A0A5K4F295_SCHMA Loading...

Cadherin

AlphaFold DB , UniProt , Accession A0A5K4F295, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 931 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
1M89.1Confident90.1Very high58 Ų5863.4 Ų63.429%0.28633%0.325SS..  0129.60-179.7173.8-179.100107.4V3 L17 I121 K122 L123 Q124M1-V3 HydrophobicContact CE-CG2 3.84Å; M1-V3 HydrophobicContact CG-CG2 4.35Å; M1-L17 HydrophobicContact CE-CB 3.89Å; M1-L17 HydrophobicContact CE-CD2 3.51Å; M1-L17 HydrophobicContact CE-CG 4.29Å; M1-L17 HydrophobicContact SD-CD2 4.33Å; M1-I121 HydrophobicContact CB-CD1 4.29Å; M1-K122 PolarHBondContact N-O 3.11Å; M1-L123 HydrophobicContact CB-CD1 4.08Å; M1-L123 HydrophobicContact CG-CD1 3.82Å; M1-L123 WeakPolarHBondContact O-CA 3.27Å; M1-L123 HydrophobicContact SD-CD1 3.97Å; M1-Q124 PolarHBondContact O-N 3.37Å
2H91.9Very high89.9Confident110 Ų11062 Ų6251%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-112.1133.9178-65.7-103.3000108.6Y4 Q124 H126H2-Y4 HydrophobicContact CB-CE2 4.32Å; H2-Q124 WeakPolarHBondContact CA-O 3.42Å; H2-Q124 PolarHBondContact CE1-OE1 3.12Å; H2-Q124 PolarHBondContact ND1-OE1 2.84Å; H2-H126 AromaticContact ND1-CD2 3.87Å; H2-H126 AromaticContact ND1-NE2 3.27Å; H2-H126 PolarHBondContact ND1-NE2 3.49Å
3V91.7Very high90Very high12 Ų1262.9 Ų62.97%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-130.7138.7177.5174.30000107.5M1 V5 I15 L17 L123 Q124 V125 H126M1-V3 HydrophobicContact CE-CG2 3.84Å; M1-V3 HydrophobicContact CG-CG2 4.35Å; V3-V5 HydrophobicContact CG1-CG2 4.02Å; V3-I15 HydrophobicContact CG1-CB 4.16Å; V3-I15 HydrophobicContact CG1-CG1 4.21Å; V3-I15 HydrophobicContact CG1-CG2 3.62Å; V3-L17 HydrophobicContact CG2-CD2 3.61Å; V3-L123 HydrophobicContact CB-CD1 4.31Å; V3-L123 HydrophobicContact CG2-CD1 3.61Å; V3-Q124 PolarHBondContact N-O 3.44Å; V3-V125 HydrophobicContact CB-CG2 4.48Å; V3-V125 CarbonylContact O-C 3.58Å; V3-V125 WeakPolarHBondContact O-CA 3.4Å; V3-H126 PolarHBondContact O-N 2.77Å
4Y91.5Very high89.9Confident147 Ų14762.1 Ų62.158%0.57634%0.344SS*.EExtended strand (participates in β ladder)trans-113.8128.7178.9-64.9-87.7000108.5H2 H126 T128H2-Y4 HydrophobicContact CB-CE2 4.32Å; Y4-H126 WeakPolarHBondContact CA-O 3.35Å; Y4-H126 HydrophobicContact CD1-CB 3.56Å; Y4-H126 HydrophobicContact CE1-CB 3.65Å; Y4-H126 AromaticContact CE1-CG 3.87Å; Y4-H126 HydrophobicContact CG-CB 4.42Å; Y4-T128 HydrophobicContact CD1-CG2 3.86Å; Y4-T128 HydrophobicContact CG-CG2 4.34Å
5V91.9Very high90Very high3 Ų360.7 Ų60.72%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-128.5126.7-178.3-172.90000107.3V3 S9 I15 F42 V91 L95 V125 H126 V127 T128V3-V5 HydrophobicContact CG1-CG2 4.02Å; V5-S9 WeakPolarHBondContact CG1-OG 3.49Å; V5-I15 HydrophobicContact CB-CD1 4.28Å; V5-I15 HydrophobicContact CG1-CD1 4Å; V5-I15 HydrophobicContact CG2-CD1 3.3Å; V5-I15 HydrophobicContact CG2-CG1 3.89Å; V5-F42 HydrophobicContact CG2-CE1 4.33Å; V5-V91 HydrophobicContact CG1-CG2 4.05Å; V5-L95 HydrophobicContact CB-CD1 4.28Å; V5-L95 HydrophobicContact CG1-CD1 3.59Å; V5-V125 HydrophobicContact CB-CG1 4.43Å; V5-V125 HydrophobicContact CG2-CG1 3.58Å; V5-H126 PolarHBondContact N-O 2.82Å; V5-V127 CarbonylContact O-C 3.6Å; V5-V127 VanDerWaalsContact O-CA 3.26Å; V5-V127 WeakPolarHBondContact O-CA 3.38Å; V5-T128 PolarHBondContact O-N 2.79Å; V5-T128 PolarHBondContact O-OG1 2.92Å
