobicContact CE2-CB 4.27Å; Y115-P117 HydrophobicContact CE2-CG 4.42Å; Y115-P117 WeakPolarHBondContact O-CD 3.43Å
116Q93.5Very high93.6Very high159 Ų15975.3 Ų75.374%0.74341%0.413SS*.  trans-11392.3-179.2-65.7-178.8-2.900109.7Y118 A119Q116-Y118 PolarHBondContact O-N 2.89Å; Q116-A119 HydrophobicContact CB-CB 4.31Å; Q116-A119 PolarHBondContact O-N 3.48Å
117P92Very high93.5Very high39 Ų3977.3 Ų77.325%0.25342%0.421SS..THydrogen-bonded Turntrans-68.3-21.9-171.927.7-34.1000113K73 P75 Y115K73-P117 WeakPolarHBondContact O-CB 3.32Å; P75-P117 HydrophobicContact CB-CB 4.08Å; P75-P117 HydrophobicContact CB-CG 4.34Å; Y115-P117 HydrophobicContact CD2-CB 4.35Å; Y115-P117 HydrophobicContact CD2-CG 4.47Å; Y115-P117 HydrophobicContact CE2-CB 4.27Å; Y115-P117 HydrophobicContact CE2-CG 4.42Å; Y115-P117 WeakPolarHBondContact O-CD 3.43Å
118Y92.3Very high93.5Very high90 Ų9078.2 Ų78.235%0.35343%0.428SS..THydrogen-bonded Turntrans-10313.6-176.6-53.6-64.1000114P75 Q116 N120 R121 E148P75-Y118 HydrophobicContact CB-CE1 3.58Å; P75-Y118 HydrophobicContact CB-CE2 4.32Å; P75-Y118 VanDerWaalsContact CB-CZ 3.45Å; P75-Y118 VanDerWaalsContact CB-OH 3.22Å; P75-Y118 WeakPolarHBondContact CB-OH 3.33Å; Q116-Y118 PolarHBondContact O-N 2.89Å; Y118-N120 PolarHBondContact O-N 2.7Å; Y118-R121 HydrophobicContact CD1-CG 4.07Å; Y118-R121 HydrophobicContact CG-CG 4.47Å; Y118-R121 WeakPolarHBondContact O-CA 3.32Å; Y118-R121 VanDerWaalsContact O-CB 3.24Å; Y118-R121 WeakPolarHBondContact O-CB 3.39Å; Y118-R121 PolarHBondContact O-N 3.33Å; Y118-E148 HydrophobicContact CE1-CB 4.48Å; Y118-E148 HydrophobicContact CE1-CG 4.03Å
119A90.8Very high93.6Very high57 Ų5784.4 Ų84.447%0.47146%0.461SS..G310 helixtrans-57.2-34.5-178.600000112.5Q116 R121Q116-A119 HydrophobicContact CB-CB 4.31Å; Q116-A119 PolarHBondContact O-N 3.48Å; A119-R121 PolarHBondContact O-N 3Å
120N89.2Confident93.5Very high87 Ų8785.6 Ų85.647%0.46547%0.468SS..G310 helixtrans-76.9-3176.469.8-19.4000114.4Y118 R124Y118-N120 PolarHBondContact O-N 2.7Å; N120-R124 PolarHBondContact O-NE 2.96Å; N120-R124 VanDerWaalsContact O-NE 3.1Å
121R90.1Very high93.3Very high35 Ų3586.4 Ų86.413%0.13248%0.475CS..G310 helixtrans-93.3-20.3177.4-53-67-176.2-123.76.9112.4D23 Y118 A119 G123 R124 Y126 E148D23-R121 PolarHBondContact O-NH2 3.45Å; D23-R121 IonicContact OD1-CZ 3.19Å; D23-R121 IonicContact OD1-NH1 3.52Å; D23-R121 PolarHBondContact OD1-NH1 3.12Å; D23-R121 IonicContact OD1-NH2 3.3Å; Y118-R121 HydrophobicContact CD1-CG 4.07Å; Y118-R121 HydrophobicContact CG-CG 4.47Å; Y118-R121 WeakPolarHBondContact O-CA 3.32Å; Y118-R121 VanDerWaalsContact O-CB 3.24Å; Y118-R121 WeakPolarHBondContact O-CB 3.39Å; Y118-R121 PolarHBondContact O-N 3.33Å; A119-R121 PolarHBondContact O-N 3Å; R121-G123 PolarHBondContact O-N 3.22Å; R121-R124 WeakPolarHBondContact O-CB 3.49Å; R121-R124 PolarHBondContact O-N 3.44Å; R121-R124 VanDerWaalsContact O-N 3.13Å; R121-Y126 WeakPolarHBondContact CD-OH 3.41Å; R121-E148 IonicContact CZ-OE1 3.98Å; R121-E148 IonicContact NE-OE1 3.85Å; R121-E148 PolarHBondContact NE-OE1 3.14Å; R121-E148 IonicContact NE-OE2 2.86Å; R121-E148 PolarHBondContact NE-OE2 3.15Å; R121-E148 IonicContact NH2-OE1 2.86Å; R121-E148 PolarHBondContact NH2-OE1 3.12Å; R121-E148 VanDerWaalsContact NH2-OE1 3.1Å
