A0A087YSK3_POEFO Loading...

Ribonuclease P and MRP subunit p25

AlphaFold DB , UniProt , Accession A0A087YSK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 174 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
1P36.8Very low63.5Low178 Ų178132.6 Ų132.6100%1.15665%0.648SS**  096.7017.26.1000110.2R3P1-R3 PolarHBondContact O-N 2.82Å
2E44.6Very low64.7Low192 Ų192126.9 Ų126.990%0.89763%0.632SS**  trans-59.7120.8175.6-78.9179.6128.100109.7S4E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 3.35Å
3R50.6Low65.8Low246 Ų246120.9 Ų120.993%0.92860%0.601SS**  trans-72.393.1167-74.1177.8171.1-121.70.2106.6P1 A5P1-R3 PolarHBondContact O-N 2.82Å; R3-A5 PolarHBondContact O-N 3.34Å
4S58.5Low65.9Low90 Ų90120.2 Ų120.263%0.62960%0.595SS**  trans-51112.8169.9-53.10000108.3E2 R6E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 3.35Å; S4-R6 PolarHBondContact O-N 2.96Å
5A61.2Low65.5Low91 Ų91126.5 Ų126.575%0.75261%0.609SS**  trans-69.9101.6-175.100000109.2R3R3-A5 PolarHBondContact O-N 3.34Å
6R65.7Low65.1Low161 Ų161120.9 Ų120.961%0.60859%0.59SS**PPolyproline II helixtrans-83.9128.5173.9-66.3-176.9-178.4176.3-0.3109.5S4 W105S4-R6 PolarHBondContact O-N 2.96Å; R6-W105 HydrophobicContact CB-CE3 4.07Å
7R75.9Confident65.1Low173 Ų173120.8 Ų120.865%0.65360%0.601SS**EExtended strand (participates in β ladder)trans-100.6127.8178-176.3174.9176.8-109.31.3109.5I9 E106R7-I9 HydrophobicContact CG-CG2 4.33Å; R7-I9 PolarHBondContact O-N 3.08Å; R7-E106 PolarHBondContact N-O 3.18Å; R7-E106 PolarHBondContact O-N 2.78Å
8R74.1Confident65.3Low122 Ų122118.4 Ų118.446%0.4659%0.586SS.*EExtended strand (participates in β ladder)trans-75.2118.8170.6-168.4179.363.8-165.6-7108.9E103 W105R8-E103 WeakPolarHBondContact CD-OE1 3.27Å; R8-E103 HydrophobicContact CG-CB 4.49Å; R8-E103 IonicContact CZ-OE1 3.75Å; R8-E103 IonicContact NH1-OE1 3.21Å; R8-E103 PolarHBondContact NH1-OE1 3.36Å; R8-W105 HydrophobicContact CB-CD2 4.12Å; R8-W105 HydrophobicContact CB-CE3 3.8Å; R8-W105 HydrophobicContact CB-CH2 3.8Å; R8-W105 HydrophobicContact CB-CZ2 4.09Å; R8-W105 HydrophobicContact CB-CZ3 3.65Å; R8-W105 HydrophobicContact CG-CD2 4.36Å; R8-W105 HydrophobicContact CG-CH2 4.36Å; R8-W105 HydrophobicContact CG-CZ2 4.15Å
9I78.4Confident66.1Low75 Ų75114.5 Ų114.539%0.38557%0.571SS.*EExtended strand (participates in β ladder)trans-106.2-18-176.955.6163000113R7 V104 E106 T114R7-I9 HydrophobicContact CG-CG2 4.33Å; R7-I9 PolarHBondContact O-N 3.08Å; I9-V104 HydrophobicContact CD1-CG1 3.81Å; I9-V104 HydrophobicContact CG1-CB 4.1Å; I9-V104 HydrophobicContact CG1-CG1 3.81Å; I9-V104 WeakPolarHBondContact CG1-O 3.41Å; I9-V104 PolarHBondContact N-O 3.01Å; I9-E106 HydrophobicContact CD1-CB 4.09Å; I9-E106 HydrophobicContact CG1-CB 4.35Å; I9-E106 HydrophobicContact CG2-CB 3.93Å; I9-T114 HydrophobicContact CD1-CG2 4.39Å
10G74.9Confident67.1Low26 Ų26109.2 Ų109.227%0.26854%0.544SS..EExtended strand (participates in β ladder)trans-153.3152.6178.500000113.1E103 V104G10-E103 WeakPolarHBondContact O-CA 3.15Å; G10-V104 PolarHBondContact N-O 3.4Å; G10-V104 PolarHBondContact O-N 2.61Å
11R77.9Confident67.6Low105 Ų105108 Ų10840%0.39654%0.544SS..EExtended strand (participates in β ladder)trans-140.8119.1168.7-176.4177.8-178.8-157.81.2109.3N102 E103R11-N102 CarbonylContact C-O 3.56Å; R11-N102 WeakPolarHBondContact CA-O 3.27Å; R11-E103 HydrophobicContact CG-CG 4.27Å
12S77.8Confident69.8Low64 Ų64103.1 Ų103.145%0.44853%0.527SS..EExtended strand (participates in β ladder)trans-112.4150.6170.555.60000110.7V101 N102S12-V101 CarbonylContact O-C 3.59Å; S12-V101 VanDerWaalsContact O-CA 3.31Å; S12-V101 WeakPolarHBondContact O-CA 3.32Å; S12-V101 WeakPolarHBondContact O-CB 3.42Å; S12-N102 PolarHBondContact N-O 3.5Å; S12-N102 PolarHBondContact O-N 2.82Å; S12-N102 WeakPolarHBondContact OG-CB 3.41Å
13E79.5Confident71.8Confident49 Ų4996.4 Ų96.423%0.22950%0.497CS..EExtended strand (participates in β ladder)trans-108.5123178.8-66.4159-162.500106.9R31 K33 L69 V101E13-R31 IonicContact OE2-NH1 2.6Å; E13-R31 PolarHBondContact OE2-NH1 3.48Å; E13-K33 WeakPolarHBondContact OE1-CE 3.49Å; E13-K33 IonicContact OE1-NZ 2.62Å; E13-K33 PolarHBondContact OE1-NZ 3.04Å; E13-L69 HydrophobicContact CG-CD2 4.22Å; E13-V101 HydrophobicContact CG-CG1 4.03Å
14E67.4Low73.5Confident111 Ų11186.3 Ų86.352%0.51947%0.466SS..  trans-73.8137.2173.1-168.4170.3-173.200109.6A16 T100E14-A16 VanDerWaalsContact C-N 3.3Å; E14-A16 PolarHBondContact O-N 2.89Å; E14-T100 PolarHBondContact N-O 2.95Å
15R59.5Low74.8Confident215 Ų21587.6 Ų87.681%0.81148%0.482SS*.  trans-80.978.8-175.7-130.8-172.3-163.4-147.54.6108.7
16A59.2Low76Confident37 Ų3787.6 Ų87.631%0.30647%0.469SS..PPolyproline II helixtrans-64.5154.8170.100000110.3E14 F18 M99E14-A16 VanDerWaalsContact C-N 3.3Å; E14-A16 PolarHBondContact O-N 2.89Å; A16-F18 PolarHBondContact O-N 2.89Å; A16-M99 HydrophobicContact CB-CE 3.73Å; A16-M99 HydrophobicContact CB-SD 3.51Å; A16-M99 VanDerWaalsContact CB-SD 3.51Å
17P64Low77.3Confident119 Ų11981.6 Ų81.677%0.77345%0.451SS*.PPolyproline II helixtrans-56.4133.7173.922.9-32.2000109.8
18F69.1Low78.2Confident77 Ų7774.5 Ų74.534%0.33843%0.425SS..PPolyproline II helixtrans-61.2128.8179.6-112.5-83.1000109.6A16 I20 L23 H29 V65 T67 C125A16-F18 PolarHBondContact O-N 2.89Å; F18-I20 PolarHBondContact O-N 2.9Å; F18-I20 VanDerWaalsContact O-N 3.08Å; F18-L23 HydrophobicContact CB-CD1 4.23Å; F18-L23 HydrophobicContact CD1-CD1 4.14Å; F18-L23 HydrophobicContact CG-CD1 4.13Å; F18-H29 AromaticContact CE2-CE1 3.6Å; F18-H29 AromaticContact CE2-ND1 3.89Å; F18-H29 AromaticContact CZ-CD2 3.95Å; F18-H29 AromaticContact CZ-CE1 3.33Å; F18-H29 WeakPolarHBondContact CZ-CE1 3.45Å; F18-H29 AromaticContact CZ-ND1 3.83Å; F18-H29 AromaticContact CZ-NE2 3.46Å; F18-H29 WeakPolarHBondContact CZ-NE2 3.43Å; F18-V65 HydrophobicContact CD1-CG1 4.41Å; F18-V65 HydrophobicContact CE1-CG1 3.52Å; F18-V65 HydrophobicContact CZ-CG1 4.09Å; F18-T67 HydrophobicContact CE1-CG2 3.58Å; F18-T67 HydrophobicContact CZ-CG2 3.6Å; F18-C125 HydrophobicContact CE1-CB 4.47Å
19P81.4Confident79.2Confident44 Ų4471.5 Ų71.529%0.28642%0.417SS..SBendtrans-73.7-0.6-175.631.4-37.9000113.4K95 C97 C125P19-K95 HydrophobicContact CB-CB 3.99Å; P19-K95 HydrophobicContact CB-CG 4.36Å; P19-K95 HydrophobicContact CG-CB 3.85Å; P19-K95 HydrophobicContact CG-CG 4.49Å; P19-C97 HydrophobicContact CG-CB 4.49Å; P19-C125 HydrophobicContact CG-CB 3.88Å
20I84.8Confident80.1Confident8 Ų868.5 Ų68.54%0.04140%0.401CS..SBendtrans-104111.6-178.9-55.6-178.4000107.6F18 L23 K95 C125 L127F18-I20 PolarHBondContact O-N 2.9Å; F18-I20 VanDerWaalsContact O-N 3.08Å; I20-L23 HydrophobicContact CB-CD2 4.21Å; I20-L23 HydrophobicContact CB-CG 4.47Å; I20-L23 HydrophobicContact CG2-CD2 3.82Å; I20-L23 HydrophobicContact CG2-CG 4.39Å; I20-K95 HydrophobicContact CG1-CB 4.35Å; I20-K95 HydrophobicContact CG1-CG 3.74Å; I20-C125 HydrophobicContact CD1-CB 4.03Å; I20-C125 HydrophobicContact CG1-CB 4.38Å; I20-L127 HydrophobicContact CD1-CB 3.67Å; I20-L127 HydrophobicContact CG2-CB 4.19Å; I20-L127 HydrophobicContact CG2-CD2 3.89Å
21P78.4Confident81Confident84 Ų8471.9 Ų71.955%0.54541%0.406SS..SBendtrans-71158.2177.230.3-34000111.2L23P21-L23 PolarHBondContact O-N 2.82Å
22G82.8Confident81.9Confident77 Ų7767 Ų6779%0.79439%0.388SS*.SBendtrans68.427167.700000116.1
23L87.1Confident82.7Confident51 Ų5168.8 Ų68.827%0.26739%0.387SS..  trans-62.4137.1175-66.8177.5000111.3F18 I20 P21 V27 V65 L127F18-L23 HydrophobicContact CB-CD1 4.23Å; F18-L23 HydrophobicContact CD1-CD1 4.14Å; F18-L23 HydrophobicContact CG-CD1 4.13Å; I20-L23 HydrophobicContact CB-CD2 4.21Å; I20-L23 HydrophobicContact CB-CG 4.47Å; I20-L23 HydrophobicContact CG2-CD2 3.82Å; I20-L23 HydrophobicContact CG2-CG 4.39Å; P21-L23 PolarHBondContact O-N 2.82Å; L23-V27 HydrophobicContact CB-CG1 4.28Å; L23-V65 HydrophobicContact CD1-CG2 4.39Å; L23-V65 HydrophobicContact CD2-CG2 3.65Å; L23-L127 HydrophobicContact CD2-CD1 4Å; L23-L127 HydrophobicContact CD2-CD2 4.18Å
24A86.3Confident83.2Confident33 Ų3371.7 Ų71.727%0.27340%0.401SS..  trans-62.9148.9173.200000111.4D26 V27 Q63A24-D26 WeakPolarHBondContact CB-OD1 3.31Å; A24-D26 PolarHBondContact O-N 2.85Å; A24-V27 WeakPolarHBondContact O-CB 3.49Å; A24-V27 VanDerWaalsContact O-CG1 3.26Å; A24-V27 WeakPolarHBondContact O-CG1 3.43Å; A24-V27 PolarHBondContact O-N 2.92Å; A24-V27 VanDerWaalsContact O-N 3.16Å; A24-Q63 VanDerWaalsContact CB-OE1 3.28Å
25A85.1Confident84.4Confident118 Ų11869.2 Ų69.298%0.97541%0.405SS*.THydrogen-bonded Turntrans-62.4-27.8-178.500000113.1
26D87.8Confident86.1Confident90 Ų9060.1 Ų60.148%0.48138%0.375SS..THydrogen-bonded Turntrans-99.814.1-178.970.1-38.3000113.4A24 L28A24-D26 WeakPolarHBondContact CB-OD1 3.31Å; A24-D26 PolarHBondContact O-N 2.85Å; D26-L28 PolarHBondContact O-N 2.86Å
27V92.8Very high88Confident36 Ų3665.5 Ų65.522%0.21839%0.391CS..  trans-56.9132-178.267.50000111.9L23 A24 H29 Q63 V65L23-V27 HydrophobicContact CB-CG1 4.28Å; A24-V27 WeakPolarHBondContact O-CB 3.49Å; A24-V27 VanDerWaalsContact O-CG1 3.26Å; A24-V27 WeakPolarHBondContact O-CG1 3.43Å; A24-V27 PolarHBondContact O-N 2.92Å; A24-V27 VanDerWaalsContact O-N 3.16Å; V27-H29 PolarHBondContact O-N 3.28Å; V27-Q63 HydrophobicContact CB-CB 4.33Å; V27-Q63 HydrophobicContact CG2-CB 3.78Å; V27-V65 HydrophobicContact CG2-CB 4.41Å; V27-V65 HydrophobicContact CG2-CG2 3.67Å