6S89.8Confident89.9Confident35 Ų3565 Ų6525%0.24535%0.352CS..EExtended strand (participates in β ladder)trans-67.4138.3174.5-178.20000110S8 S9 T128S6-S8 PolarHBondContact O-N 3.08Å; S6-S8 PolarHBondContact OG-N 3.24Å; S6-S8 PolarHBondContact OG-OG 2.98Å; S6-S9 WeakPolarHBondContact O-CB 3.28Å; S6-S9 PolarHBondContact O-N 3.34Å; S6-S9 PolarHBondContact O-OG 2.82Å; S6-T128 VanDerWaalsContact CA-OG1 3.23Å; S6-T128 WeakPolarHBondContact CA-OG1 3.41Å
7E90.5Very high89.9Confident12 Ų1261.4 Ų61.46%0.05633%0.332CS..THydrogen-bonded Turntrans-52.9-34168.1-179173.1-158.700112.8S9 L95 D96 R97 V127 T128 F130E7-S9 PolarHBondContact O-N 3.05Å; E7-S9 VanDerWaalsContact O-N 3.12Å; E7-L95 WeakPolarHBondContact CG-O 3.38Å; E7-D96 WeakPolarHBondContact OE1-CA 3.17Å; E7-R97 HydrophobicContact CB-CB 4.44Å; E7-R97 VanDerWaalsContact CD-N 3.32Å; E7-R97 HydrophobicContact CG-CB 4.47Å; E7-R97 PolarHBondContact OE1-N 3.16Å; E7-R97 WeakPolarHBondContact OE2-CB 3.4Å; E7-V127 HydrophobicContact CB-CG1 3.86Å; E7-T128 PolarHBondContact N-O 3.33Å; E7-F130 HydrophobicContact CB-CB 4.03Å; E7-F130 PolarHBondContact OE2-N 2.9Å
8S87.4Confident89.6Confident61 Ų6164 Ų6443%0.42735%0.351SS..THydrogen-bonded Turntrans-722.1175.4690000115.2S6 L10S6-S8 PolarHBondContact O-N 3.08Å; S6-S8 PolarHBondContact OG-N 3.24Å; S6-S8 PolarHBondContact OG-OG 2.98Å; S8-L10 PolarHBondContact O-N 3.39Å
9S90.5Very high89.3Confident23 Ų2362.7 Ų62.716%0.16135%0.346CS..PPolyproline II helixtrans-62.1133.9178.9-56.80000110.5V5 S6 E7 D13V5-S9 WeakPolarHBondContact CG1-OG 3.49Å; S6-S9 WeakPolarHBondContact O-CB 3.28Å; S6-S9 PolarHBondContact O-N 3.34Å; S6-S9 PolarHBondContact O-OG 2.82Å; E7-S9 PolarHBondContact O-N 3.05Å; E7-S9 VanDerWaalsContact O-N 3.12Å; S9-D13 WeakPolarHBondContact CA-OD2 3.24Å
10L89.7Confident88.8Confident125 Ų12561.5 Ų61.565%0.65434%0.344SS*.PPolyproline II helixtrans-80.2154.2-179.6-63.3175.3000110.7S8 G12 D13S8-L10 PolarHBondContact O-N 3.39Å; L10-G12 PolarHBondContact O-N 2.9Å; L10-D13 PolarHBondContact N-OD2 3.11Å; L10-D13 VanDerWaalsContact O-CB 3.29Å; L10-D13 WeakPolarHBondContact O-CB 3.23Å; L10-D13 PolarHBondContact O-N 2.83Å
11I87.6Confident88.2Confident111 Ų11164.7 Ų64.757%0.56937%0.365SS*.THydrogen-bonded Turntrans-60.3122.6173.1-60.2172.3000108.8P94I11-P94 HydrophobicContact CD1-CG 4.36Å
12G87.4Confident87.5Confident47 Ų4763.5 Ų63.549%0.48536%0.36SS..THydrogen-bonded Turntrans104.1-13.2-173.800000114.4L10 S14 V91L10-G12 PolarHBondContact O-N 2.9Å; G12-S14 PolarHBondContact O-N 3.49Å; G12-V91 PolarHBondContact N-O 2.79Å
13D90.8Very high86.4Confident74 Ų7466.7 Ų66.740%0.39638%0.375SS..  trans-60.8136.4171.5-75.7-14.3000109.7S9 L10 I90 V91S9-D13 WeakPolarHBondContact CA-OD2 3.24Å; L10-D13 PolarHBondContact N-OD2 3.11Å; L10-D13 VanDerWaalsContact O-CB 3.29Å; L10-D13 WeakPolarHBondContact O-CB 3.23Å; L10-D13 PolarHBondContact O-N 2.83Å; D13-I90 WeakPolarHBondContact O-CA 3.14Å; D13-V91 PolarHBondContact O-N 2.63Å