122V89.9Confident93.2Very high124 Ų12491.6 Ų91.675%0.75250%0.499SS*.THydrogen-bonded Turntrans-59.2130.6-177.3179.80000110.4R124V122-R124 VanDerWaalsContact C-N 3.26Å; V122-R124 PolarHBondContact O-N 3.34Å
123G91.2Very high93.1Very high82 Ų8297.6 Ų97.685%0.84553%0.525SS*.THydrogen-bonded Turntrans80.3-4.5179.900000115.3R121R121-G123 PolarHBondContact O-N 3.22Å
124R92.4Very high92.8Very high118 Ų11892.4 Ų92.445%0.44551%0.505SS..  trans-79.4148.5174-66-174.2176.9-165.96.5111.2D23 N120 R121 V122 Y126D23-R124 IonicContact OD1-CZ 3.36Å; D23-R124 IonicContact OD1-NH1 2.72Å; D23-R124 PolarHBondContact OD1-NH1 3.32Å; D23-R124 IonicContact OD2-NH1 3.9Å; D23-R124 PolarHBondContact OD2-NH1 2.98Å; N120-R124 PolarHBondContact O-NE 2.96Å; N120-R124 VanDerWaalsContact O-NE 3.1Å; R121-R124 WeakPolarHBondContact O-CB 3.49Å; R121-R124 PolarHBondContact O-N 3.44Å; R121-R124 VanDerWaalsContact O-N 3.13Å; V122-R124 VanDerWaalsContact C-N 3.26Å; V122-R124 PolarHBondContact O-N 3.34Å; R124-Y126 HydrophobicContact CB-CD2 4.32Å; R124-Y126 HydrophobicContact CB-CE2 3.5Å; R124-Y126 VanDerWaalsContact CB-CE2 3.5Å; R124-Y126 WeakPolarHBondContact CD-OH 3.36Å
125V92.6Very high92.3Very high145 Ų14597.8 Ų97.888%0.87952%0.519SS*.  trans-103.8128.5176.3-1800000109.1
126Y92.5Very high91.7Very high60 Ų60106.7 Ų106.724%0.23555%0.552CS.*  trans-120.2140.7-178.8-65.7-83.6000110.9R121 R124 V128 N144R121-Y126 WeakPolarHBondContact CD-OH 3.41Å; R124-Y126 HydrophobicContact CB-CD2 4.32Å; R124-Y126 HydrophobicContact CB-CE2 3.5Å; R124-Y126 VanDerWaalsContact CB-CE2 3.5Å; R124-Y126 WeakPolarHBondContact CD-OH 3.36Å; Y126-V128 PolarHBondContact O-N 2.97Å; Y126-N144 HydrophobicContact CD1-CB 4.07Å; Y126-N144 HydrophobicContact CG-CB 4.18Å
127K94.2Very high90.9Very high203 Ų203102.1 Ų102.188%0.88355%0.547SS*.  trans-72.3122.9156.8-173.8175.8-178.4177.80107.4
128V95Very high90.6Very high49 Ų49107.7 Ų107.730%0.29758%0.575SS.*  trans-124153.2-176.7-61.60000111.3Y126 A142 H143 N144 V150Y126-V128 PolarHBondContact O-N 2.97Å; V128-A142 HydrophobicContact CB-CB 3.76Å; V128-A142 HydrophobicContact CG2-CB 3.63Å; V128-H143 CarbonylContact C-O 3.57Å; V128-H143 VanDerWaalsContact CA-O 3.24Å; V128-H143 WeakPolarHBondContact CA-O 3.49Å; V128-H143 WeakPolarHBondContact CB-O 3.48Å; V128-N144 HydrophobicContact CG1-CB 4.21Å; V128-V150 HydrophobicContact CG1-CB 4.31Å; V128-V150 HydrophobicContact CG1-CG2 4.2Å
129L96.3Very high90.5Very high130 Ų130108.9 Ų108.968%0.68158%0.582SS**EExtended strand (participates in β ladder)trans-98.1118.1166.5176.965.6000108.3A131 A142 H143L129-A131 PolarHBondContact O-N 2.93Å; L129-A142 CarbonylContact O-C 3.46Å; L129-A142 WeakPolarHBondContact O-CA 3.36Å; L129-A142 WeakPolarHBondContact O-CB 3.3Å; L129-H143 PolarHBondContact N-O 3.48Å; L129-H143 PolarHBondContact O-N 3.34Å