28L94.6Very high89.5Confident23 Ų2362.6 Ų62.612%0.1237%0.368CS..EExtended strand (participates in β ladder)trans-78114.2174.9173.759.3000110.4D26 M30 F44 R48 V61 Q63 V64 V65D26-L28 PolarHBondContact O-N 2.86Å; L28-M30 HydrophobicContact CD1-SD 4Å; L28-M30 HydrophobicContact CD2-CG 4.31Å; L28-M30 HydrophobicContact CD2-SD 4.04Å; L28-M30 HydrophobicContact CG-CG 4.09Å; L28-M30 HydrophobicContact CG-SD 3.98Å; L28-F44 HydrophobicContact CD1-CE1 3.75Å; L28-F44 HydrophobicContact CD2-CD1 4.42Å; L28-F44 HydrophobicContact CD2-CE1 4.21Å; L28-R48 HydrophobicContact CD2-CB 3.99Å; L28-R48 HydrophobicContact CD2-CG 4.38Å; L28-V61 HydrophobicContact CB-CG2 4.12Å; L28-V61 HydrophobicContact CD2-CG2 4.37Å; L28-Q63 PolarHBondContact N-O 3.44Å; L28-V64 HydrophobicContact CB-CB 4.19Å; L28-V64 HydrophobicContact CB-CG2 4.07Å; L28-V64 HydrophobicContact CD2-CG2 3.96Å; L28-V64 HydrophobicContact CG-CG2 3.92Å; L28-V64 CarbonylContact O-C 3.48Å; L28-V64 VanDerWaalsContact O-CA 3.27Å; L28-V64 WeakPolarHBondContact O-CA 3.48Å; L28-V64 WeakPolarHBondContact O-CG2 3.33Å; L28-V65 PolarHBondContact O-N 2.93Å
29H94.8Very high90.9Very high60 Ų6067.6 Ų67.628%0.27839%0.385SS..EExtended strand (participates in β ladder)trans-95.8112.1176.3-175.2-164.5000112.6F18 V27 R31 T67F18-H29 AromaticContact CE2-CE1 3.6Å; F18-H29 AromaticContact CE2-ND1 3.89Å; F18-H29 AromaticContact CZ-CD2 3.95Å; F18-H29 AromaticContact CZ-CE1 3.33Å; F18-H29 WeakPolarHBondContact CZ-CE1 3.45Å; F18-H29 AromaticContact CZ-ND1 3.83Å; F18-H29 AromaticContact CZ-NE2 3.46Å; F18-H29 WeakPolarHBondContact CZ-NE2 3.43Å; V27-H29 PolarHBondContact O-N 3.28Å; H29-R31 PolarHBondContact CE1-NE 3.24Å; H29-T67 WeakPolarHBondContact NE2-CG2 3.25Å; H29-T67 PolarHBondContact NE2-OG1 2.82Å
30M96.6Very high91.6Very high11 Ų1169.4 Ų69.45%0.05439%0.392CS..EExtended strand (participates in β ladder)trans-101.6105.5177.7-61.3-60.8-7600111.7L28 L41 F44 A45 V64 V65 F66 T67L28-M30 HydrophobicContact CD1-SD 4Å; L28-M30 HydrophobicContact CD2-CG 4.31Å; L28-M30 HydrophobicContact CD2-SD 4.04Å; L28-M30 HydrophobicContact CG-CG 4.09Å; L28-M30 HydrophobicContact CG-SD 3.98Å; M30-L41 HydrophobicContact CE-CB 3.94Å; M30-L41 HydrophobicContact CE-CD2 3.6Å; M30-L41 HydrophobicContact CE-CG 4.38Å; M30-L41 WeakPolarHBondContact CE-O 3.4Å; M30-F44 HydrophobicContact CE-CD1 3.92Å; M30-F44 HydrophobicContact SD-CD1 3.84Å; M30-F44 HydrophobicContact SD-CE1 4.16Å; M30-A45 HydrophobicContact CE-CB 4.24Å; M30-V64 HydrophobicContact CG-CG2 3.64Å; M30-V65 PolarHBondContact N-O 3.05Å; M30-F66 HydrophobicContact CB-CD1 3.49Å; M30-F66 VanDerWaalsContact CB-CD1 3.49Å; M30-F66 HydrophobicContact CB-CD2 4.48Å; M30-F66 HydrophobicContact CB-CE1 3.52Å; M30-F66 HydrophobicContact CB-CG 4.01Å; M30-F66 HydrophobicContact CB-CZ 4.06Å; M30-F66 HydrophobicContact CG-CD1 4.25Å; M30-F66 HydrophobicContact CG-CE1 3.83Å; M30-F66 HydrophobicContact CG-CE2 4.36Å; M30-F66 HydrophobicContact CG-CZ 3.89Å; M30-F66 WeakPolarHBondContact O-CA 3.5Å; M30-T67 PolarHBondContact O-N 2.69Å
31R95Very high92.2Very high98 Ų9870.3 Ų70.337%0.3740%0.397SS..EExtended strand (participates in β ladder)trans-87.2119.6174.5-62.3-173.5-174.1-162.15111.5E13 H29E13-R31 IonicContact OE2-NH1 2.6Å; E13-R31 PolarHBondContact OE2-NH1 3.48Å; H29-R31 PolarHBondContact CE1-NE 3.24Å
32V96.6Very high93.1Very high2 Ų266.9 Ų66.91%0.01237%0.374CS..EExtended strand (participates in β ladder)trans-103.8112.9-178.5-173.10000109.7L41 F66 T67 K75 T76V32-L41 HydrophobicContact CB-CD1 4.49Å; V32-L41 HydrophobicContact CG1-CD1 4.2Å; V32-L41 HydrophobicContact CG2-CD1 3.95Å; V32-F66 HydrophobicContact CG2-CD1 3.86Å; V32-T67 PolarHBondContact N-O 2.94Å; V32-K75 HydrophobicContact CG1-CB 3.84Å; V32-K75 HydrophobicContact CG1-CD 3.62Å; V32-K75 HydrophobicContact CG1-CG 3.66Å; V32-T76 VanDerWaalsContact CB-OG1 3.3Å; V32-T76 WeakPolarHBondContact CB-OG1 3.27Å; V32-T76 HydrophobicContact CG2-CG2 4.23Å
33K93.5Very high93.8Very high101 Ų10170.2 Ų70.244%0.43936%0.363SS..  trans-109.2169.1178.2-59.6-170.6177-167.30110.5E13 G35 S36 K75E13-K33 WeakPolarHBondContact OE1-CE 3.49Å; E13-K33 IonicContact OE1-NZ 2.62Å; E13-K33 PolarHBondContact OE1-NZ 3.04Å; K33-G35 PolarHBondContact O-N 3.22Å; K33-S36 PolarHBondContact N-OG 3.02Å; K33-S36 VanDerWaalsContact O-CB 3.32Å; K33-S36 WeakPolarHBondContact O-CB 3.44Å; K33-S36 PolarHBondContact O-N 3.44Å; K33-S36 PolarHBondContact O-OG 3.29Å; K33-K75 PolarHBondContact O-NZ 2.9Å
34E90.1Very high94.2Very high110 Ų11072.8 Ų72.851%0.51437%0.372SS..THydrogen-bonded Turntrans-55.5-39.3174.5-179.8179.4-176.200112.5S36 R71 K75E34-S36 VanDerWaalsContact C-N 3.31Å; E34-S36 PolarHBondContact O-N 2.6Å; E34-R71 IonicContact OE1-CZ 2.68Å; E34-R71 IonicContact OE1-NH1 3.3Å; E34-R71 PolarHBondContact OE1-NH1 3.36Å; E34-R71 IonicContact OE1-NH2 3.38Å; E34-R71 PolarHBondContact OE1-NH2 2.88Å; E34-R71 IonicContact OE2-CZ 3Å; E34-R71 IonicContact OE2-NH1 3.26Å; E34-R71 PolarHBondContact OE2-NH1 2.82Å; E34-K75 VanDerWaalsContact C-NZ 3.35Å; E34-K75 PolarHBondContact O-NZ 2.88Å
35G92.6Very high94.6Very high59 Ų5971.2 Ų71.261%0.60836%0.359SS*.THydrogen-bonded Turntrans-76.6-12.7177.500000114.9K33 K37K33-G35 PolarHBondContact O-N 3.22Å; G35-K37 PolarHBondContact O-N 3.13Å
36S96.4Very high95.1Very high25 Ų2566 Ų6618%0.17532%0.316CS..  trans-62.5132.9-173.9-61.10000111.9K33 E34 K75K33-S36 PolarHBondContact N-OG 3.02Å; K33-S36 VanDerWaalsContact O-CB 3.32Å; K33-S36 WeakPolarHBondContact O-CB 3.44Å; K33-S36 PolarHBondContact O-N 3.44Å; K33-S36 PolarHBondContact O-OG 3.29Å; E34-S36 VanDerWaalsContact C-N 3.31Å; E34-S36 PolarHBondContact O-N 2.6Å; S36-K75 PolarHBondContact O-NZ 2.98Å
37K97.4Very high95.4Very high149 Ų14963 Ų6365%0.64830%0.303SS*.  trans-88.3109.1176.4-55.1-58.7-177.5178.90109.2G35 R39 N40 L41G35-K37 PolarHBondContact O-N 3.13Å; K37-R39 VanDerWaalsContact C-N 3.28Å; K37-R39 PolarHBondContact O-N 2.99Å; K37-N40 HydrophobicContact CB-CB 4.31Å; K37-N40 PolarHBondContact O-N 2.76Å; K37-L41 PolarHBondContact O-N 2.85Å
38I97.4Very high95.4Very high58 Ų5865.1 Ų65.130%0.29731%0.307SS..Hα-helixtrans-49-48.5-175.6-67.2173.9000111.6N40 L41 L42 K75 T78 I82I38-N40 VanDerWaalsContact C-N 3.29Å; I38-N40 PolarHBondContact O-N 2.78Å; I38-L41 PolarHBondContact O-N 3.01Å; I38-L42 HydrophobicContact CG2-CD1 3.48Å; I38-L42 VanDerWaalsContact CG2-CD1 3.48Å; I38-L42 HydrophobicContact CG2-CG 4.12Å; I38-L42 WeakPolarHBondContact O-CB 3.1Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 2.99Å; I38-K75 HydrophobicContact CD1-CD 4.37Å; I38-K75 HydrophobicContact CD1-CG 3.85Å; I38-K75 HydrophobicContact CG1-CD 3.82Å; I38-K75 HydrophobicContact CG1-CG 3.62Å; I38-T78 HydrophobicContact CD1-CG2 4.34Å; I38-I82 HydrophobicContact CG2-CD1 4.2Å
39R96.9Very high95.4Very high183 Ų18364 Ų6469%0.69130%0.302SS*.Hα-helixtrans-56.2-41180-174.6176.167.8-1771.4113.1K37 R43K37-R39 VanDerWaalsContact C-N 3.28Å; K37-R39 PolarHBondContact O-N 2.99Å; R39-R43 WeakPolarHBondContact O-CB 3.29Å; R39-R43 PolarHBondContact O-N 3.26Å
40N97.4Very high95.2Very high82 Ų8265.2 Ų65.244%0.43931%0.307SS..Hα-helixtrans-71.8-44-178.6-68.6-0.9000110.9K37 I38 L42 R43 F44K37-N40 HydrophobicContact CB-CB 4.31Å; K37-N40 PolarHBondContact O-N 2.76Å; I38-N40 VanDerWaalsContact C-N 3.29Å; I38-N40 PolarHBondContact O-N 2.78Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 2.88Å; N40-R43 PolarHBondContact O-N 2.85Å; N40-R43 PolarHBondContact OD1-NH1 3.3Å; N40-F44 WeakPolarHBondContact O-CB 3.33Å; N40-F44 PolarHBondContact O-N 3.19Å; N40-F44 VanDerWaalsContact O-N 3.08Å
41L97.4Very high94.5Very high27 Ų2766.5 Ų66.514%0.14132%0.323CS..Hα-helixtrans-58.5-47.4175.9-66.8175.6000111.4M30 V32 K37 I38 F44 A45M30-L41 HydrophobicContact CE-CB 3.94Å; M30-L41 HydrophobicContact CE-CD2 3.6Å; M30-L41 HydrophobicContact CE-CG 4.38Å; M30-L41 WeakPolarHBondContact CE-O 3.4Å; V32-L41 HydrophobicContact CB-CD1 4.49Å; V32-L41 HydrophobicContact CG1-CD1 4.2Å; V32-L41 HydrophobicContact CG2-CD1 3.95Å; K37-L41 PolarHBondContact O-N 2.85Å; I38-L41 PolarHBondContact O-N 3.01Å; L41-F44 PolarHBondContact O-N 2.96Å; L41-A45 WeakPolarHBondContact O-CB 3.17Å; L41-A45 PolarHBondContact O-N 3.4Å
42L97.6Very high93.2Very high11 Ų1167.9 Ų67.96%0.05833%0.334CS..Hα-helixtrans-66.2-44.4-178.9-71.1173.2000112.5I38 N40 F44 A45 A46 C79 I82 L83I38-L42 HydrophobicContact CG2-CD1 3.48Å; I38-L42 VanDerWaalsContact CG2-CD1 3.48Å; I38-L42 HydrophobicContact CG2-CG 4.12Å; I38-L42 WeakPolarHBondContact O-CB 3.1Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 2.99Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 2.88Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 3.29Å; L42-A45 PolarHBondContact O-N 2.8Å; L42-A46 WeakPolarHBondContact O-CB 3.3Å; L42-A46 PolarHBondContact O-N 2.99Å; L42-C79 HydrophobicContact CD2-CB 4.31Å; L42-C79 WeakPolarHBondContact CD2-O 3.1Å; L42-I82 HydrophobicContact CD1-CB 3.81Å; L42-I82 HydrophobicContact CD1-CD1 3.79Å; L42-I82 HydrophobicContact CD1-CG1 4.41Å; L42-I82 HydrophobicContact CD1-CG2 3.47Å; L42-I82 VanDerWaalsContact CD1-CG2 3.47Å; L42-I82 HydrophobicContact CD2-CB 4.01Å; L42-I82 HydrophobicContact CD2-CG2 4.11Å; L42-I82 HydrophobicContact CG-CG2 4.41Å; L42-L83 HydrophobicContact CD2-CB 4.12Å
43R95.6Very high91.4Very high147 Ų14770.1 Ų70.156%0.55536%0.357SS*.Hα-helixtrans-56.5-47.7176.6-175.6-169-62.3117.3-5.1110.3R39 N40 A47R39-R43 WeakPolarHBondContact O-CB 3.29Å; R39-R43 PolarHBondContact O-N 3.26Å; N40-R43 PolarHBondContact O-N 2.85Å; N40-R43 PolarHBondContact OD1-NH1 3.3Å; R43-A47 WeakPolarHBondContact O-CB 3.25Å; R43-A47 PolarHBondContact O-N 2.87Å