14S89.2Confident85.2Confident52 Ų5271.3 Ų71.336%0.36440%0.4SS..EExtended strand (participates in β ladder)trans-126126.9-172.873.50000111G12 L89G12-S14 PolarHBondContact O-N 3.49Å; S14-L89 CarbonylContact C-O 3.49Å; S14-L89 WeakPolarHBondContact CA-O 3.29Å
15I90.6Very high83.2Confident41 Ų4168.2 Ų68.221%0.2140%0.396CS..EExtended strand (participates in β ladder)trans-94.2122.3171.8-53.398.3000109.5V3 V5 L17 R88 L89V3-I15 HydrophobicContact CG1-CB 4.16Å; V3-I15 HydrophobicContact CG1-CG1 4.21Å; V3-I15 HydrophobicContact CG1-CG2 3.62Å; V5-I15 HydrophobicContact CB-CD1 4.28Å; V5-I15 HydrophobicContact CG1-CD1 4Å; V5-I15 HydrophobicContact CG2-CD1 3.3Å; V5-I15 HydrophobicContact CG2-CG1 3.89Å; I15-L17 PolarHBondContact O-N 3.46Å; I15-R88 CarbonylContact O-C 3.52Å; I15-R88 VanDerWaalsContact O-CA 3.29Å; I15-R88 WeakPolarHBondContact O-CA 3.44Å; I15-L89 PolarHBondContact N-O 3.07Å; I15-L89 PolarHBondContact O-N 3.35Å
16Q89.5Confident81.8Confident129 Ų12970.7 Ų70.760%0.60342%0.422SS*.EExtended strand (participates in β ladder)trans-69.8122.9173.3-168.7172.912.100110.2L87Q16-L87 WeakPolarHBondContact CA-O 3.47Å
17L89.6Confident79.9Confident3 Ų374.6 Ų74.62%0.01645%0.449CS..EExtended strand (participates in β ladder)trans-98.4149.8175.4-57.8-177.7000110.3M1 V3 I15 P19 L44 L87 L89 L107 L123M1-L17 HydrophobicContact CE-CB 3.89Å; M1-L17 HydrophobicContact CE-CD2 3.51Å; M1-L17 HydrophobicContact CE-CG 4.29Å; M1-L17 HydrophobicContact SD-CD2 4.33Å; V3-L17 HydrophobicContact CG2-CD2 3.61Å; I15-L17 PolarHBondContact O-N 3.46Å; L17-P19 WeakPolarHBondContact O-CD 3.48Å; L17-L44 HydrophobicContact CD1-CD1 3.78Å; L17-L87 HydrophobicContact CB-CB 4.13Å; L17-L87 HydrophobicContact CB-CD2 3.75Å; L17-L87 HydrophobicContact CB-CG 3.85Å; L17-L87 HydrophobicContact CD1-CD2 3.95Å; L17-L87 HydrophobicContact CD1-CG 4.06Å; L17-L87 HydrophobicContact CG-CD2 4.48Å; L17-L87 HydrophobicContact CG-CG 4.42Å; L17-L87 PolarHBondContact N-O 2.81Å; L17-L89 HydrophobicContact CD1-CB 4.1Å; L17-L89 HydrophobicContact CD2-CB 4.43Å; L17-L89 HydrophobicContact CG-CB 4.27Å; L17-L107 HydrophobicContact CD1-CD2 4.41Å; L17-L123 HydrophobicContact CD1-CD2 4.02Å; L17-L123 HydrophobicContact CD2-CD1 4.29Å
18T84.7Confident78Confident109 Ų10976.5 Ų76.567%0.66946%0.46SS*.PPolyproline II helixtrans-66.5118.9173-46.50000109.3
19P82.8Confident76.8Confident40 Ų4076.6 Ų76.626%0.2646%0.456SS..PPolyproline II helixtrans-68.4150177.530.8-36.9000110.4L17 H85L17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-H85 HydrophobicContact CB-CB 3.99Å; P19-H85 WeakPolarHBondContact CB-O 3.22Å; P19-H85 VanDerWaalsContact CG-O 3.3Å; P19-H85 WeakPolarHBondContact CG-O 3.33Å
20A80.5Confident75.4Confident38 Ų3876.2 Ų76.231%0.31445%0.451SS..PPolyproline II helixtrans-65.3151167.900000110.6I30 Y33 A109A20-I30 HydrophobicContact CB-CD1 3.79Å; A20-I30 WeakPolarHBondContact O-CD1 3.39Å; A20-Y33 HydrophobicContact CB-CE1 3.89Å; A20-Y33 PolarHBondContact N-OH 3.3Å; A20-A109 HydrophobicContact CB-CB 3.59Å