130V95.4Very high90.6Very high72 Ų72108.6 Ų108.644%0.43657%0.572SS.*EExtended strand (participates in β ladder)trans-72123.1172.2176.60000108.7L140 A142V130-L140 HydrophobicContact CG1-CB 4.09Å; V130-L140 HydrophobicContact CG1-CD1 3.98Å; V130-L140 HydrophobicContact CG1-CG 4.43Å; V130-L140 HydrophobicContact CG2-CD1 4.29Å; V130-A142 HydrophobicContact CG2-CB 4.22Å
131A93.5Very high90.8Very high64 Ų64105 Ų10553%0.52955%0.554SS.*EExtended strand (participates in β ladder)trans-100.5-44.5-178.500000111.8L129 V141L129-A131 PolarHBondContact O-N 2.93Å; A131-V141 PolarHBondContact N-O 3.13Å
132E93.4Very high91Very high121 Ų121103.4 Ų103.457%0.56555%0.548SS*.EExtended strand (participates in β ladder)trans-156.7169.6-173.759.8-176.6-176.700112.4V141E132-V141 HydrophobicContact CG-CB 3.7Å; E132-V141 HydrophobicContact CG-CG1 4.36Å; E132-V141 HydrophobicContact CG-CG2 4.02Å; E132-V141 PolarHBondContact N-O 2.89Å; E132-V141 PolarHBondContact O-N 3.32Å
133K92.9Very high91.2Very high176 Ų17699.1 Ų99.177%0.76552%0.52SS*.EExtended strand (participates in β ladder)trans-77.4138.8166-66.5-173.9177.8-1740108.8L140K133-L140 HydrophobicContact CB-CD2 4.49Å; K133-L140 HydrophobicContact CG-CD2 3.93Å
134A90.2Very high91.4Very high27 Ų2795.7 Ų95.722%0.22348%0.482CS..  trans-64.6147.6174.500000110.5R136 F139 V141A134-R136 PolarHBondContact O-N 3.31Å; A134-F139 HydrophobicContact CB-CB 3.8Å; A134-F139 WeakPolarHBondContact CB-O 3.38Å; A134-F139 PolarHBondContact N-O 2.88Å; A134-V141 HydrophobicContact CB-CG2 3.99Å
135F85.9Confident91.4Very high197 Ų197100.2 Ų100.286%0.86451%0.505SS*.SBendtrans-62.9-23.3177.9-176.4-103.8000113.1
136R81.8Confident91.4Very high206 Ų20694.8 Ų94.878%0.77748%0.475SS*.SBendtrans-124.1122.8-178.4-63.1-171.7179-175.40.2111.1A134A134-R136 PolarHBondContact O-N 3.31Å
137G78.3Confident91.4Very high62 Ų62100.6 Ų100.664%0.63950%0.498SS*.THydrogen-bonded Turntrans73.8-162.417200000113.9F139G137-F139 PolarHBondContact O-N 3.27Å
138D85.2Confident91.4Very high156 Ų15691.4 Ų91.483%0.83446%0.458SS*.THydrogen-bonded Turntrans-89.221.1-174.2-62.7-43.6000113.5
139F89.2Confident91.2Very high115 Ų11595.8 Ų95.850%0.50448%0.475SS..  trans-86.3154.1-179.8-62.4-81.3000112A134 G137 Y152A134-F139 HydrophobicContact CB-CB 3.8Å; A134-F139 WeakPolarHBondContact CB-O 3.38Å; A134-F139 PolarHBondContact N-O 2.88Å; G137-F139 PolarHBondContact O-N 3.27Å; F139-Y152 CarbonylContact C-O 3.55Å; F139-Y152 WeakPolarHBondContact CA-O 3.46Å
140L92.7Very high91Very high51 Ų5191.7 Ų91.727%0.26746%0.455SS..EExtended strand (participates in β ladder)trans-107.3145168.8-58178.9000109.4V130 K133 Y152V130-L140 HydrophobicContact CG1-CB 4.09Å; V130-L140 HydrophobicContact CG1-CD1 3.98Å; V130-L140 HydrophobicContact CG1-CG 4.43Å; V130-L140 HydrophobicContact CG2-CD1 4.29Å; K133-L140 HydrophobicContact CB-CD2 4.49Å; K133-L140 HydrophobicContact CG-CD2 3.93Å; L140-Y152 HydrophobicContact CD1-CD1 4.11Å; L140-Y152 PolarHBondContact N-O 2.68Å; L140-Y152 PolarHBondContact O-N 3.27Å