44F95.6Very high89.4Confident106 Ų10674.7 Ų74.747%0.46538%0.38SS..Hα-helixtrans-66.3-48.7-178.9-177.2-102.3000112.4L28 M30 N40 L41 L42 A46 A47 R48L28-F44 HydrophobicContact CD1-CE1 3.75Å; L28-F44 HydrophobicContact CD2-CD1 4.42Å; L28-F44 HydrophobicContact CD2-CE1 4.21Å; M30-F44 HydrophobicContact CE-CD1 3.92Å; M30-F44 HydrophobicContact SD-CD1 3.84Å; M30-F44 HydrophobicContact SD-CE1 4.16Å; N40-F44 WeakPolarHBondContact O-CB 3.33Å; N40-F44 PolarHBondContact O-N 3.19Å; N40-F44 VanDerWaalsContact O-N 3.08Å; L41-F44 PolarHBondContact O-N 2.96Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 3.29Å; F44-A46 PolarHBondContact O-N 3.29Å; F44-A47 PolarHBondContact O-N 2.88Å; F44-R48 HydrophobicContact CD1-CG 4.48Å; F44-R48 HydrophobicContact CD2-CG 4.44Å; F44-R48 HydrophobicContact CE1-CG 4.19Å; F44-R48 HydrophobicContact CE2-CG 4.12Å; F44-R48 HydrophobicContact CZ-CG 4Å; F44-R48 WeakPolarHBondContact O-CB 3.46Å; F44-R48 VanDerWaalsContact O-CG 3.28Å; F44-R48 WeakPolarHBondContact O-CG 3.21Å; F44-R48 PolarHBondContact O-N 2.99Å
45A96.3Very high87.6Confident0 Ų076.2 Ų76.20%039%0.392CS..Hα-helixtrans-63-43.4179.800000112.1M30 L41 L42 R48 M49 F66 L83M30-A45 HydrophobicContact CE-CB 4.24Å; L41-A45 WeakPolarHBondContact O-CB 3.17Å; L41-A45 PolarHBondContact O-N 3.4Å; L42-A45 PolarHBondContact O-N 2.8Å; A45-R48 PolarHBondContact O-N 2.86Å; A45-M49 VanDerWaalsContact O-CB 3.29Å; A45-M49 WeakPolarHBondContact O-CB 3.33Å; A45-M49 WeakPolarHBondContact O-CG 3.27Å; A45-M49 PolarHBondContact O-N 2.87Å; A45-F66 HydrophobicContact CB-CZ 3.89Å; A45-L83 HydrophobicContact CB-CD1 4.25Å; A45-L83 HydrophobicContact CB-CD2 4Å
46A95.3Very high85.7Confident8 Ų877.5 Ų77.57%0.06641%0.405CS..Hα-helixtrans-62.3-51178.200000111.2L42 F44 R48 M49 Q50 L83 K86L42-A46 WeakPolarHBondContact O-CB 3.3Å; L42-A46 PolarHBondContact O-N 2.99Å; F44-A46 PolarHBondContact O-N 3.29Å; A46-R48 VanDerWaalsContact C-N 3.33Å; A46-R48 PolarHBondContact O-N 2.81Å; A46-M49 PolarHBondContact O-N 3Å; A46-Q50 WeakPolarHBondContact O-CB 3.41Å; A46-Q50 VanDerWaalsContact O-CG 3.31Å; A46-Q50 WeakPolarHBondContact O-CG 3.44Å; A46-Q50 PolarHBondContact O-N 2.89Å; A46-Q50 PolarHBondContact O-OE1 3.22Å; A46-L83 HydrophobicContact CB-CD1 3.98Å; A46-K86 HydrophobicContact CB-CD 4.33Å
47A93.4Very high83.6Confident26 Ų2681.6 Ų81.622%0.21543%0.434CS..Hα-helixtrans-56.8-45.9178.600000112.2R43 F44 Q50 G51 E52R43-A47 WeakPolarHBondContact O-CB 3.25Å; R43-A47 PolarHBondContact O-N 2.87Å; F44-A47 PolarHBondContact O-N 2.88Å; A47-Q50 PolarHBondContact O-N 2.81Å; A47-G51 PolarHBondContact O-N 3.03Å; A47-E52 HydrophobicContact CB-CB 4.43Å; A47-E52 PolarHBondContact O-N 2.87Å
48R93.4Very high81.9Confident82 Ų8277.5 Ų77.531%0.30943%0.428SS..Hα-helixtrans-66.8-39.4179.2-66.5-70.3-79.5112.5-2.7112.5L28 F44 A45 A46 A59 A60 V61L28-R48 HydrophobicContact CD2-CB 3.99Å; L28-R48 HydrophobicContact CD2-CG 4.38Å; F44-R48 HydrophobicContact CD1-CG 4.48Å; F44-R48 HydrophobicContact CD2-CG 4.44Å; F44-R48 HydrophobicContact CE1-CG 4.19Å; F44-R48 HydrophobicContact CE2-CG 4.12Å; F44-R48 HydrophobicContact CZ-CG 4Å; F44-R48 WeakPolarHBondContact O-CB 3.46Å; F44-R48 VanDerWaalsContact O-CG 3.28Å; F44-R48 WeakPolarHBondContact O-CG 3.21Å; F44-R48 PolarHBondContact O-N 2.99Å; A45-R48 PolarHBondContact O-N 2.86Å; A46-R48 VanDerWaalsContact C-N 3.33Å; A46-R48 PolarHBondContact O-N 2.81Å; R48-A59 PolarHBondContact NH1-O 3.16Å; R48-A60 WeakPolarHBondContact O-CA 3.44Å; R48-V61 HydrophobicContact CB-CG2 3.9Å; R48-V61 WeakPolarHBondContact O-CG2 3.49Å; R48-V61 PolarHBondContact O-N 3.4Å
49M93.2Very high80.7Confident0 Ų078.9 Ų78.90%045%0.448CS..Hα-helixtrans-72.7-34.4177.2-71.6-74.8-63.100111.8A45 A46 V61 V64 V87 L90 K130A45-M49 VanDerWaalsContact O-CB 3.29Å; A45-M49 WeakPolarHBondContact O-CB 3.33Å; A45-M49 WeakPolarHBondContact O-CG 3.27Å; A45-M49 PolarHBondContact O-N 2.87Å; A46-M49 PolarHBondContact O-N 3Å; M49-V61 HydrophobicContact CG-CG2 4.11Å; M49-V61 HydrophobicContact SD-CG2 3.76Å; M49-V64 HydrophobicContact CE-CG1 4.33Å; M49-V64 HydrophobicContact CG-CG1 4.24Å; M49-V64 HydrophobicContact SD-CB 3.99Å; M49-V64 HydrophobicContact SD-CG1 3.83Å; M49-V87 HydrophobicContact CB-CG2 4.28Å; M49-L90 HydrophobicContact CE-CD2 3.52Å; M49-K130 HydrophobicContact CE-CD 4.4Å; M49-K130 HydrophobicContact CE-CG 3.84Å; M49-K130 WeakPolarHBondContact O-CE 3.46Å; M49-K130 PolarHBondContact O-NZ 3.25Å
50Q91.4Very high80.2Confident84 Ų8471.8 Ų71.839%0.39343%0.429SS..Hα-helixtrans-82.8-14.2-179.4-68.2172.3-8700112.9A46 A47 E52 V87A46-Q50 WeakPolarHBondContact O-CB 3.41Å; A46-Q50 VanDerWaalsContact O-CG 3.31Å; A46-Q50 WeakPolarHBondContact O-CG 3.44Å; A46-Q50 PolarHBondContact O-N 2.89Å; A46-Q50 PolarHBondContact O-OE1 3.22Å; A47-Q50 PolarHBondContact O-N 2.81Å; Q50-E52 VanDerWaalsContact C-N 3.3Å; Q50-E52 HydrophobicContact CB-CG 3.97Å; Q50-V87 HydrophobicContact CG-CG2 3.96Å
51G82.9Confident80Confident38 Ų3868.1 Ų68.139%0.39241%0.409SS..THydrogen-bonded Turntrans78.417.6-174.800000113A47 G53A47-G51 PolarHBondContact O-N 3.03Å; G51-G53 VanDerWaalsContact C-N 3.26Å; G51-G53 PolarHBondContact O-N 3.05Å
52E67.7Low79.8Confident128 Ų12871.5 Ų71.560%0.59842%0.42SS*.  trans-79.577.6175.5-64.2177.1176.700108.6A47 Q50A47-E52 HydrophobicContact CB-CB 4.43Å; A47-E52 PolarHBondContact O-N 2.87Å; Q50-E52 VanDerWaalsContact C-N 3.3Å; Q50-E52 HydrophobicContact CB-CG 3.97Å
53G57.8Low79.8Confident49 Ų4972 Ų7251%0.50542%0.422SS..  trans-106.8140173.100000111.3G51 D55G51-G53 VanDerWaalsContact C-N 3.26Å; G51-G53 PolarHBondContact O-N 3.05Å; G53-D55 PolarHBondContact O-N 3.11Å; G53-D55 VanDerWaalsContact O-N 3.17Å
54Q51.7Low79.8Confident196 Ų19665 Ų6592%0.91640%0.395SS*.THydrogen-bonded Turntrans-68.2-11.7-173.3-156.8154.9-2.900114.3
55D51.8Low79.9Confident142 Ų14260 Ų6076%0.75937%0.374SS*.THydrogen-bonded Turntrans-135.620.7-171.8-54.5-46000115G53 S57G53-D55 PolarHBondContact O-N 3.11Å; G53-D55 VanDerWaalsContact O-N 3.17Å; D55-S57 PolarHBondContact O-N 3.22Å
56G52.8Low80Confident86 Ų8660 Ų6089%0.88737%0.374SS*.SBendtrans62.82.9170.400000117.9
57S53.1Low80Confident112 Ų11260.2 Ų60.278%0.78337%0.374SS*.  trans-106.2-25.1-167.7179.50000114.9D55D55-S57 PolarHBondContact O-N 3.22Å
58A60.7Low80.1Confident63 Ų6359 Ų5952%0.52136%0.364SS..SBendtrans-93.9111.3-178.900000111.7A60A58-A60 PolarHBondContact O-N 2.79Å
59A73.2Confident80.2Confident86 Ų8656.1 Ų56.171%0.71136%0.355SS*.PPolyproline II helixtrans-53139.3172.300000111.4R48 V61R48-A59 PolarHBondContact NH1-O 3.16Å; A59-V61 PolarHBondContact O-N 3.34Å
60A85.4Confident80.2Confident35 Ų3557.3 Ų57.329%0.28937%0.367SS..PPolyproline II helixtrans-60.2126.317600000109.6R48 A58R48-A60 WeakPolarHBondContact O-CA 3.44Å; A58-A60 PolarHBondContact O-N 2.79Å
61V93.2Very high80.3Confident4 Ų462.1 Ų62.12%0.02438%0.382CS..PPolyproline II helixtrans-67.2139.8176.3-67.60000109.6L28 R48 M49 A59L28-V61 HydrophobicContact CB-CG2 4.12Å; L28-V61 HydrophobicContact CD2-CG2 4.37Å; R48-V61 HydrophobicContact CB-CG2 3.9Å; R48-V61 WeakPolarHBondContact O-CG2 3.49Å; R48-V61 PolarHBondContact O-N 3.4Å; M49-V61 HydrophobicContact CG-CG2 4.11Å; M49-V61 HydrophobicContact SD-CG2 3.76Å; A59-V61 PolarHBondContact O-N 3.34Å
62R94.8Very high80.9Confident99 Ų9960.4 Ų60.437%0.37436%0.364SS..SBendtrans-88.1-23.6179.1-61.4-62.1-59.5173.60.1112.8K130 D131R62-K130 VanDerWaalsContact NH1-CD 3.28Å; R62-K130 PolarHBondContact NH2-O 3.18Å; R62-K130 PolarHBondContact O-N 3.38Å; R62-D131 WeakPolarHBondContact CB-OD2 3.47Å; R62-D131 IonicContact CZ-OD1 3.37Å; R62-D131 IonicContact NE-OD1 2.74Å; R62-D131 PolarHBondContact NE-OD1 3.28Å; R62-D131 IonicContact NE-OD2 3.08Å; R62-D131 PolarHBondContact NE-OD2 3Å; R62-D131 IonicContact NH2-OD1 3.29Å; R62-D131 PolarHBondContact NH2-OD1 3.21Å
63Q95.9Very high82.3Confident21 Ų2156.1 Ų56.110%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-132.9142-174.6-66.7-173.5-10.600111.4A24 V27 L28 L127 L128 S129A24-Q63 VanDerWaalsContact CB-OE1 3.28Å; V27-Q63 HydrophobicContact CB-CB 4.33Å; V27-Q63 HydrophobicContact CG2-CB 3.78Å; L28-Q63 PolarHBondContact N-O 3.44Å; Q63-L127 HydrophobicContact CB-CD1 4.01Å; Q63-L127 HydrophobicContact CG-CD1 4.29Å; Q63-L128 WeakPolarHBondContact CA-O 3.31Å; Q63-S129 WeakPolarHBondContact CG-OG 3.49Å
64V97.1Very high84.3Confident0 Ų058.9 Ų58.90%035%0.352CS..EExtended strand (participates in β ladder)trans-136136.5170.860.60000109.7L28 M30 M49 F66 L83 L128L28-V64 HydrophobicContact CB-CB 4.19Å; L28-V64 HydrophobicContact CB-CG2 4.07Å; L28-V64 HydrophobicContact CD2-CG2 3.96Å; L28-V64 HydrophobicContact CG-CG2 3.92Å; L28-V64 CarbonylContact O-C 3.48Å; L28-V64 VanDerWaalsContact O-CA 3.27Å; L28-V64 WeakPolarHBondContact O-CA 3.48Å; L28-V64 WeakPolarHBondContact O-CG2 3.33Å; M30-V64 HydrophobicContact CG-CG2 3.64Å; M49-V64 HydrophobicContact CE-CG1 4.33Å; M49-V64 HydrophobicContact CG-CG1 4.24Å; M49-V64 HydrophobicContact SD-CB 3.99Å; M49-V64 HydrophobicContact SD-CG1 3.83Å; V64-F66 HydrophobicContact CB-CE2 4.4Å; V64-F66 HydrophobicContact CG1-CD2 4.45Å; V64-F66 HydrophobicContact CG1-CE2 3.91Å; V64-F66 HydrophobicContact CG2-CD2 4.01Å; V64-F66 HydrophobicContact CG2-CE2 3.52Å; V64-F66 HydrophobicContact CG2-CZ 4.14Å; V64-L83 HydrophobicContact CG1-CD2 3.97Å; V64-L128 HydrophobicContact CG1-CB 3.82Å; V64-L128 HydrophobicContact CG1-CD1 4.26Å; V64-L128 PolarHBondContact N-O 2.9Å; V64-L128 PolarHBondContact O-N 3.47Å
65V97.3Very high86.5Confident2 Ų251.4 Ų51.41%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-114.2125.4176175.30000109.4F18 L23 V27 L28 M30 T67 I126 L127F18-V65 HydrophobicContact CD1-CG1 4.41Å; F18-V65 HydrophobicContact CE1-CG1 3.52Å; F18-V65 HydrophobicContact CZ-CG1 4.09Å; L23-V65 HydrophobicContact CD1-CG2 4.39Å; L23-V65 HydrophobicContact CD2-CG2 3.65Å; V27-V65 HydrophobicContact CG2-CB 4.41Å; V27-V65 HydrophobicContact CG2-CG2 3.67Å; L28-V65 PolarHBondContact O-N 2.93Å; M30-V65 PolarHBondContact N-O 3.05Å; V65-T67 HydrophobicContact CG1-CG2 4.06Å; V65-I126 CarbonylContact C-O 3.54Å; V65-I126 WeakPolarHBondContact CA-O 3.39Å; V65-L127 HydrophobicContact CG2-CB 4.23Å; V65-L127 HydrophobicContact CG2-CD1 3.69Å