21V75.7Confident74.4Confident128 Ų12876.8 Ų76.878%0.77645%0.453SS*.  trans-121.1123.1176.1178.90000108
22D73.5Confident74.1Confident34 Ų3476.8 Ų76.818%0.18245%0.448CS..  trans-95.6132.3168.7-173.6-4.4000108.5D24 T25 I30D22-D24 VanDerWaalsContact C-N 3.33Å; D22-D24 PolarHBondContact OD1-N 3.1Å; D22-T25 WeakPolarHBondContact O-CG2 3.42Å; D22-I30 HydrophobicContact CB-CD1 4.17Å; D22-I30 HydrophobicContact CB-CG1 4.03Å
23Q69.5Low74.2Confident176 Ų17674.8 Ų74.882%0.82243%0.426SS*.SBendtrans-78.6-21.1179.4-66.8-177.3-4.100111.9T25Q23-T25 PolarHBondContact O-N 3Å
24D66.2Low74Confident110 Ų11074 Ų7459%0.58842%0.421SS*.  trans-83.640.5-177.3-65.7-18.5000112.3D22 G26D22-D24 VanDerWaalsContact C-N 3.33Å; D22-D24 PolarHBondContact OD1-N 3.1Å; D24-G26 PolarHBondContact O-N 3.07Å
25T50.4Low74.1Confident82 Ų8271.5 Ų71.550%0.50340%0.403SS..THydrogen-bonded Turntrans-48.217.9-168.249.80000120.2D22 Q23D22-T25 WeakPolarHBondContact O-CG2 3.42Å; Q23-T25 PolarHBondContact O-N 3Å
26G62.7Low74.1Confident54 Ų5474.5 Ų74.556%0.55742%0.416SS*.THydrogen-bonded Turntrans-85.9-119.516900000113.7D24 N28 N29D24-G26 PolarHBondContact O-N 3.07Å; G26-N28 VanDerWaalsContact C-N 3.3Å; G26-N28 PolarHBondContact O-N 2.86Å; G26-N29 PolarHBondContact O-OD1 2.86Å
27S50Low74.2Confident117 Ų11771.8 Ų71.882%0.81841%0.41SS*.THydrogen-bonded Turntrans-78.1-4.6-175.842.10000115.3
28N50.7Low74.1Confident52 Ų5277.6 Ų77.628%0.27844%0.437SS..THydrogen-bonded Turntrans-93.310.2-174.3-68.5-8.1000114.3G26 I30 D111 G112G26-N28 VanDerWaalsContact C-N 3.3Å; G26-N28 PolarHBondContact O-N 2.86Å; N28-I30 PolarHBondContact O-N 3.44Å; N28-D111 WeakPolarHBondContact O-CB 3.17Å; N28-G112 PolarHBondContact O-N 3.4Å; N28-G112 VanDerWaalsContact O-N 3.16Å
29N61.7Low74.4Confident64 Ų6474.3 Ų74.334%0.34241%0.414SS..  trans-33.6137.4-178.4-77.1-15000114G26 M31 P83 G112G26-N29 PolarHBondContact O-OD1 2.86Å; N29-M31 WeakPolarHBondContact O-CG 3.3Å; N29-M31 PolarHBondContact O-N 3.38Å; N29-P83 HydrophobicContact CB-CG 4.17Å; N29-P83 VanDerWaalsContact OD1-CD 3.3Å; N29-P83 WeakPolarHBondContact OD1-CD 3.3Å; N29-P83 VanDerWaalsContact OD1-CG 3.29Å; N29-P83 WeakPolarHBondContact OD1-CG 3.47Å; N29-G112 PolarHBondContact O-N 2.9Å
30I61Low74.8Confident14 Ų1477.1 Ų77.17%0.07243%0.432CS..  trans-55.2115.9176.5-63159.1000108.9A20 D22 N28 Y33 H85 A109A20-I30 HydrophobicContact CB-CD1 3.79Å; A20-I30 WeakPolarHBondContact O-CD1 3.39Å; D22-I30 HydrophobicContact CB-CD1 4.17Å; D22-I30 HydrophobicContact CB-CG1 4.03Å; N28-I30 PolarHBondContact O-N 3.44Å; I30-Y33 HydrophobicContact CG2-CE1 4.14Å; I30-Y33 HydrophobicContact CG2-CE2 3.85Å; I30-H85 PolarHBondContact O-CE1 2.72Å; I30-H85 VanDerWaalsContact O-CE1 3.27Å; I30-H85 PolarHBondContact O-NE2 3.46Å; I30-A109 HydrophobicContact CG2-CB 4.32Å
31M68.6Low75.3Confident138 Ų13877 Ų7768%0.6843%0.425SS*.  trans-95.1-33.6-171.1-79.7-86.5-97.600112N29 I110N29-M31 WeakPolarHBondContact O-CG 3.3Å; N29-M31 PolarHBondContact O-N 3.38Å; M31-I110 PolarHBondContact N-O 3.25Å