141V94.1Very high90.6Very high13 Ų1391.2 Ų91.28%0.07947%0.465CS..EExtended strand (participates in β ladder)trans-94.5120169.9-176.80000107.5A131 E132 A134 Q149A131-V141 PolarHBondContact N-O 3.13Å; E132-V141 HydrophobicContact CG-CB 3.7Å; E132-V141 HydrophobicContact CG-CG1 4.36Å; E132-V141 HydrophobicContact CG-CG2 4.02Å; E132-V141 PolarHBondContact N-O 2.89Å; E132-V141 PolarHBondContact O-N 3.32Å; A134-V141 HydrophobicContact CB-CG2 3.99Å; V141-Q149 HydrophobicContact CG1-CG 3.61Å
142A94.5Very high89.8Confident0 Ų095.1 Ų95.10%047%0.467CS..EExtended strand (participates in β ladder)trans-128.1160178.700000111V128 L129 V130 Q149 V150V128-A142 HydrophobicContact CB-CB 3.76Å; V128-A142 HydrophobicContact CG2-CB 3.63Å; L129-A142 CarbonylContact O-C 3.46Å; L129-A142 WeakPolarHBondContact O-CA 3.36Å; L129-A142 WeakPolarHBondContact O-CB 3.3Å; V130-A142 HydrophobicContact CG2-CB 4.22Å; A142-Q149 CarbonylContact O-C 3.55Å; A142-Q149 WeakPolarHBondContact O-CA 3.29Å; A142-V150 PolarHBondContact N-O 2.95Å; A142-V150 PolarHBondContact O-N 3.5Å
143H94.7Very high88.9Confident35 Ų3594.2 Ų94.216%0.16249%0.49CS..EExtended strand (participates in β ladder)trans-122.1136.8176.9-66.2-91.8000111V128 L129 Y147 E148V128-H143 CarbonylContact C-O 3.57Å; V128-H143 VanDerWaalsContact CA-O 3.24Å; V128-H143 WeakPolarHBondContact CA-O 3.49Å; V128-H143 WeakPolarHBondContact CB-O 3.48Å; L129-H143 PolarHBondContact N-O 3.48Å; L129-H143 PolarHBondContact O-N 3.34Å; H143-Y147 HydrophobicContact CB-CD2 4.29Å; H143-Y147 PolarHBondContact ND1-O 2.86Å; H143-E148 WeakPolarHBondContact CA-O 3.48Å
144N93.9Very high88.7Confident10 Ų1090.2 Ų90.25%0.05348%0.477CS..  trans-81.7-178170.775.19.4000111.3Y126 V128 A146 Y147 E148 V150Y126-N144 HydrophobicContact CD1-CB 4.07Å; Y126-N144 HydrophobicContact CG-CB 4.18Å; V128-N144 HydrophobicContact CG1-CB 4.21Å; N144-A146 PolarHBondContact O-N 2.83Å; N144-A146 WeakPolarHBondContact OD1-CA 3.34Å; N144-A146 WeakPolarHBondContact OD1-CB 3.38Å; N144-A146 PolarHBondContact OD1-N 3.42Å; N144-Y147 WeakPolarHBondContact O-CA 3.29Å; N144-Y147 PolarHBondContact O-N 3.45Å; N144-Y147 PolarHBondContact OD1-N 3.19Å; N144-E148 PolarHBondContact N-O 3.23Å; N144-E148 VanDerWaalsContact N-O 3.11Å; N144-E148 PolarHBondContact ND2-OE2 3.15Å; N144-E148 WeakPolarHBondContact OD1-CB 3.36Å; N144-E148 PolarHBondContact OD1-N 3.25Å; N144-V150 HydrophobicContact CB-CG2 4.43Å
145K93.2Very high88.7Confident213 Ų21393.5 Ų93.593%0.92649%0.49SS*.THydrogen-bonded Turntrans-63-27.8-179.8-169.5179.7178.6-173.30113.6Y147K145-Y147 PolarHBondContact O-N 3.14Å