66F97.6Very high88.7Confident0 Ų044.7 Ų44.70%028%0.28CS..EExtended strand (participates in β ladder)trans-102.4129.1172-74.6-94.6000110.3M30 V32 A45 V64 T76 C79 V80 L83 C125 I126 L128M30-F66 HydrophobicContact CB-CD1 3.49Å; M30-F66 VanDerWaalsContact CB-CD1 3.49Å; M30-F66 HydrophobicContact CB-CD2 4.48Å; M30-F66 HydrophobicContact CB-CE1 3.52Å; M30-F66 HydrophobicContact CB-CG 4.01Å; M30-F66 HydrophobicContact CB-CZ 4.06Å; M30-F66 HydrophobicContact CG-CD1 4.25Å; M30-F66 HydrophobicContact CG-CE1 3.83Å; M30-F66 HydrophobicContact CG-CE2 4.36Å; M30-F66 HydrophobicContact CG-CZ 3.89Å; M30-F66 WeakPolarHBondContact O-CA 3.5Å; V32-F66 HydrophobicContact CG2-CD1 3.86Å; A45-F66 HydrophobicContact CB-CZ 3.89Å; V64-F66 HydrophobicContact CB-CE2 4.4Å; V64-F66 HydrophobicContact CG1-CD2 4.45Å; V64-F66 HydrophobicContact CG1-CE2 3.91Å; V64-F66 HydrophobicContact CG2-CD2 4.01Å; V64-F66 HydrophobicContact CG2-CE2 3.52Å; V64-F66 HydrophobicContact CG2-CZ 4.14Å; F66-T76 HydrophobicContact CB-CG2 3.68Å; F66-C79 HydrophobicContact CD1-CB 4.11Å; F66-C79 HydrophobicContact CE1-CB 3.92Å; F66-V80 HydrophobicContact CB-CG2 3.88Å; F66-V80 HydrophobicContact CD2-CG2 3.78Å; F66-V80 HydrophobicContact CG-CG2 3.89Å; F66-L83 HydrophobicContact CE2-CD2 3.57Å; F66-L83 HydrophobicContact CZ-CD2 3.81Å; F66-C125 WeakPolarHBondContact O-CA 3.29Å; F66-I126 PolarHBondContact N-O 2.86Å; F66-I126 PolarHBondContact O-N 3.46Å; F66-L128 HydrophobicContact CD2-CD1 4.49Å; F66-L128 HydrophobicContact CE2-CD1 4.35Å
67T96.3Very high90.8Very high12 Ų1243.9 Ų43.97%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-122.8130.3175.759.90000111.7F18 H29 M30 V32 V65 I124 C125F18-T67 HydrophobicContact CE1-CG2 3.58Å; F18-T67 HydrophobicContact CZ-CG2 3.6Å; H29-T67 WeakPolarHBondContact NE2-CG2 3.25Å; H29-T67 PolarHBondContact NE2-OG1 2.82Å; M30-T67 PolarHBondContact O-N 2.69Å; V32-T67 PolarHBondContact N-O 2.94Å; V65-T67 HydrophobicContact CG1-CG2 4.06Å; T67-I124 VanDerWaalsContact CA-O 3.31Å; T67-I124 WeakPolarHBondContact CA-O 3.17Å; T67-C125 HydrophobicContact CG2-CB 4.28Å
68G96Very high93Very high0 Ų041.2 Ų41.20%023%0.234CC..EExtended strand (participates in β ladder)trans-130.5136.3176.500000111.8I73 T76 A123 I124G68-I73 WeakPolarHBondContact O-CG1 3.34Å; G68-T76 WeakPolarHBondContact CA-OG1 3.33Å; G68-T76 PolarHBondContact N-OG1 2.97Å; G68-A123 CarbonylContact O-C 3.54Å; G68-A123 VanDerWaalsContact O-CA 3.29Å; G68-A123 WeakPolarHBondContact O-CA 3.49Å; G68-I124 PolarHBondContact N-O 3.18Å; G68-I124 PolarHBondContact O-N 3.25Å
69L94.6Very high94.8Very high22 Ų2238.2 Ų38.212%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-116137.2178.1-70.378.8000110.3E13 R71 G72 M99 V101 V121 A123E13-L69 HydrophobicContact CG-CD2 4.22Å; L69-R71 PolarHBondContact O-N 2.82Å; L69-R71 VanDerWaalsContact O-N 3.11Å; L69-G72 PolarHBondContact O-N 2.75Å; L69-M99 HydrophobicContact CD2-CB 3.72Å; L69-M99 HydrophobicContact CD2-CG 4.27Å; L69-M99 HydrophobicContact CG-CB 4.44Å; L69-V101 HydrophobicContact CD2-CG1 3.85Å; L69-V121 HydrophobicContact CB-CG1 4.27Å; L69-A123 HydrophobicContact CG-CB 3.98Å
70G94.1Very high96Very high25 Ų2534.1 Ų34.126%0.25818%0.175SC..G310 helixtrans46.9-116.1177.500000112.2G72 I73 P122G70-G72 PolarHBondContact O-N 2.9Å; G70-I73 WeakPolarHBondContact O-CB 3.4Å; G70-I73 WeakPolarHBondContact O-CD1 3.34Å; G70-I73 VanDerWaalsContact O-CG1 3.25Å; G70-I73 WeakPolarHBondContact O-CG1 3.26Å; G70-I73 PolarHBondContact O-N 2.97Å; G70-P122 PolarHBondContact N-O 3.43Å
71R93.7Very high96.6Very high185 Ų18535.1 Ų35.170%0.69817%0.174SC*.G310 helixtrans-64.4-10.8-179.7-63.4-174.958.5-124.9-6.9114.9E34 L69E34-R71 IonicContact OE1-CZ 2.68Å; E34-R71 IonicContact OE1-NH1 3.3Å; E34-R71 PolarHBondContact OE1-NH1 3.36Å; E34-R71 IonicContact OE1-NH2 3.38Å; E34-R71 PolarHBondContact OE1-NH2 2.88Å; E34-R71 IonicContact OE2-CZ 3Å; E34-R71 IonicContact OE2-NH1 3.26Å; E34-R71 PolarHBondContact OE2-NH1 2.82Å; L69-R71 PolarHBondContact O-N 2.82Å; L69-R71 VanDerWaalsContact O-N 3.11Å
72G95.2Very high96.8Very high2 Ų236.8 Ų36.82%0.02118%0.182CC..G310 helixtrans-83-14.5172.700000114.6L69 G70 T74 K75 T76L69-G72 PolarHBondContact O-N 2.75Å; G70-G72 PolarHBondContact O-N 2.9Å; G72-T74 PolarHBondContact O-N 3.48Å; G72-K75 PolarHBondContact O-N 2.83Å; G72-T76 PolarHBondContact O-N 3.43Å; G72-T76 PolarHBondContact O-OG1 3.37Å
73I97.2Very high96.9Very high38 Ų3832 Ų3220%0.19516%0.164CC..Hα-helixtrans-58.5-54-173.6-71.1169.7000111.3G68 G70 K75 T76 I77 P122 I124G68-I73 WeakPolarHBondContact O-CG1 3.34Å; G70-I73 WeakPolarHBondContact O-CB 3.4Å; G70-I73 WeakPolarHBondContact O-CD1 3.34Å; G70-I73 VanDerWaalsContact O-CG1 3.25Å; G70-I73 WeakPolarHBondContact O-CG1 3.26Å; G70-I73 PolarHBondContact O-N 2.97Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 2.95Å; I73-T76 WeakPolarHBondContact O-CA 3.45Å; I73-T76 WeakPolarHBondContact O-CB 3.34Å; I73-T76 PolarHBondContact O-N 3.08Å; I73-I77 HydrophobicContact CG2-CD1 4.06Å; I73-I77 PolarHBondContact O-N 3.01Å; I73-I77 VanDerWaalsContact O-N 3.08Å; I73-P122 HydrophobicContact CD1-CB 4.29Å; I73-P122 HydrophobicContact CD1-CG 4.46Å; I73-I124 HydrophobicContact CB-CG2 4.25Å; I73-I124 HydrophobicContact CG1-CG2 4.04Å; I73-I124 HydrophobicContact CG2-CB 4.4Å; I73-I124 HydrophobicContact CG2-CG2 3.95Å
74T97.9Very high96.9Very high106 Ų10631.4 Ų31.465%0.6516%0.161SC*.Hα-helixtrans-56.9-43.8-178.4-51.70000111.8G72 T76 I77 T78G72-T74 PolarHBondContact O-N 3.48Å; T74-T76 VanDerWaalsContact C-N 3.27Å; T74-T76 PolarHBondContact O-N 3.3Å; T74-I77 PolarHBondContact O-N 3.26Å; T74-T78 PolarHBondContact O-N 3.5Å; T74-T78 PolarHBondContact O-OG1 2.74Å
75K98.1Very high96.8Very high40 Ų4038.6 Ų38.617%0.17419%0.188CC..Hα-helixtrans-63.5-35.4177.7-171.1-176.9-62.5176.30112.2V32 K33 E34 S36 I38 G72 I73 T78 C79V32-K75 HydrophobicContact CG1-CB 3.84Å; V32-K75 HydrophobicContact CG1-CD 3.62Å; V32-K75 HydrophobicContact CG1-CG 3.66Å; K33-K75 PolarHBondContact O-NZ 2.9Å; E34-K75 VanDerWaalsContact C-NZ 3.35Å; E34-K75 PolarHBondContact O-NZ 2.88Å; S36-K75 PolarHBondContact O-NZ 2.98Å; I38-K75 HydrophobicContact CD1-CD 4.37Å; I38-K75 HydrophobicContact CD1-CG 3.85Å; I38-K75 HydrophobicContact CG1-CD 3.82Å; I38-K75 HydrophobicContact CG1-CG 3.62Å; G72-K75 PolarHBondContact O-N 2.83Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 2.95Å; K75-T78 WeakPolarHBondContact O-CB 3.28Å; K75-T78 PolarHBondContact O-N 2.76Å; K75-C79 PolarHBondContact O-N 3.36Å; K75-C79 PolarHBondContact O-SG 3.37Å
76T98.5Very high96.7Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-62.1-49.1177.3-54.10000110.5V32 F66 G68 G72 I73 T74 T78 C79 V80 I124V32-T76 VanDerWaalsContact CB-OG1 3.3Å; V32-T76 WeakPolarHBondContact CB-OG1 3.27Å; V32-T76 HydrophobicContact CG2-CG2 4.23Å; F66-T76 HydrophobicContact CB-CG2 3.68Å; G68-T76 WeakPolarHBondContact CA-OG1 3.33Å; G68-T76 PolarHBondContact N-OG1 2.97Å; G72-T76 PolarHBondContact O-N 3.43Å; G72-T76 PolarHBondContact O-OG1 3.37Å; I73-T76 WeakPolarHBondContact O-CA 3.45Å; I73-T76 WeakPolarHBondContact O-CB 3.34Å; I73-T76 PolarHBondContact O-N 3.08Å; T74-T76 VanDerWaalsContact C-N 3.27Å; T74-T76 PolarHBondContact O-N 3.3Å; T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 2.62Å; T76-C79 WeakPolarHBondContact O-CB 3.25Å; T76-C79 PolarHBondContact O-N 2.68Å; T76-V80 PolarHBondContact O-N 2.98Å; T76-I124 HydrophobicContact CG2-CG2 4.02Å
77I98.1Very high96.5Very high70 Ų7044.5 Ų44.536%0.35922%0.215SC..Hα-helixtrans-59.6-46.7175.7-60.6167.1000109.6I73 T74 C79 V80 E81 I124 I126I73-I77 HydrophobicContact CG2-CD1 4.06Å; I73-I77 PolarHBondContact O-N 3.01Å; I73-I77 VanDerWaalsContact O-N 3.08Å; T74-I77 PolarHBondContact O-N 3.26Å; I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 3.33Å; I77-V80 PolarHBondContact O-N 3.02Å; I77-V80 VanDerWaalsContact O-N 3.13Å; I77-E81 HydrophobicContact CG2-CG 4.25Å; I77-E81 WeakPolarHBondContact O-CG 3.48Å; I77-E81 PolarHBondContact O-N 3.46Å; I77-I124 HydrophobicContact CD1-CD1 4.14Å; I77-I124 HydrophobicContact CG1-CD1 3.98Å; I77-I126 HydrophobicContact CG1-CD1 4.29Å
78T98.4Very high96.3Very high56 Ų5647.9 Ų47.934%0.34424%0.244SC..Hα-helixtrans-57-43.6176.2-54.50000112.6I38 T74 K75 T76 I82I38-T78 HydrophobicContact CD1-CG2 4.34Å; T74-T78 PolarHBondContact O-N 3.5Å; T74-T78 PolarHBondContact O-OG1 2.74Å; K75-T78 WeakPolarHBondContact O-CB 3.28Å; K75-T78 PolarHBondContact O-N 2.76Å; T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 2.62Å; T78-I82 HydrophobicContact CG2-CD1 3.73Å; T78-I82 HydrophobicContact CG2-CG1 4.48Å; T78-I82 WeakPolarHBondContact O-CD1 3.35Å; T78-I82 VanDerWaalsContact O-CG1 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.33Å; T78-I82 PolarHBondContact O-N 3Å
79C98.5Very high96.3Very high0 Ų049.7 Ų49.70%026%0.263CS..Hα-helixtrans-61.8-44.9176.1-77.20000111.8L42 F66 K75 T76 I77 I82 L83L42-C79 HydrophobicContact CD2-CB 4.31Å; L42-C79 WeakPolarHBondContact CD2-O 3.1Å; F66-C79 HydrophobicContact CD1-CB 4.11Å; F66-C79 HydrophobicContact CE1-CB 3.92Å; K75-C79 PolarHBondContact O-N 3.36Å; K75-C79 PolarHBondContact O-SG 3.37Å; T76-C79 WeakPolarHBondContact O-CB 3.25Å; T76-C79 PolarHBondContact O-N 2.68Å; I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 3.33Å; C79-I82 PolarHBondContact O-N 3.29Å; C79-L83 WeakPolarHBondContact O-CB 3.3Å; C79-L83 PolarHBondContact O-N 3.45Å