32K81.4Confident76.2Confident110 Ų11071.1 Ų71.148%0.47839%0.389SS..EExtended strand (participates in β ladder)trans-147.4134.6-167.5-170.1172.1-179.2177.30112W46 I110K32-W46 HydrophobicContact CG-CH2 4.32Å; K32-W46 HydrophobicContact CG-CZ2 4.12Å; K32-I110 HydrophobicContact CB-CB 4.49Å; K32-I110 PolarHBondContact N-O 3.29Å; K32-I110 PolarHBondContact O-N 3.47Å
33Y88.5Confident77Confident5 Ų572.2 Ų72.22%0.0239%0.393CS..EExtended strand (participates in β ladder)trans-107.2148164.3-63.5-86.2000109.5A20 I30 W46 H85 L87 L107 T108 A109A20-Y33 HydrophobicContact CB-CE1 3.89Å; A20-Y33 PolarHBondContact N-OH 3.3Å; I30-Y33 HydrophobicContact CG2-CE1 4.14Å; I30-Y33 HydrophobicContact CG2-CE2 3.85Å; Y33-W46 HydrophobicContact CD2-CB 4.12Å; Y33-W46 AromaticContact CD2-CD1 3.92Å; Y33-W46 AromaticContact CD2-CD2 3.94Å; Y33-W46 HydrophobicContact CD2-CD2 3.94Å; Y33-W46 AromaticContact CD2-CG 3.72Å; Y33-W46 HydrophobicContact CD2-CG 3.72Å; Y33-W46 HydrophobicContact CE2-CG 4.39Å; Y33-W46 WeakPolarHBondContact O-CH2 3.34Å; Y33-W46 VanDerWaalsContact O-CZ3 3.27Å; Y33-W46 WeakPolarHBondContact O-CZ3 3.4Å; Y33-H85 HydrophobicContact CE2-CB 4.17Å; Y33-L87 HydrophobicContact CD1-CD1 4.27Å; Y33-L87 HydrophobicContact CD1-CD2 4.03Å; Y33-L87 HydrophobicContact CD2-CD1 3.9Å; Y33-L87 HydrophobicContact CE1-CD2 4.2Å; Y33-L87 HydrophobicContact CE2-CD1 4.46Å; Y33-L87 HydrophobicContact CG-CD1 3.78Å; Y33-L87 HydrophobicContact CG-CD2 4.38Å; Y33-L107 HydrophobicContact CD1-CD1 4.45Å; Y33-T108 CarbonylContact C-O 3.59Å; Y33-T108 WeakPolarHBondContact CA-O 3.41Å; Y33-A109 HydrophobicContact CD1-CB 3.82Å; Y33-A109 HydrophobicContact CE1-CB 3.65Å
34M88.5Confident78.1Confident57 Ų5764.7 Ų64.728%0.28136%0.358SS..EExtended strand (participates in β ladder)trans-144.8140.2178.5-171.517272.900109.7E36 L107 T108M34-E36 HydrophobicContact CE-CG 4.22Å; M34-E36 WeakPolarHBondContact CE-OE1 3.29Å; M34-E36 HydrophobicContact CG-CG 4.41Å; M34-L107 CarbonylContact O-C 3.57Å; M34-L107 WeakPolarHBondContact O-CA 3.44Å; M34-T108 PolarHBondContact N-O 2.93Å; M34-T108 PolarHBondContact O-N 3.35Å
35I90.3Very high79.2Confident1 Ų163.4 Ų63.41%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-114.2136.8171.850168000109.8Q38 L44 L89 F105 N106 L107I35-Q38 PolarHBondContact O-NE2 3Å; I35-L44 HydrophobicContact CD1-CB 3.87Å; I35-L44 HydrophobicContact CG1-CB 3.97Å; I35-L44 HydrophobicContact CG2-CB 4.47Å; I35-L44 HydrophobicContact CG2-CD1 4.23Å; I35-L44 HydrophobicContact CG2-CD2 4.01Å; I35-L44 HydrophobicContact CG2-CG 4.48Å; I35-L89 HydrophobicContact CD1-CD1 4.17Å; I35-F105 HydrophobicContact CB-CB 4.38Å; I35-F105 HydrophobicContact CB-CD1 3.97Å; I35-F105 HydrophobicContact CD1-CD1 3.99Å; I35-F105 HydrophobicContact CD1-CE1 3.87Å; I35-F105 HydrophobicContact CG1-CD1 4.45Å; I35-F105 HydrophobicContact CG2-CB 4.37Å; I35-F105 HydrophobicContact CG2-CD1 4.49Å; I35-N106 WeakPolarHBondContact CA-O 3.21Å; I35-L107 HydrophobicContact CG2-CB 4.31Å; I35-L107 HydrophobicContact CG2-CD1 3.74Å
36E90.3Very high80.8Confident103 Ų10363.9 Ų63.948%0.48134%0.341SS..EExtended strand (participates in β ladder)trans-141.3138.9174-68.5-176.5166.500110.6M34 F105 N106M34-E36 HydrophobicContact CE-CG 4.22Å; M34-E36 WeakPolarHBondContact CE-OE1 3.29Å; M34-E36 HydrophobicContact CG-CG 4.41Å; E36-F105 CarbonylContact O-C 3.58Å; E36-N106 PolarHBondContact N-O 2.72Å; E36-N106 PolarHBondContact O-N 3.18Å