146A92.9Very high88.8Confident30 Ų3087.7 Ų87.725%0.24847%0.469CS..THydrogen-bonded Turntrans-82.67.8174.200000112.6D23 N144 E148D23-A146 VanDerWaalsContact O-CB 3.25Å; D23-A146 WeakPolarHBondContact O-CB 3.26Å; N144-A146 PolarHBondContact O-N 2.83Å; N144-A146 WeakPolarHBondContact OD1-CA 3.34Å; N144-A146 WeakPolarHBondContact OD1-CB 3.38Å; N144-A146 PolarHBondContact OD1-N 3.42Å; A146-E148 HydrophobicContact CB-CG 4.04Å; A146-E148 PolarHBondContact O-N 3.45Å
147Y92.8Very high89.2Confident182 Ų18280.8 Ų80.871%0.71445%0.451SS*.  trans61.415.6-176-150.8-107000114.3H143 N144 K145H143-Y147 HydrophobicContact CB-CD2 4.29Å; H143-Y147 PolarHBondContact ND1-O 2.86Å; N144-Y147 WeakPolarHBondContact O-CA 3.29Å; N144-Y147 PolarHBondContact O-N 3.45Å; N144-Y147 PolarHBondContact OD1-N 3.19Å; K145-Y147 PolarHBondContact O-N 3.14Å
148E93.3Very high89.9Confident11 Ų1181.9 Ų81.95%0.05144%0.439CS..  trans-68.7134.2173.1-57.8170.5155.900108.9Y118 R121 H143 N144 A146Y118-E148 HydrophobicContact CE1-CB 4.48Å; Y118-E148 HydrophobicContact CE1-CG 4.03Å; R121-E148 IonicContact CZ-OE1 3.98Å; R121-E148 IonicContact NE-OE1 3.85Å; R121-E148 PolarHBondContact NE-OE1 3.14Å; R121-E148 IonicContact NE-OE2 2.86Å; R121-E148 PolarHBondContact NE-OE2 3.15Å; R121-E148 IonicContact NH2-OE1 2.86Å; R121-E148 PolarHBondContact NH2-OE1 3.12Å; R121-E148 VanDerWaalsContact NH2-OE1 3.1Å; H143-E148 WeakPolarHBondContact CA-O 3.48Å; N144-E148 PolarHBondContact N-O 3.23Å; N144-E148 VanDerWaalsContact N-O 3.11Å; N144-E148 PolarHBondContact ND2-OE2 3.15Å; N144-E148 WeakPolarHBondContact OD1-CB 3.36Å; N144-E148 PolarHBondContact OD1-N 3.25Å; A146-E148 HydrophobicContact CB-CG 4.04Å; A146-E148 PolarHBondContact O-N 3.45Å
149Q91.9Very high90.2Very high141 Ų14177 Ų7766%0.65941%0.413SS*.EExtended strand (participates in β ladder)trans-72.6129.1176.6-170.7-176.5-60.800110.3V141 A142V141-Q149 HydrophobicContact CG1-CG 3.61Å; A142-Q149 CarbonylContact O-C 3.55Å; A142-Q149 WeakPolarHBondContact O-CA 3.29Å
150V90.6Very high90.3Very high44 Ų4474.3 Ų74.327%0.26741%0.406SS..EExtended strand (participates in β ladder)trans-122.6125.8178.1-175.50000108.3V128 A142 N144V128-V150 HydrophobicContact CG1-CB 4.31Å; V128-V150 HydrophobicContact CG1-CG2 4.2Å; A142-V150 PolarHBondContact N-O 2.95Å; A142-V150 PolarHBondContact O-N 3.5Å; N144-V150 HydrophobicContact CB-CG2 4.43Å
151G87.4Confident90.1Very high61 Ų6176.1 Ų76.163%0.62942%0.417SS*.EExtended strand (participates in β ladder)trans-79.2131.5168.500000110.2
152Y77.4Confident89.8Confident146 Ų14681.3 Ų81.357%0.57345%0.445SS*.EExtended strand (participates in β ladder)trans-127.7125.3177.4178.6-95.3000109.3F139 L140F139-Y152 CarbonylContact C-O 3.55Å; F139-Y152 WeakPolarHBondContact CA-O 3.46Å; L140-Y152 HydrophobicContact CD1-CD1 4.11Å; L140-Y152 PolarHBondContact N-O 2.68Å; L140-Y152 PolarHBondContact O-N 3.27Å
153G74.8Confident89.3Confident103 Ų10388.7 Ų88.7100%1.06249%0.486SS*.  trans-156.50178.800000111.3

Retrieved 153 of 153 residues in 147.9 ms (Link to these results)

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