80V98.4Very high96.4Very high0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-60.4-49.8177.4161.70000111.4F66 T76 I77 I82 L83 K84 I126 L128F66-V80 HydrophobicContact CB-CG2 3.88Å; F66-V80 HydrophobicContact CD2-CG2 3.78Å; F66-V80 HydrophobicContact CG-CG2 3.89Å; T76-V80 PolarHBondContact O-N 2.98Å; I77-V80 PolarHBondContact O-N 3.02Å; I77-V80 VanDerWaalsContact O-N 3.13Å; V80-I82 VanDerWaalsContact C-N 3.34Å; V80-I82 PolarHBondContact O-N 2.8Å; V80-L83 PolarHBondContact O-N 2.94Å; V80-L83 VanDerWaalsContact O-N 3.13Å; V80-K84 HydrophobicContact CG1-CD 4.48Å; V80-K84 PolarHBondContact O-N 3.43Å; V80-I126 HydrophobicContact CB-CD1 4.31Å; V80-I126 HydrophobicContact CG1-CD1 4.43Å; V80-I126 HydrophobicContact CG1-CG2 4.06Å; V80-I126 HydrophobicContact CG2-CB 3.98Å; V80-I126 HydrophobicContact CG2-CD1 3.88Å; V80-I126 HydrophobicContact CG2-CG1 4.5Å; V80-I126 HydrophobicContact CG2-CG2 3.93Å; V80-L128 HydrophobicContact CG1-CD1 4.15Å; V80-L128 HydrophobicContact CG1-CD2 4.17Å; V80-L128 HydrophobicContact CG1-CG 4.47Å; V80-L128 HydrophobicContact CG2-CD1 4.29Å
81E97.6Very high96.5Very high56 Ų5649.1 Ų49.126%0.26225%0.253SS..Hα-helixtrans-64.5-37.7-177.9-66.2-50.6130.300112.6I77 K84I77-E81 HydrophobicContact CG2-CG 4.25Å; I77-E81 WeakPolarHBondContact O-CG 3.48Å; I77-E81 PolarHBondContact O-N 3.46Å; E81-K84 VanDerWaalsContact CD-CE 3.46Å; E81-K84 VanDerWaalsContact CD-NZ 3.27Å; E81-K84 VanDerWaalsContact OE1-CE 3.27Å; E81-K84 WeakPolarHBondContact OE1-CE 3.47Å; E81-K84 IonicContact OE1-NZ 3.8Å; E81-K84 PolarHBondContact OE1-NZ 3.34Å; E81-K84 WeakPolarHBondContact OE2-CE 3.37Å; E81-K84 IonicContact OE2-NZ 2.81Å; E81-K84 PolarHBondContact OE2-NZ 3.02Å; E81-K84 VanDerWaalsContact OE2-NZ 3.08Å
82I97.2Very high96.7Very high38 Ų3840.9 Ų40.920%0.19522%0.222CC..Hα-helixtrans-69.5-38.4174.4-62.6163000110.9I38 L42 T78 C79 V80 R85 K86I38-I82 HydrophobicContact CG2-CD1 4.2Å; L42-I82 HydrophobicContact CD1-CB 3.81Å; L42-I82 HydrophobicContact CD1-CD1 3.79Å; L42-I82 HydrophobicContact CD1-CG1 4.41Å; L42-I82 HydrophobicContact CD1-CG2 3.47Å; L42-I82 VanDerWaalsContact CD1-CG2 3.47Å; L42-I82 HydrophobicContact CD2-CB 4.01Å; L42-I82 HydrophobicContact CD2-CG2 4.11Å; L42-I82 HydrophobicContact CG-CG2 4.41Å; T78-I82 HydrophobicContact CG2-CD1 3.73Å; T78-I82 HydrophobicContact CG2-CG1 4.48Å; T78-I82 WeakPolarHBondContact O-CD1 3.35Å; T78-I82 VanDerWaalsContact O-CG1 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.33Å; T78-I82 PolarHBondContact O-N 3Å; C79-I82 PolarHBondContact O-N 3.29Å; V80-I82 VanDerWaalsContact C-N 3.34Å; V80-I82 PolarHBondContact O-N 2.8Å; I82-R85 VanDerWaalsContact CG1-NH2 3.29Å; I82-R85 PolarHBondContact O-N 3.45Å; I82-K86 HydrophobicContact CG2-CD 4.4Å; I82-K86 PolarHBondContact O-N 3.27Å
83L97.3Very high96.9Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-65.8-40.7-179.8-174.363.2000111.7L42 A45 A46 V64 F66 C79 V80 R85 K86 V87 L128L42-L83 HydrophobicContact CD2-CB 4.12Å; A45-L83 HydrophobicContact CB-CD1 4.25Å; A45-L83 HydrophobicContact CB-CD2 4Å; A46-L83 HydrophobicContact CB-CD1 3.98Å; V64-L83 HydrophobicContact CG1-CD2 3.97Å; F66-L83 HydrophobicContact CE2-CD2 3.57Å; F66-L83 HydrophobicContact CZ-CD2 3.81Å; C79-L83 WeakPolarHBondContact O-CB 3.3Å; C79-L83 PolarHBondContact O-N 3.45Å; V80-L83 PolarHBondContact O-N 2.94Å; V80-L83 VanDerWaalsContact O-N 3.13Å; L83-R85 PolarHBondContact O-N 3.49Å; L83-K86 WeakPolarHBondContact O-CA 3.19Å; L83-K86 WeakPolarHBondContact O-CB 3.45Å; L83-K86 PolarHBondContact O-N 3.06Å; L83-V87 HydrophobicContact CD1-CG2 4.09Å; L83-V87 PolarHBondContact O-N 2.74Å; L83-L128 HydrophobicContact CD2-CD1 3.91Å; L83-L128 HydrophobicContact CG-CD1 4.48Å
84K96.6Very high96.9Very high7 Ų741 Ų413%0.0323%0.226CC..Hα-helixtrans-58.7-31.5175.1-72.3-171.6-61.5-170.20113V80 E81 K86 V87 L90 L128 F146V80-K84 HydrophobicContact CG1-CD 4.48Å; V80-K84 PolarHBondContact O-N 3.43Å; E81-K84 VanDerWaalsContact CD-CE 3.46Å; E81-K84 VanDerWaalsContact CD-NZ 3.27Å; E81-K84 VanDerWaalsContact OE1-CE 3.27Å; E81-K84 WeakPolarHBondContact OE1-CE 3.47Å; E81-K84 IonicContact OE1-NZ 3.8Å; E81-K84 PolarHBondContact OE1-NZ 3.34Å; E81-K84 WeakPolarHBondContact OE2-CE 3.37Å; E81-K84 IonicContact OE2-NZ 2.81Å; E81-K84 PolarHBondContact OE2-NZ 3.02Å; E81-K84 VanDerWaalsContact OE2-NZ 3.08Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-V87 CarbonylContact O-C 3.57Å; K84-L90 HydrophobicContact CG-CD1 4.43Å; K84-L128 HydrophobicContact CD-CD2 4.04Å; K84-L128 HydrophobicContact CG-CD1 4.43Å; K84-L128 HydrophobicContact CG-CD2 3.99Å; K84-F146 HydrophobicContact CB-CE2 4.03Å; K84-F146 HydrophobicContact CB-CZ 4.14Å; K84-F146 WeakPolarHBondContact O-CE2 3.34Å
85R95.4Very high96.8Very high151 Ų15137.5 Ų37.557%0.5720%0.202SC*.Hα-helixtrans-72.7-25.5172.9-68.4-170-71.1-100.88.4113.7I82 L83 F146I82-R85 VanDerWaalsContact CG1-NH2 3.29Å; I82-R85 PolarHBondContact O-N 3.45Å; L83-R85 PolarHBondContact O-N 3.49Å; R85-F146 HydrophobicContact CG-CD1 4.11Å; R85-F146 HydrophobicContact CG-CE1 3.75Å; R85-F146 HydrophobicContact CG-CE2 4.25Å; R85-F146 HydrophobicContact CG-CG 4.48Å; R85-F146 HydrophobicContact CG-CZ 3.81Å
86K94Very high96.7Very high115 Ų11542.5 Ų42.550%0.523%0.23SC..Hα-helixtrans-88.7-31.3-179.8-70.7178.1167.6-69.30112.7A46 I82 L83 K84A46-K86 HydrophobicContact CB-CD 4.33Å; I82-K86 HydrophobicContact CG2-CD 4.4Å; I82-K86 PolarHBondContact O-N 3.27Å; L83-K86 WeakPolarHBondContact O-CA 3.19Å; L83-K86 WeakPolarHBondContact O-CB 3.45Å; L83-K86 PolarHBondContact O-N 3.06Å; K84-K86 VanDerWaalsContact C-N 3.34Å
87V93.6Very high96.4Very high11 Ų1143.8 Ų43.87%0.06724%0.238CC..SBendtrans-125.7106.1-178.3-176.20000107.6M49 Q50 L83 K84 L90M49-V87 HydrophobicContact CB-CG2 4.28Å; Q50-V87 HydrophobicContact CG-CG2 3.96Å; L83-V87 HydrophobicContact CD1-CG2 4.09Å; L83-V87 PolarHBondContact O-N 2.74Å; K84-V87 CarbonylContact O-C 3.57Å; V87-L90 HydrophobicContact CB-CD1 3.88Å; V87-L90 HydrophobicContact CB-CG 4.32Å; V87-L90 HydrophobicContact CG1-CD1 4.02Å; V87-L90 HydrophobicContact CG1-CD2 3.93Å; V87-L90 HydrophobicContact CG1-CG 4.01Å; V87-L90 WeakPolarHBondContact O-CD1 3.38Å; V87-L90 WeakPolarHBondContact O-CG 3.37Å
88A92.4Very high96.1Very high83 Ų8348.5 Ų48.569%0.68625%0.253SS*.SBendtrans-71.6162.3179.500000111.8L90A88-L90 PolarHBondContact O-N 3.08Å
89G94.7Very high95.6Very high39 Ų3947 Ų4740%0.40224%0.242SC..SBendtrans76.217.8171.600000115.1
90L97Very high95.2Very high5 Ų548.7 Ų48.73%0.02625%0.253CS..  trans-84.6118.6-177.9-64.4179.7000112.4M49 K84 V87 A88 L128 S129 K130 P143M49-L90 HydrophobicContact CE-CD2 3.52Å; K84-L90 HydrophobicContact CG-CD1 4.43Å; V87-L90 HydrophobicContact CB-CD1 3.88Å; V87-L90 HydrophobicContact CB-CG 4.32Å; V87-L90 HydrophobicContact CG1-CD1 4.02Å; V87-L90 HydrophobicContact CG1-CD2 3.93Å; V87-L90 HydrophobicContact CG1-CG 4.01Å; V87-L90 WeakPolarHBondContact O-CD1 3.38Å; V87-L90 WeakPolarHBondContact O-CG 3.37Å; A88-L90 PolarHBondContact O-N 3.08Å; L90-L128 HydrophobicContact CB-CD2 4.41Å; L90-L128 HydrophobicContact CD1-CB 4.23Å; L90-L128 HydrophobicContact CD1-CD1 4.17Å; L90-S129 CarbonylContact C-O 3.5Å; L90-S129 WeakPolarHBondContact CA-O 3.43Å; L90-K130 HydrophobicContact CD2-CG 3.72Å; L90-P143 WeakPolarHBondContact O-CA 3.46Å
91H97.6Very high94.7Very high29 Ų2948.7 Ų48.713%0.13425%0.253CS..EExtended strand (participates in β ladder)trans-71.5144.6163-67-97.6000109.4L128 S129 D131 L133 Y140H91-L128 CarbonylContact O-C 3.59Å; H91-L128 VanDerWaalsContact O-CA 3.28Å; H91-L128 WeakPolarHBondContact O-CA 3.15Å; H91-S129 PolarHBondContact N-O 3.34Å; H91-S129 PolarHBondContact O-N 2.91Å; H91-D131 PolarHBondContact CD2-O 3.13Å; H91-L133 HydrophobicContact CB-CB 4.33Å; H91-L133 HydrophobicContact CB-CD1 3.85Å; H91-L133 HydrophobicContact CB-CG 3.81Å; H91-Y140 HydrophobicContact CB-CE2 4.17Å; H91-Y140 PolarHBondContact CE1-OH 3.07Å; H91-Y140 AromaticContact ND1-CE2 3.63Å; H91-Y140 AromaticContact ND1-CZ 3.65Å; H91-Y140 PolarHBondContact ND1-OH 3.3Å
92Q97.9Very high94.2Very high12 Ų1247.9 Ų47.96%0.05625%0.25CS..EExtended strand (participates in β ladder)trans-128.5142.3-178-177.2-169.7-70.400111.1S94 I126 L127 L128 Y140 Q141Q92-S94 PolarHBondContact NE2-OG 3.33Å; Q92-I126 HydrophobicContact CG-CG2 3.6Å; Q92-L127 CarbonylContact C-O 3.59Å; Q92-L127 VanDerWaalsContact CA-O 3.25Å; Q92-L127 WeakPolarHBondContact CA-O 3.35Å; Q92-L128 HydrophobicContact CB-CD2 3.76Å; Q92-L128 HydrophobicContact CG-CD2 3.78Å; Q92-Y140 CarbonylContact O-C 3.58Å; Q92-Y140 VanDerWaalsContact O-CA 3.27Å; Q92-Y140 WeakPolarHBondContact O-CA 3.42Å; Q92-Y140 WeakPolarHBondContact O-CD2 3.33Å; Q92-Q141 HydrophobicContact CB-CB 4.18Å; Q92-Q141 PolarHBondContact N-O 2.91Å; Q92-Q141 PolarHBondContact O-N 3.4Å
93V97.9Very high93.7Very high6 Ų647.2 Ų47.24%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-130.5125.3163.7169.90000108.9K95 I126 L127 L133 E137 G139 Y140V93-K95 HydrophobicContact CG1-CD 4.36Å; V93-K95 HydrophobicContact CG1-CG 4.32Å; V93-I126 WeakPolarHBondContact O-CA 3.45Å; V93-L127 PolarHBondContact N-O 3.13Å; V93-L127 PolarHBondContact O-N 2.99Å; V93-L133 HydrophobicContact CB-CD1 4.38Å; V93-L133 HydrophobicContact CG2-CB 4.39Å; V93-L133 HydrophobicContact CG2-CD1 3.7Å; V93-E137 HydrophobicContact CG1-CG 3.99Å; V93-E137 HydrophobicContact CG2-CB 4.49Å; V93-E137 HydrophobicContact CG2-CG 4.11Å; V93-G139 WeakPolarHBondContact CA-O 3.35Å; V93-Y140 HydrophobicContact CG2-CD2 4.13Å
94S97.5Very high93.1Very high36 Ų3649.1 Ų49.125%0.25226%0.258SS..EExtended strand (participates in β ladder)trans-113125.4-179.8-67.60000111.4Q92 G139Q92-S94 PolarHBondContact NE2-OG 3.33Å; S94-G139 PolarHBondContact N-O 3.06Å