37P91.2Very high81.4Confident72 Ų7265.2 Ų65.247%0.46834%0.339SS..SBendcis-69165.5-6.532-36000112.2F39 F105P37-F39 HydrophobicContact CG-CE1 4.38Å; P37-F39 HydrophobicContact CG-CE2 3.81Å; P37-F39 HydrophobicContact CG-CZ 3.7Å; P37-F105 WeakPolarHBondContact O-CD1 3.47Å
38Q87.8Confident82.2Confident126 Ų12662.7 Ų62.759%0.58932%0.321SS*.  trans-82.7127.3173.5-67.1-72.1-33.900109.3I35I35-Q38 PolarHBondContact O-NE2 3Å
39F91.9Very high82.6Confident40 Ų4065 Ų6518%0.17533%0.333CS..  trans-111.4126.9173-71.3-61.6000108.4P37 E41 F42 Y103 F105P37-F39 HydrophobicContact CG-CE1 4.38Å; P37-F39 HydrophobicContact CG-CE2 3.81Å; P37-F39 HydrophobicContact CG-CZ 3.7Å; F39-E41 WeakPolarHBondContact CB-OE2 3.41Å; F39-E41 PolarHBondContact O-N 2.76Å; F39-F42 PolarHBondContact O-N 3.24Å; F39-Y103 HydrophobicContact CB-CD1 3.98Å; F39-Y103 HydrophobicContact CB-CE1 4.22Å; F39-Y103 AromaticContact CD1-CD1 3.98Å; F39-Y103 HydrophobicContact CD1-CD1 3.98Å; F39-Y103 HydrophobicContact CD1-CE1 4.24Å; F39-Y103 AromaticContact CD2-CD1 3.66Å; F39-Y103 HydrophobicContact CD2-CD1 3.66Å; F39-Y103 HydrophobicContact CD2-CG 4.45Å; F39-Y103 HydrophobicContact CE1-CD1 4.41Å; F39-Y103 HydrophobicContact CE2-CD1 4.09Å; F39-Y103 AromaticContact CG-CD1 3.6Å; F39-Y103 HydrophobicContact CG-CD1 3.6Å; F39-Y103 HydrophobicContact CG-CE1 4.12Å; F39-Y103 HydrophobicContact CZ-CD1 4.45Å; F39-F105 HydrophobicContact CB-CE1 4.14Å; F39-F105 HydrophobicContact CB-CZ 4.2Å; F39-F105 AromaticContact CD2-CD1 3.94Å; F39-F105 HydrophobicContact CD2-CD1 3.94Å; F39-F105 AromaticContact CD2-CE1 3.4Å; F39-F105 HydrophobicContact CD2-CE1 3.4Å; F39-F105 HydrophobicContact CD2-CE2 4.14Å; F39-F105 AromaticContact CD2-CZ 3.51Å; F39-F105 HydrophobicContact CD2-CZ 3.51Å; F39-F105 HydrophobicContact CE2-CD1 4.42Å; F39-F105 HydrophobicContact CE2-CE1 4.27Å; F39-F105 HydrophobicContact CE2-CZ 4.38Å; F39-F105 HydrophobicContact CG-CE1 4.23Å; F39-F105 HydrophobicContact CG-CZ 4.33Å
40P90.3Very high82.1Confident99 Ų9966.6 Ų66.664%0.64334%0.342SS*.THydrogen-bonded Turntrans-60.1-18.2-176.225.2-35.2000114F42 R92 S93P40-F42 VanDerWaalsContact C-N 3.33Å; P40-R92 WeakPolarHBondContact O-CB 3.44Å; P40-S93 PolarHBondContact O-OG 3.42Å; P40-S93 VanDerWaalsContact O-OG 3.1Å
41E92Very high81.4Confident36 Ų3676.3 Ų76.317%0.16838%0.377CS..THydrogen-bonded Turntrans-74.6-21.7177.2-54.793144.700113F39 V91 R92 L95 Y103F39-E41 WeakPolarHBondContact CB-OE2 3.41Å; F39-E41 PolarHBondContact O-N 2.76Å; E41-V91 CarbonylContact O-C 3.59Å; E41-V91 WeakPolarHBondContact O-CA 3.38Å; E41-R92 PolarHBondContact O-N 3.47Å; E41-L95 HydrophobicContact CB-CD2 3.71Å; E41-L95 HydrophobicContact CG-CD2 4.19Å; E41-Y103 HydrophobicContact CG-CE1 4.32Å; E41-Y103 WeakPolarHBondContact OE1-CE1 3.12Å; E41-Y103 PolarHBondContact OE1-OH 2.89Å