95K96.4Very high92.4Very high34 Ų3451.9 Ų51.915%0.14827%0.268CS..EExtended strand (participates in β ladder)trans-120.5133.2177.5-60-61.1-170.3-178.60111P19 I20 V93 I124 C125 E137 L138P19-K95 HydrophobicContact CB-CB 3.99Å; P19-K95 HydrophobicContact CB-CG 4.36Å; P19-K95 HydrophobicContact CG-CB 3.85Å; P19-K95 HydrophobicContact CG-CG 4.49Å; I20-K95 HydrophobicContact CG1-CB 4.35Å; I20-K95 HydrophobicContact CG1-CG 3.74Å; V93-K95 HydrophobicContact CG1-CD 4.36Å; V93-K95 HydrophobicContact CG1-CG 4.32Å; K95-I124 WeakPolarHBondContact O-CA 3.32Å; K95-C125 PolarHBondContact N-O 3.08Å; K95-C125 PolarHBondContact O-N 3.2Å; K95-E137 IonicContact NZ-OE1 2.76Å; K95-E137 PolarHBondContact NZ-OE1 2.98Å; K95-L138 WeakPolarHBondContact CE-O 3.31Å; K95-L138 PolarHBondContact NZ-O 3Å
96L94.8Very high91.6Very high145 Ų14548.4 Ų48.476%0.75926%0.258SS*.EExtended strand (participates in β ladder)trans-98.7138.6169.9-63.1175.5000109I124L96-I124 HydrophobicContact CD2-CB 4.05Å; L96-I124 HydrophobicContact CD2-CD1 4.04Å; L96-I124 HydrophobicContact CD2-CG1 3.87Å
97C92.1Very high90.6Very high27 Ų2744 Ų4418%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-153.6175.417954.90000110P19 M99 A123P19-C97 HydrophobicContact CG-CB 4.49Å; C97-M99 HydrophobicContact CB-CE 4.2Å; C97-M99 WeakPolarHBondContact SG-CE 3.49Å; C97-A123 PolarHBondContact N-O 2.87Å; C97-A123 PolarHBondContact O-N 3.46Å; C97-A123 VanDerWaalsContact O-O 3.11Å
98Y91.8Very high89.3Confident168 Ų16845.6 Ų45.666%0.65926%0.257SS*.EExtended strand (participates in β ladder)trans-110.1142.4167.6-73.7-84.1000109.2T120 V121 P122Y98-T120 HydrophobicContact CD1-CG2 3.79Å; Y98-T120 HydrophobicContact CG-CG2 3.93Å; Y98-V121 WeakPolarHBondContact CA-O 3.19Å; Y98-P122 HydrophobicContact CD1-CB 4.28Å; Y98-P122 HydrophobicContact CE1-CB 3.97Å
99M89.6Confident87.8Confident26 Ų2648.2 Ų48.213%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-123.5136.3178.5-69-72.9139.300109.1A16 L69 C97 V121 A123A16-M99 HydrophobicContact CB-CE 3.73Å; A16-M99 HydrophobicContact CB-SD 3.51Å; A16-M99 VanDerWaalsContact CB-SD 3.51Å; L69-M99 HydrophobicContact CD2-CB 3.72Å; L69-M99 HydrophobicContact CD2-CG 4.27Å; L69-M99 HydrophobicContact CG-CB 4.44Å; C97-M99 HydrophobicContact CB-CE 4.2Å; C97-M99 WeakPolarHBondContact SG-CE 3.49Å; M99-V121 PolarHBondContact N-O 3.42Å; M99-V121 PolarHBondContact O-N 3.34Å; M99-A123 HydrophobicContact CB-CB 4.22Å; M99-A123 HydrophobicContact CG-CB 3.53Å
100T88.9Confident86.3Confident35 Ų3555.5 Ų55.522%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-79.5128173.7-62.30000109.8E14 E118E14-T100 PolarHBondContact N-O 2.95Å; T100-E118 HydrophobicContact CG2-CG 3.2Å; T100-E118 WeakPolarHBondContact CG2-OE1 3.08Å
101V88.3Confident84.4Confident0 Ų062.7 Ų62.70%032%0.324CS..EExtended strand (participates in β ladder)trans-123.1136.7173.4-59.90000110.1S12 E13 L69 R119 V121S12-V101 CarbonylContact O-C 3.59Å; S12-V101 VanDerWaalsContact O-CA 3.31Å; S12-V101 WeakPolarHBondContact O-CA 3.32Å; S12-V101 WeakPolarHBondContact O-CB 3.42Å; E13-V101 HydrophobicContact CG-CG1 4.03Å; L69-V101 HydrophobicContact CD2-CG1 3.85Å; V101-R119 HydrophobicContact CG2-CB 3.93Å; V101-R119 WeakPolarHBondContact CG2-O 3.28Å; V101-R119 PolarHBondContact N-O 2.99Å; V101-R119 PolarHBondContact O-N 2.62Å; V101-V121 HydrophobicContact CG2-CB 4.4Å; V101-V121 HydrophobicContact CG2-CG2 3.51Å
102N87.4Confident82.6Confident39 Ų3965 Ų6521%0.20935%0.347CS..EExtended strand (participates in β ladder)trans-100.1118.3177.4-68.6-40.2000108.6R11 S12 T116R11-N102 CarbonylContact C-O 3.56Å; R11-N102 WeakPolarHBondContact CA-O 3.27Å; S12-N102 PolarHBondContact N-O 3.5Å; S12-N102 PolarHBondContact O-N 2.82Å; S12-N102 WeakPolarHBondContact OG-CB 3.41Å; N102-T116 HydrophobicContact CB-CG2 4.01Å
103E86.3Confident81.5Confident24 Ų2466.5 Ų66.511%0.11236%0.362CS..EExtended strand (participates in β ladder)trans-105.1122.7176.2-63.8-168.5135.800109.7R8 G10 R11 W105 T116 V117R8-E103 WeakPolarHBondContact CD-OE1 3.27Å; R8-E103 HydrophobicContact CG-CB 4.49Å; R8-E103 IonicContact CZ-OE1 3.75Å; R8-E103 IonicContact NH1-OE1 3.21Å; R8-E103 PolarHBondContact NH1-OE1 3.36Å; G10-E103 WeakPolarHBondContact O-CA 3.15Å; R11-E103 HydrophobicContact CG-CG 4.27Å; E103-W105 VanDerWaalsContact CB-NE1 3.28Å; E103-W105 VanDerWaalsContact O-CD1 3.23Å; E103-W105 WeakPolarHBondContact OE2-CZ2 3.46Å; E103-T116 CarbonylContact O-C 3.54Å; E103-T116 WeakPolarHBondContact O-CA 3.4Å; E103-V117 PolarHBondContact N-O 3.32Å; E103-V117 PolarHBondContact O-N 2.91Å
104V84.7Confident80.5Confident40 Ų4070.8 Ų70.824%0.24239%0.388CS..EExtended strand (participates in β ladder)trans-93.7124176.1-172.50000108.2I9 G10I9-V104 HydrophobicContact CD1-CG1 3.81Å; I9-V104 HydrophobicContact CG1-CB 4.1Å; I9-V104 HydrophobicContact CG1-CG1 3.81Å; I9-V104 WeakPolarHBondContact CG1-O 3.41Å; I9-V104 PolarHBondContact N-O 3.01Å; G10-V104 PolarHBondContact N-O 3.4Å; G10-V104 PolarHBondContact O-N 2.61Å
105W81.3Confident79.8Confident64 Ų6471.9 Ų71.924%0.24239%0.393CS..EExtended strand (participates in β ladder)trans-115.9137.1-178.8-62.785.7000110R6 R8 E103 T114 T115R6-W105 HydrophobicContact CB-CE3 4.07Å; R8-W105 HydrophobicContact CB-CD2 4.12Å; R8-W105 HydrophobicContact CB-CE3 3.8Å; R8-W105 HydrophobicContact CB-CH2 3.8Å; R8-W105 HydrophobicContact CB-CZ2 4.09Å; R8-W105 HydrophobicContact CB-CZ3 3.65Å; R8-W105 HydrophobicContact CG-CD2 4.36Å; R8-W105 HydrophobicContact CG-CH2 4.36Å; R8-W105 HydrophobicContact CG-CZ2 4.15Å; E103-W105 VanDerWaalsContact CB-NE1 3.28Å; E103-W105 VanDerWaalsContact O-CD1 3.23Å; E103-W105 WeakPolarHBondContact OE2-CZ2 3.46Å; W105-T114 WeakPolarHBondContact O-CA 3.49Å; W105-T115 PolarHBondContact N-O 3.46Å; W105-T115 PolarHBondContact O-N 2.89Å
106E79.9Confident79.2Confident78 Ų7874.4 Ų74.436%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-103.6132.1173.3-163.3173.5-160.300109.4R7 I9R7-E106 PolarHBondContact N-O 3.18Å; R7-E106 PolarHBondContact O-N 2.78Å; I9-E106 HydrophobicContact CD1-CB 4.09Å; I9-E106 HydrophobicContact CG1-CB 4.35Å; I9-E106 HydrophobicContact CG2-CB 3.93Å
107S73Confident78.8Confident22 Ų2269.3 Ų69.315%0.15439%0.387CS..PPolyproline II helixtrans-83.5167.5172.7-53.30000110.3A113S107-A113 PolarHBondContact N-O 3.49Å; S107-A113 PolarHBondContact OG-O 3.49Å
108A66.2Low78.6Confident46 Ų4673.9 Ų73.938%0.3841%0.405SS..PPolyproline II helixtrans-52.9156.4-173.900000113.3Q110 E111A108-Q110 PolarHBondContact O-N 2.94Å; A108-E111 PolarHBondContact O-N 3.06Å
109P61.4Low78.5Confident137 Ų13772.5 Ų72.589%0.8940%0.399SS*.THydrogen-bonded Turntrans-56-22.8-169.1-25.533.4000115.4E111P109-E111 VanDerWaalsContact C-N 3.31Å; P109-E111 PolarHBondContact O-N 3.5Å
110Q61.5Low78.6Confident193 Ų19375.8 Ų75.890%0.90242%0.421SS*.THydrogen-bonded Turntrans-76.7-15.6-177.2-157.6166.67.600113.4A108A108-Q110 PolarHBondContact O-N 2.94Å
111E57.9Low78.8Confident156 Ų15675.3 Ų75.373%0.72942%0.417SS*.THydrogen-bonded Turntrans-124.4-8.4-176.4-72-172.2168.800115.6A108 P109 A113A108-E111 PolarHBondContact O-N 3.06Å; P109-E111 VanDerWaalsContact C-N 3.31Å; P109-E111 PolarHBondContact O-N 3.5Å; E111-A113 PolarHBondContact O-N 3.33Å
112A60.4Low79.1Confident76 Ų7678.2 Ų78.263%0.62844%0.436SS*.  trans37.727173.400000116.9
113A73.3Confident79.4Confident45 Ų4576.5 Ų76.537%0.37243%0.428SS..  trans-89.9121-176.700000109S107 E111S107-A113 PolarHBondContact N-O 3.49Å; S107-A113 PolarHBondContact OG-O 3.49Å; E111-A113 PolarHBondContact O-N 3.33Å
114T77.4Confident79.9Confident95 Ų9576 Ų7658%0.58343%0.426SS*.EExtended strand (participates in β ladder)trans-86.8130.2171.957.60000109.4I9 W105I9-T114 HydrophobicContact CD1-CG2 4.39Å; W105-T114 WeakPolarHBondContact O-CA 3.49Å
115T82.6Confident80.5Confident59 Ų5974.4 Ų74.436%0.36242%0.416SS..EExtended strand (participates in β ladder)trans-119.6121.8175.1-56.40000108.9W105 V117W105-T115 PolarHBondContact N-O 3.46Å; W105-T115 PolarHBondContact O-N 2.89Å; T115-V117 HydrophobicContact CG2-CG2 4.11Å
116T83.8Confident81.2Confident88 Ų8871.5 Ų71.554%0.5441%0.406SS..EExtended strand (participates in β ladder)trans-90.7125.2171.5-56.90000108.7N102 E103N102-T116 HydrophobicContact CB-CG2 4.01Å; E103-T116 CarbonylContact O-C 3.54Å; E103-T116 WeakPolarHBondContact O-CA 3.4Å
117V86.6Confident82.1Confident38 Ų3868.1 Ų68.123%0.2339%0.39CS..EExtended strand (participates in β ladder)trans-115120.1177.2-177.60000108.6E103 T115 R119E103-V117 PolarHBondContact N-O 3.32Å; E103-V117 PolarHBondContact O-N 2.91Å; T115-V117 HydrophobicContact CG2-CG2 4.11Å; V117-R119 HydrophobicContact CG1-CG 4.19Å
118E89.1Confident83.3Confident122 Ų12267 Ų6757%0.5738%0.382SS*.EExtended strand (participates in β ladder)trans-78.2131.4171.6-168.1178.7122.300109.9T100T100-E118 HydrophobicContact CG2-CG 3.2Å; T100-E118 WeakPolarHBondContact CG2-OE1 3.08Å
119R89.3Confident84.8Confident140 Ų14064.9 Ų64.953%0.52836%0.364SS..EExtended strand (participates in β ladder)trans-132131.7178.3-62.8-65-171-173.6-2.3110.2V101 V117 V121V101-R119 HydrophobicContact CG2-CB 3.93Å; V101-R119 WeakPolarHBondContact CG2-O 3.28Å; V101-R119 PolarHBondContact N-O 2.99Å; V101-R119 PolarHBondContact O-N 2.62Å; V117-R119 HydrophobicContact CG1-CG 4.19Å; R119-V121 HydrophobicContact CB-CG2 4.36Å
120T91.1Very high86.4Confident95 Ų9561 Ų6158%0.58333%0.334SS*.EExtended strand (participates in β ladder)trans-83.7121.9168.3-47.60000109.4Y98Y98-T120 HydrophobicContact CD1-CG2 3.79Å; Y98-T120 HydrophobicContact CG-CG2 3.93Å
121V92.4Very high88Confident24 Ų2454.9 Ų54.915%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-123.6134.5-175.6177.30000109.8L69 Y98 M99 V101 R119L69-V121 HydrophobicContact CB-CG1 4.27Å; Y98-V121 WeakPolarHBondContact CA-O 3.19Å; M99-V121 PolarHBondContact N-O 3.42Å; M99-V121 PolarHBondContact O-N 3.34Å; V101-V121 HydrophobicContact CG2-CB 4.4Å; V101-V121 HydrophobicContact CG2-CG2 3.51Å; R119-V121 HydrophobicContact CB-CG2 4.36Å
122P94.9Very high89.8Confident61 Ų6152.5 Ų52.540%0.39631%0.305SS..EExtended strand (participates in β ladder)trans-62142.9175.426.2-35.1000110.7G70 I73 Y98G70-P122 PolarHBondContact N-O 3.43Å; I73-P122 HydrophobicContact CD1-CB 4.29Å; I73-P122 HydrophobicContact CD1-CG 4.46Å; Y98-P122 HydrophobicContact CD1-CB 4.28Å; Y98-P122 HydrophobicContact CE1-CB 3.97Å
123A94.7Very high91.4Very high4 Ų450.3 Ų50.33%0.03328%0.283CS..EExtended strand (participates in β ladder)trans-138.8149.8-177.500000111.3G68 L69 C97 M99G68-A123 CarbonylContact O-C 3.54Å; G68-A123 VanDerWaalsContact O-CA 3.29Å; G68-A123 WeakPolarHBondContact O-CA 3.49Å; L69-A123 HydrophobicContact CG-CB 3.98Å; C97-A123 PolarHBondContact N-O 2.87Å; C97-A123 PolarHBondContact O-N 3.46Å; C97-A123 VanDerWaalsContact O-O 3.11Å; M99-A123 HydrophobicContact CB-CB 4.22Å; M99-A123 HydrophobicContact CG-CB 3.53Å
124I96.3Very high92.5Very high13 Ų1352.6 Ų52.67%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-119.8135.9170.4-166.9168000109.3T67 G68 I73 T76 I77 K95 L96 I126T67-I124 VanDerWaalsContact CA-O 3.31Å; T67-I124 WeakPolarHBondContact CA-O 3.17Å; G68-I124 PolarHBondContact N-O 3.18Å; G68-I124 PolarHBondContact O-N 3.25Å; I73-I124 HydrophobicContact CB-CG2 4.25Å; I73-I124 HydrophobicContact CG1-CG2 4.04Å; I73-I124 HydrophobicContact CG2-CB 4.4Å; I73-I124 HydrophobicContact CG2-CG2 3.95Å; T76-I124 HydrophobicContact CG2-CG2 4.02Å; I77-I124 HydrophobicContact CD1-CD1 4.14Å; I77-I124 HydrophobicContact CG1-CD1 3.98Å; K95-I124 WeakPolarHBondContact O-CA 3.32Å; L96-I124 HydrophobicContact CD2-CB 4.05Å; L96-I124 HydrophobicContact CD2-CD1 4.04Å; L96-I124 HydrophobicContact CD2-CG1 3.87Å; I124-I126 HydrophobicContact CD1-CD1 3.79Å; I124-I126 HydrophobicContact CD1-CG1 4Å; I124-I126 HydrophobicContact CG1-CD1 4.17Å; I124-I126 HydrophobicContact CG1-CG1 3.86Å
125C96.4Very high93.4Very high6 Ų652 Ų524%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-121.6122.9171.5-610000108.2F18 P19 I20 F66 T67 K95F18-C125 HydrophobicContact CE1-CB 4.47Å; P19-C125 HydrophobicContact CG-CB 3.88Å; I20-C125 HydrophobicContact CD1-CB 4.03Å; I20-C125 HydrophobicContact CG1-CB 4.38Å; F66-C125 WeakPolarHBondContact O-CA 3.29Å; T67-C125 HydrophobicContact CG2-CB 4.28Å; K95-C125 PolarHBondContact N-O 3.08Å; K95-C125 PolarHBondContact O-N 3.2Å
126I97.9Very high94Very high4 Ų456.8 Ų56.82%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-124115.1-179.6-52.3177000108.7V65 F66 I77 V80 Q92 V93 I124V65-I126 CarbonylContact C-O 3.54Å; V65-I126 WeakPolarHBondContact CA-O 3.39Å; F66-I126 PolarHBondContact N-O 2.86Å; F66-I126 PolarHBondContact O-N 3.46Å; I77-I126 HydrophobicContact CG1-CD1 4.29Å; V80-I126 HydrophobicContact CB-CD1 4.31Å; V80-I126 HydrophobicContact CG1-CD1 4.43Å; V80-I126 HydrophobicContact CG1-CG2 4.06Å; V80-I126 HydrophobicContact CG2-CB 3.98Å; V80-I126 HydrophobicContact CG2-CD1 3.88Å; V80-I126 HydrophobicContact CG2-CG1 4.5Å; V80-I126 HydrophobicContact CG2-CG2 3.93Å; Q92-I126 HydrophobicContact CG-CG2 3.6Å; V93-I126 WeakPolarHBondContact O-CA 3.45Å; I124-I126 HydrophobicContact CD1-CD1 3.79Å; I124-I126 HydrophobicContact CD1-CG1 4Å; I124-I126 HydrophobicContact CG1-CD1 4.17Å; I124-I126 HydrophobicContact CG1-CG1 3.86Å
127L97.9Very high94.5Very high6 Ų655.4 Ų55.43%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-85.5134.6168.4171.465.2000109I20 L23 Q63 V65 Q92 V93 L133I20-L127 HydrophobicContact CD1-CB 3.67Å; I20-L127 HydrophobicContact CG2-CB 4.19Å; I20-L127 HydrophobicContact CG2-CD2 3.89Å; L23-L127 HydrophobicContact CD2-CD1 4Å; L23-L127 HydrophobicContact CD2-CD2 4.18Å; Q63-L127 HydrophobicContact CB-CD1 4.01Å; Q63-L127 HydrophobicContact CG-CD1 4.29Å; V65-L127 HydrophobicContact CG2-CB 4.23Å; V65-L127 HydrophobicContact CG2-CD1 3.69Å; Q92-L127 CarbonylContact C-O 3.59Å; Q92-L127 VanDerWaalsContact CA-O 3.25Å; Q92-L127 WeakPolarHBondContact CA-O 3.35Å; V93-L127 PolarHBondContact N-O 3.13Å; V93-L127 PolarHBondContact O-N 2.99Å; L127-L133 HydrophobicContact CD2-CD1 3.92Å; L127-L133 HydrophobicContact CD2-CD2 4.03Å; L127-L133 HydrophobicContact CG-CD1 4.29Å
128L97.9Very high94.9Very high0 Ų060.3 Ų60.30%032%0.316CS..EExtended strand (participates in β ladder)trans-118129.2163.2-63.1170.2000108.6Q63 V64 F66 V80 L83 K84 L90 H91 Q92Q63-L128 WeakPolarHBondContact CA-O 3.31Å; V64-L128 HydrophobicContact CG1-CB 3.82Å; V64-L128 HydrophobicContact CG1-CD1 4.26Å; V64-L128 PolarHBondContact N-O 2.9Å; V64-L128 PolarHBondContact O-N 3.47Å; F66-L128 HydrophobicContact CD2-CD1 4.49Å; F66-L128 HydrophobicContact CE2-CD1 4.35Å; V80-L128 HydrophobicContact CG1-CD1 4.15Å; V80-L128 HydrophobicContact CG1-CD2 4.17Å; V80-L128 HydrophobicContact CG1-CG 4.47Å; V80-L128 HydrophobicContact CG2-CD1 4.29Å; L83-L128 HydrophobicContact CD2-CD1 3.91Å; L83-L128 HydrophobicContact CG-CD1 4.48Å; K84-L128 HydrophobicContact CD-CD2 4.04Å; K84-L128 HydrophobicContact CG-CD1 4.43Å; K84-L128 HydrophobicContact CG-CD2 3.99Å; L90-L128 HydrophobicContact CB-CD2 4.41Å; L90-L128 HydrophobicContact CD1-CB 4.23Å; L90-L128 HydrophobicContact CD1-CD1 4.17Å; H91-L128 CarbonylContact O-C 3.59Å; H91-L128 VanDerWaalsContact O-CA 3.28Å; H91-L128 WeakPolarHBondContact O-CA 3.15Å; Q92-L128 HydrophobicContact CB-CD2 3.76Å; Q92-L128 HydrophobicContact CG-CD2 3.78Å
129S96.8Very high95.2Very high0 Ų056.5 Ų56.50%031%0.31CS..EExtended strand (participates in β ladder)trans-130.2141.4179.7-172.40000111.2Q63 L90 H91 D131Q63-S129 WeakPolarHBondContact CG-OG 3.49Å; L90-S129 CarbonylContact C-O 3.5Å; L90-S129 WeakPolarHBondContact CA-O 3.43Å; H91-S129 PolarHBondContact N-O 3.34Å; H91-S129 PolarHBondContact O-N 2.91Å; S129-D131 VanDerWaalsContact C-N 3.29Å; S129-D131 WeakPolarHBondContact CB-O 3.48Å; S129-D131 PolarHBondContact OG-N 2.96Å; S129-D131 PolarHBondContact OG-O 2.94Å
130K95.3Very high95.6Very high56 Ų5652.3 Ų52.324%0.24329%0.294CS..SBendtrans-78.8-17167-65.1-176176.6-171.80112.9M49 R62 L90M49-K130 HydrophobicContact CE-CD 4.4Å; M49-K130 HydrophobicContact CE-CG 3.84Å; M49-K130 WeakPolarHBondContact O-CE 3.46Å; M49-K130 PolarHBondContact O-NZ 3.25Å; R62-K130 VanDerWaalsContact NH1-CD 3.28Å; R62-K130 PolarHBondContact NH2-O 3.18Å; R62-K130 PolarHBondContact O-N 3.38Å; L90-K130 HydrophobicContact CD2-CG 3.72Å
131D95.2Very high95.9Very high64 Ų6450.8 Ų50.834%0.34228%0.281SS..SBendtrans-92.8148.1177.4-56.1-47.4000108.7R62 H91 S129 L133R62-D131 WeakPolarHBondContact CB-OD2 3.47Å; R62-D131 IonicContact CZ-OD1 3.37Å; R62-D131 IonicContact NE-OD1 2.74Å; R62-D131 PolarHBondContact NE-OD1 3.28Å; R62-D131 IonicContact NE-OD2 3.08Å; R62-D131 PolarHBondContact NE-OD2 3Å; R62-D131 IonicContact NH2-OD1 3.29Å; R62-D131 PolarHBondContact NH2-OD1 3.21Å; H91-D131 PolarHBondContact CD2-O 3.13Å; S129-D131 VanDerWaalsContact C-N 3.29Å; S129-D131 WeakPolarHBondContact CB-O 3.48Å; S129-D131 PolarHBondContact OG-N 2.96Å; S129-D131 PolarHBondContact OG-O 2.94Å; D131-L133 PolarHBondContact O-N 3.4Å
132P95.4Very high96.2Very high107 Ų10753.3 Ų53.370%0.69530%0.298SS*.PPolyproline II helixtrans-55.8134.4176-25.835.1000111.7
133L95.6Very high96.3Very high29 Ų2952.5 Ų52.515%0.15229%0.292CS..PPolyproline II helixtrans-102.8162170.6-55.9175.2000109.1H91 V93 L127 D131 P135 Y140H91-L133 HydrophobicContact CB-CB 4.33Å; H91-L133 HydrophobicContact CB-CD1 3.85Å; H91-L133 HydrophobicContact CB-CG 3.81Å; V93-L133 HydrophobicContact CB-CD1 4.38Å; V93-L133 HydrophobicContact CG2-CB 4.39Å; V93-L133 HydrophobicContact CG2-CD1 3.7Å; L127-L133 HydrophobicContact CD2-CD1 3.92Å; L127-L133 HydrophobicContact CD2-CD2 4.03Å; L127-L133 HydrophobicContact CG-CD1 4.29Å; D131-L133 PolarHBondContact O-N 3.4Å; L133-P135 WeakPolarHBondContact O-CD 3.31Å; L133-P135 VanDerWaalsContact O-N 3.16Å; L133-Y140 HydrophobicContact CB-CD2 4.04Å; L133-Y140 HydrophobicContact CB-CE2 3.92Å
134D95.4Very high96Very high94 Ų9455.3 Ų55.350%0.50331%0.305SS..  trans-58.7116176.3179.96.3000110.7Q136 E137D134-Q136 PolarHBondContact O-N 2.82Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q136 PolarHBondContact OD1-N 3.38Å; D134-E137 HydrophobicContact CB-CB 4.22Å; D134-E137 VanDerWaalsContact O-CB 3.3Å; D134-E137 WeakPolarHBondContact O-CB 3.18Å; D134-E137 PolarHBondContact O-N 3.27Å; D134-E137 VanDerWaalsContact O-N 3.13Å
135P95.9Very high95.1Very high82 Ų8261.2 Ų61.253%0.53234%0.341SS..THydrogen-bonded Turntrans-65.7-17.9178.5-20.834.4000114.2L133 Y140L133-P135 WeakPolarHBondContact O-CD 3.31Å; L133-P135 VanDerWaalsContact O-N 3.16Å; P135-Y140 HydrophobicContact CB-CD1 4.24Å; P135-Y140 HydrophobicContact CB-CE1 3.97Å
136Q96.1Very high93.7Very high160 Ų16065.1 Ų65.175%0.74836%0.358SS*.THydrogen-bonded Turntrans-86.2-8.4176.9-59.1-58.5-55.600112.8D134 L138D134-Q136 PolarHBondContact O-N 2.82Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q136 PolarHBondContact OD1-N 3.38Å; Q136-L138 PolarHBondContact O-N 2.99Å
137E94.9Very high91.7Very high59 Ų5969.8 Ų69.828%0.27639%0.391SS..SBendtrans-65.5131.7178.6-177.356.8-104.600111V93 K95 D134 G139 Y140V93-E137 HydrophobicContact CG1-CG 3.99Å; V93-E137 HydrophobicContact CG2-CB 4.49Å; V93-E137 HydrophobicContact CG2-CG 4.11Å; K95-E137 IonicContact NZ-OE1 2.76Å; K95-E137 PolarHBondContact NZ-OE1 2.98Å; D134-E137 HydrophobicContact CB-CB 4.22Å; D134-E137 VanDerWaalsContact O-CB 3.3Å; D134-E137 WeakPolarHBondContact O-CB 3.18Å; D134-E137 PolarHBondContact O-N 3.27Å; D134-E137 VanDerWaalsContact O-N 3.13Å; E137-G139 PolarHBondContact O-N 3.2Å; E137-Y140 WeakPolarHBondContact O-CB 3.33Å; E137-Y140 PolarHBondContact O-N 2.84Å