42F93.2Very high79.8Confident4 Ų476.8 Ų76.82%0.01838%0.382CS..EExtended strand (participates in β ladder)trans-132.1137.7-175-64.8-77.8000112.9V5 F39 P40 L89 I90 V91 L95 Y103 F105 V125V5-F42 HydrophobicContact CG2-CE1 4.33Å; F39-F42 PolarHBondContact O-N 3.24Å; P40-F42 VanDerWaalsContact C-N 3.33Å; F42-L89 HydrophobicContact CB-CD1 3.98Å; F42-L89 HydrophobicContact CB-CD2 4.41Å; F42-L89 HydrophobicContact CB-CG 4.17Å; F42-L89 HydrophobicContact CD1-CD2 3.67Å; F42-L89 HydrophobicContact CD1-CG 3.83Å; F42-L89 HydrophobicContact CE1-CD2 4.16Å; F42-L89 HydrophobicContact CG-CD2 4.14Å; F42-L89 HydrophobicContact CG-CG 4.31Å; F42-I90 CarbonylContact C-O 3.54Å; F42-I90 WeakPolarHBondContact CA-O 3.33Å; F42-V91 HydrophobicContact CD1-CG2 4.39Å; F42-V91 HydrophobicContact CE1-CG2 3.99Å; F42-L95 HydrophobicContact CE1-CD1 4.26Å; F42-L95 HydrophobicContact CE1-CD2 4.42Å; F42-L95 HydrophobicContact CE2-CD2 3.78Å; F42-L95 HydrophobicContact CZ-CD1 3.85Å; F42-L95 HydrophobicContact CZ-CD2 3.62Å; F42-L95 HydrophobicContact CZ-CG 4.4Å; F42-Y103 HydrophobicContact CD2-CD1 4.34Å; F42-Y103 HydrophobicContact CD2-CG 4.38Å; F42-Y103 HydrophobicContact CE2-CD1 4.17Å; F42-Y103 AromaticContact CE2-CD2 3.84Å; F42-Y103 HydrophobicContact CE2-CD2 3.84Å; F42-Y103 HydrophobicContact CE2-CE1 4.39Å; F42-Y103 HydrophobicContact CE2-CE2 4.11Å; F42-Y103 AromaticContact CE2-CG 3.88Å; F42-Y103 HydrophobicContact CE2-CG 3.88Å; F42-F105 HydrophobicContact CB-CE1 4.43Å; F42-F105 HydrophobicContact CB-CZ 3.9Å; F42-F105 HydrophobicContact CD2-CE2 4.33Å; F42-F105 AromaticContact CD2-CZ 3.76Å; F42-F105 HydrophobicContact CD2-CZ 3.76Å; F42-F105 HydrophobicContact CG-CZ 4.06Å; F42-V125 HydrophobicContact CE1-CG1 4.09Å; F42-V125 HydrophobicContact CE2-CG1 4.25Å; F42-V125 HydrophobicContact CZ-CG1 3.7Å
43Q91.5Very high77.8Confident56 Ų5676.2 Ų76.226%0.26240%0.398SS..EExtended strand (participates in β ladder)trans-123.9133.7171-176.3-165.6-21.500110.1E45 I90 R92Q43-E45 HydrophobicContact CG-CG 4.43Å; Q43-E45 PolarHBondContact NE2-OE1 2.72Å; Q43-I90 PolarHBondContact N-O 3.35Å; Q43-I90 PolarHBondContact O-N 3.05Å; Q43-R92 HydrophobicContact CB-CG 3.83Å
44L92Very high75.3Confident18 Ų1881.9 Ų81.99%0.09443%0.434CS..EExtended strand (participates in β ladder)trans-84.2126.9171.7-165.875.4000110.3L17 I35 W46 L87 L89 L107L17-L44 HydrophobicContact CD1-CD1 3.78Å; I35-L44 HydrophobicContact CD1-CB 3.87Å; I35-L44 HydrophobicContact CG1-CB 3.97Å; I35-L44 HydrophobicContact CG2-CB 4.47Å; I35-L44 HydrophobicContact CG2-CD1 4.23Å; I35-L44 HydrophobicContact CG2-CD2 4.01Å; I35-L44 HydrophobicContact CG2-CG 4.48Å; L44-W46 HydrophobicContact CD2-CE3 4.09Å; L44-W46 HydrophobicContact CD2-CZ3 4.06Å; L44-W46 HydrophobicContact CG-CE3 4.22Å; L44-W46 HydrophobicContact CG-CZ3 4.44Å; L44-L87 HydrophobicContact CD1-CD1 3.7Å; L44-L87 HydrophobicContact CD1-CG 4.1Å; L44-L87 HydrophobicContact CD2-CD1 4.01Å; L44-L87 HydrophobicContact CG-CD1 3.82Å; L44-L89 HydrophobicContact CD1-CD1 4.2Å; L44-L107 HydrophobicContact CD1-CD1 4.38Å; L44-L107 HydrophobicContact CD2-CD1 3.86Å