138L94.7Very high89.6Confident140 Ų14075.3 Ų75.373%0.73343%0.425SS*.THydrogen-bonded Turntrans-63.8129.4-179.7-69.9177.7000110.6K95 Q136 Y140K95-L138 WeakPolarHBondContact CE-O 3.31Å; K95-L138 PolarHBondContact NZ-O 3Å; Q136-L138 PolarHBondContact O-N 2.99Å; L138-Y140 VanDerWaalsContact C-N 3.31Å
139G95.8Very high87.2Confident43 Ų4378.8 Ų78.844%0.44345%0.448SS..THydrogen-bonded Turntrans82.38.5-175.800000113.9V93 S94 E137V93-G139 WeakPolarHBondContact CA-O 3.35Å; S94-G139 PolarHBondContact N-O 3.06Å; E137-G139 PolarHBondContact O-N 3.2Å
140Y97.6Very high85.2Confident51 Ų5183.1 Ų83.120%0.247%0.474CS..EExtended strand (participates in β ladder)trans-61.8141.9167.6175.5-102.4000111.7H91 Q92 V93 L133 P135 E137 L138 P142H91-Y140 HydrophobicContact CB-CE2 4.17Å; H91-Y140 PolarHBondContact CE1-OH 3.07Å; H91-Y140 AromaticContact ND1-CE2 3.63Å; H91-Y140 AromaticContact ND1-CZ 3.65Å; H91-Y140 PolarHBondContact ND1-OH 3.3Å; Q92-Y140 CarbonylContact O-C 3.58Å; Q92-Y140 VanDerWaalsContact O-CA 3.27Å; Q92-Y140 WeakPolarHBondContact O-CA 3.42Å; Q92-Y140 WeakPolarHBondContact O-CD2 3.33Å; V93-Y140 HydrophobicContact CG2-CD2 4.13Å; L133-Y140 HydrophobicContact CB-CD2 4.04Å; L133-Y140 HydrophobicContact CB-CE2 3.92Å; P135-Y140 HydrophobicContact CB-CD1 4.24Å; P135-Y140 HydrophobicContact CB-CE1 3.97Å; E137-Y140 WeakPolarHBondContact O-CB 3.33Å; E137-Y140 PolarHBondContact O-N 2.84Å; L138-Y140 VanDerWaalsContact C-N 3.31Å; Y140-P142 HydrophobicContact CE1-CB 4.16Å
141Q97.8Very high83.4Confident64 Ų6487.2 Ų87.230%0.29949%0.494SS..EExtended strand (participates in β ladder)trans-139.1129170.2176176.325.900109.1Q92Q92-Q141 HydrophobicContact CB-CB 4.18Å; Q92-Q141 PolarHBondContact N-O 2.91Å; Q92-Q141 PolarHBondContact O-N 3.4Å
142P97Very high81.4Confident76 Ų7691.4 Ų91.449%0.49451%0.511SS..PPolyproline II helixtrans-70.2163.6178.930.4-36.2000112Y140 Q144Y140-P142 HydrophobicContact CE1-CB 4.16Å; P142-Q144 PolarHBondContact O-N 3Å
143P97Very high79.3Confident44 Ų4492.1 Ų92.129%0.28651%0.505SS..PPolyproline II helixtrans-55.1135.1174.6-25.334.3000112.7L90L90-P143 WeakPolarHBondContact O-CA 3.46Å
144Q88.9Confident77.3Confident64 Ų6497.6 Ų97.630%0.29953%0.53SS..PPolyproline II helixtrans-85.1136.5176.8-63.9-179.33.700110.4P142 F146P142-Q144 PolarHBondContact O-N 3Å; Q144-F146 HydrophobicContact CB-CD2 4.35Å; Q144-F146 HydrophobicContact CB-CE1 4.35Å; Q144-F146 HydrophobicContact CB-CE2 3.78Å; Q144-F146 HydrophobicContact CB-CZ 3.81Å; Q144-F146 HydrophobicContact CG-CZ 4.47Å; Q144-F146 PolarHBondContact O-N 3.1Å; Q144-F146 VanDerWaalsContact OE1-CE1 3.3Å
145T77.7Confident75.4Confident136 Ų136101.3 Ų101.383%0.83454%0.537SS*.  trans-85.897.3169.453.80000108.6S147T145-S147 PolarHBondContact O-N 3.2Å
146F66.5Low73.4Confident88 Ų88106.9 Ų106.939%0.38655%0.548SS..  trans-83.189.6167.2-57.1-76.6000107.4K84 R85 Q144 V148K84-F146 HydrophobicContact CB-CE2 4.03Å; K84-F146 HydrophobicContact CB-CZ 4.14Å; K84-F146 WeakPolarHBondContact O-CE2 3.34Å; R85-F146 HydrophobicContact CG-CD1 4.11Å; R85-F146 HydrophobicContact CG-CE1 3.75Å; R85-F146 HydrophobicContact CG-CE2 4.25Å; R85-F146 HydrophobicContact CG-CG 4.48Å; R85-F146 HydrophobicContact CG-CZ 3.81Å; Q144-F146 HydrophobicContact CB-CD2 4.35Å; Q144-F146 HydrophobicContact CB-CE1 4.35Å; Q144-F146 HydrophobicContact CB-CE2 3.78Å; Q144-F146 HydrophobicContact CB-CZ 3.81Å; Q144-F146 HydrophobicContact CG-CZ 4.47Å; Q144-F146 PolarHBondContact O-N 3.1Å; Q144-F146 VanDerWaalsContact OE1-CE1 3.3Å; F146-V148 PolarHBondContact O-N 3.17Å; F146-V148 VanDerWaalsContact O-N 3.1Å
147S55.7Low71.3Confident102 Ų102101.1 Ų101.171%0.71353%0.531SS*.  trans-63.9109.9166.149.90000107.3T145 P149T145-S147 PolarHBondContact O-N 3.2Å; S147-P149 WeakPolarHBondContact O-CD 3.33Å
148V53.7Low69.3Low123 Ų123103.4 Ų103.475%0.74555%0.545SS*.PPolyproline II helixtrans-63.1118.7162.9-178.60000105F146 T150F146-V148 PolarHBondContact O-N 3.17Å; F146-V148 VanDerWaalsContact O-N 3.1Å; V148-T150 PolarHBondContact O-N 3.04Å
149P47.8Very low67.3Low73 Ų73102.8 Ų102.847%0.47454%0.542SS..PPolyproline II helixtrans-56.5120.9171-16.829.4000106.3S147 E153S147-P149 WeakPolarHBondContact O-CD 3.33Å; P149-E153 VanDerWaalsContact CA-OE2 3.26Å; P149-E153 WeakPolarHBondContact CA-OE2 3.26Å; P149-E153 HydrophobicContact CB-CB 4.16Å; P149-E153 WeakPolarHBondContact CB-OE2 3.46Å
150T56Low65Low91 Ų91111.2 Ų111.256%0.55856%0.56SS**PPolyproline II helixtrans-63148.9177.1-51.30000106.9V148 E152 E153V148-T150 PolarHBondContact O-N 3.04Å; T150-E152 PolarHBondContact O-N 2.78Å; T150-E153 PolarHBondContact O-N 2.79Å
151E57.7Low62.8Low142 Ų142118.7 Ų118.766%0.66459%0.588SS**Hα-helixtrans-52.6-14.5-178.7-59.6179.3152.300113.9R155E151-R155 PolarHBondContact O-N 2.94Å
152E51.4Low60.6Low151 Ų151121.2 Ų121.271%0.70661%0.608SS**Hα-helixtrans-71.6-33.9170.1-70.8-169.7138.100114.5T150 R156T150-E152 PolarHBondContact O-N 2.78Å; E152-R156 PolarHBondContact O-N 3.4Å; E152-R156 VanDerWaalsContact O-N 3.11Å
153E52.6Low58.2Low122 Ų122121.9 Ų121.957%0.5762%0.62SS**Hα-helixtrans-75.1-35.5179.8-69.7-171.2135.100112.1P149 T150 R156 G157P149-E153 VanDerWaalsContact CA-OE2 3.26Å; P149-E153 WeakPolarHBondContact CA-OE2 3.26Å; P149-E153 HydrophobicContact CB-CB 4.16Å; P149-E153 WeakPolarHBondContact CB-OE2 3.46Å; T150-E153 PolarHBondContact O-N 2.79Å; E153-R156 PolarHBondContact O-N 3.3Å; E153-G157 PolarHBondContact O-N 3.49Å
154E53.6Low55.7Low144 Ų144122.6 Ų122.667%0.67364%0.636SS**Hα-helixtrans-63.5-42.7171.1-93-175.9151.800111.5R156 G157 D158E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.5Å; E154-G157 PolarHBondContact O-N 3.15Å; E154-D158 PolarHBondContact O-N 3.21Å; E154-D158 VanDerWaalsContact O-N 3.15Å
155R54Low53.4Low172 Ų172131 Ų13165%0.64966%0.664SS**Hα-helixtrans-61.1-38.7174.1-98.2-175.3-92.9-122.4-1112.4E151 L159E151-R155 PolarHBondContact O-N 2.94Å; R155-L159 PolarHBondContact O-N 3.11Å
156R54.3Low51.6Low200 Ų200130.6 Ų130.676%0.75566%0.664SS**Hα-helixtrans-70.3-34.2175.8-112.8-179.9-173-106.90.7113E152 E153 E154E152-R156 PolarHBondContact O-N 3.4Å; E152-R156 VanDerWaalsContact O-N 3.11Å; E153-R156 PolarHBondContact O-N 3.3Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.5Å
157G53.7Low50.3Low38 Ų38133.7 Ų133.739%0.39269%0.685SS.*Hα-helixtrans-65.9-40.4177.500000113.2E153 E154 R160 R161E153-G157 PolarHBondContact O-N 3.49Å; E154-G157 PolarHBondContact O-N 3.15Å; G157-R160 PolarHBondContact O-N 3.33Å; G157-R161 PolarHBondContact O-N 3.34Å
158D52.5Low49.6Very low107 Ų107134.6 Ų134.657%0.57269%0.691SS**Hα-helixtrans-69.6-36.3-180-103.53.4000113.1E154 R160 R161 T162E154-D158 PolarHBondContact O-N 3.21Å; E154-D158 VanDerWaalsContact O-N 3.15Å; D158-R160 VanDerWaalsContact C-N 3.27Å; D158-R160 PolarHBondContact O-N 3.32Å; D158-R161 PolarHBondContact O-N 3.31Å; D158-T162 PolarHBondContact O-N 3.38Å
159L51.3Low49.2Very low128 Ų128135.9 Ų135.967%0.6769%0.693SS**Hα-helixtrans-63.7-28.5173.9-89.6147.9000113.3R155 T162R155-L159 PolarHBondContact O-N 3.11Å; L159-T162 PolarHBondContact O-OG1 3.23Å
160R49.3Very low49.1Very low220 Ų220140.6 Ų140.683%0.8371%0.708SS**Hα-helixtrans-83.5-21.7177.1-63-168.289.9-177.76.6113G157 D158G157-R160 PolarHBondContact O-N 3.33Å; D158-R160 VanDerWaalsContact C-N 3.27Å; D158-R160 PolarHBondContact O-N 3.32Å
161R51.3Low48.3Very low208 Ų208143.3 Ų143.379%0.78573%0.725SS**Hα-helixtrans-78.3-30.8178.2-102177.6147.3-167.1-5.1113.2G157 D158G157-R161 PolarHBondContact O-N 3.34Å; D158-R161 PolarHBondContact O-N 3.31Å
162T50.1Low47.6Very low116 Ų116141 Ų14171%0.71273%0.73SS**THydrogen-bonded Turntrans-79.1-17.8-17852.60000113.8D158 L159 G164D158-T162 PolarHBondContact O-N 3.38Å; L159-T162 PolarHBondContact O-OG1 3.23Å; T162-G164 VanDerWaalsContact C-N 3.32Å; T162-G164 PolarHBondContact O-N 3.37Å
163A47.4Very low47.2Very low91 Ų91143.7 Ų143.775%0.75274%0.74SS**THydrogen-bonded Turntrans-83.13.6-177.400000115.2
164G44.9Very low46.8Very low59 Ų59153.4 Ų153.461%0.60877%0.771SS**  trans-11722.7-165.200000117.8T162T162-G164 VanDerWaalsContact C-N 3.32Å; T162-G164 PolarHBondContact O-N 3.37Å
165R39.2Very low46.5Very low239 Ų239153.9 Ų153.990%0.90278%0.776SS**  trans-123.2105.7171.8-77.2178.294.6-166.96.9111.4
166P40.1Very low46.1Very low128 Ų128152.9 Ų152.983%0.83178%0.782SS**  trans-73127.1162.8-2.218.9000109.1S168P166-S168 PolarHBondContact O-N 3.41Å
167N38.8Very low45.6Very low154 Ų154150.3 Ų150.382%0.82478%0.784SS**  trans-69.7116.8176.6-118.1-0.9000110.1
168S41.4Very low45.1Very low120 Ų120156.9 Ų156.984%0.83981%0.807SS**  trans-88.2107.7166.1177.10000108.9P166P166-S168 PolarHBondContact O-N 3.41Å
169L45.8Very low44.7Very low150 Ų150160 Ų16079%0.78582%0.822SS**  trans-78.2146.8174.4-92.7140.4000112
170H45.7Very low44.2Very low172 Ų172162.1 Ų162.180%0.79683%0.832SS**  trans-50.7155.2-179.4-82.8-96.8000117
171T39.5Very low43.9Very low149 Ų149158 Ų15891%0.91483%0.832SS**  trans-143142130.318.90000112.1
172A43.4Very low43.3Very low93 Ų93154.2 Ų154.277%0.76984%0.836SS**  trans-87.5157.6-162.900000114.4
173K43.2Very low42.7Very low208 Ų208157.3 Ų157.390%0.90485%0.846SS**  trans-74134.7164.9-75.6177.4172.1179.40110.7
174R43.2Very low42.3Very low325 Ų325163.4 Ų163.4100%1.22685%0.854SS**  trans-1410143.1-100.5-171.1179.2-136.30.7108.1

Retrieved 174 of 174 residues in 303.4 ms (Link to these results)