45E88.6Confident72.5Confident84 Ų8487.2 Ų87.239%0.39346%0.46SS..EExtended strand (participates in β ladder)trans-125145.2170-66.2-165.4175.500109.9Q43 R88 I90Q43-E45 HydrophobicContact CG-CG 4.43Å; Q43-E45 PolarHBondContact NE2-OE1 2.72Å; E45-R88 PolarHBondContact N-O 3.47Å; E45-R88 PolarHBondContact O-N 2.75Å; E45-I90 HydrophobicContact CB-CD1 3.89Å; E45-I90 HydrophobicContact CB-CG1 4.43Å; E45-I90 HydrophobicContact CG-CD1 3.58Å; E45-I90 HydrophobicContact CG-CG1 4.29Å; E45-I90 WeakPolarHBondContact OE2-CD1 3.38Å
46W83.8Confident69.7Low92 Ų9291.4 Ų91.435%0.34850%0.495SS..EExtended strand (participates in β ladder)trans-142.8147173.863.695.8000111.7K32 Y33 L44 E86 L87K32-W46 HydrophobicContact CG-CH2 4.32Å; K32-W46 HydrophobicContact CG-CZ2 4.12Å; Y33-W46 HydrophobicContact CD2-CB 4.12Å; Y33-W46 AromaticContact CD2-CD1 3.92Å; Y33-W46 AromaticContact CD2-CD2 3.94Å; Y33-W46 HydrophobicContact CD2-CD2 3.94Å; Y33-W46 AromaticContact CD2-CG 3.72Å; Y33-W46 HydrophobicContact CD2-CG 3.72Å; Y33-W46 HydrophobicContact CE2-CG 4.39Å; Y33-W46 WeakPolarHBondContact O-CH2 3.34Å; Y33-W46 VanDerWaalsContact O-CZ3 3.27Å; Y33-W46 WeakPolarHBondContact O-CZ3 3.4Å; L44-W46 HydrophobicContact CD2-CE3 4.09Å; L44-W46 HydrophobicContact CD2-CZ3 4.06Å; L44-W46 HydrophobicContact CG-CE3 4.22Å; L44-W46 HydrophobicContact CG-CZ3 4.44Å; W46-E86 CarbonylContact C-O 3.51Å; W46-E86 WeakPolarHBondContact CA-O 3.3Å; W46-L87 HydrophobicContact CB-CD1 3.7Å; W46-L87 HydrophobicContact CE3-CD1 4.45Å; W46-L87 HydrophobicContact CG-CD1 4.46Å
47T76.3Confident67Low82 Ų8293.9 Ų93.950%0.50351%0.511SS..EExtended strand (participates in β ladder)trans-127.9147.9174.763.90000110.2H85 E86T47-H85 CarbonylContact O-C 3.59Å; T47-H85 WeakPolarHBondContact O-CA 3.47Å; T47-E86 PolarHBondContact N-O 2.86Å; T47-E86 PolarHBondContact O-N 3.14Å
48S67Low64.3Low64 Ų6496.4 Ų96.445%0.44852%0.519SS..EExtended strand (participates in β ladder)trans-93.6122.4175.3-171.30000108.7D50S48-D50 VanDerWaalsContact C-N 3.26Å; S48-D50 PolarHBondContact O-N 3.35Å
49L58.7Low61.5Low101 Ų10199.6 Ų99.653%0.52953%0.534SS..  trans-79.7-3.2-178.1-74.5142.8000113.7R51 R84 E86L49-R51 PolarHBondContact O-N 2.8Å; L49-R84 HydrophobicContact CB-CB 4.22Å; L49-R84 WeakPolarHBondContact CB-O 3.43Å; L49-R84 HydrophobicContact CD1-CB 3.99Å; L49-R84 WeakPolarHBondContact CD1-O 3.25Å; L49-R84 PolarHBondContact N-O 3.25Å; L49-E86 HydrophobicContact CD1-CB 3.97Å
50D52.4Low58.9Low97 Ų97102 Ų10252%0.51955%0.552SS.*  trans-91.772.6173-77.4-25.6000111.5S48 P83S48-D50 VanDerWaalsContact C-N 3.26Å; S48-D50 PolarHBondContact O-N 3.35Å; D50-P83 WeakPolarHBondContact OD2-CA 3.48Å
51R45Very low56Low218 Ų218103 Ų10382%0.82356%0.561SS**  trans-137.8109149.1-74.8-165.3-170.8-170.84.1109.3L49L49-R51 PolarHBondContact O-N 2.8Å
52D36Very low53Low147 Ų147103.3 Ų103.379%0.78658%0.575SS**  trans-47.9142165.9-90.5-38.6000111.4T54D52-T54 VanDerWaalsContact C-N 3.34Å; D52-T54 PolarHBondContact O-N 2.59Å
53A39.5Very low50Low98 Ų98111.3 Ų111.381%0.8162%0.618SS**SBendtrans-64.776.3-171.300000114
54T35.8Very low47Very low125 Ų125115.6 Ų115.677%0.76764%0.641SS**  trans-156.579.615352.70000109.1D52D52-T54 VanDerWaalsContact C-N 3.34Å; D52-T54 PolarHBondContact O-N 2.59Å
55M29.5Very low44Very low168 Ų168123.2 Ų123.283%0.82868%0.676SS**  trans173.187147-95.217196.300108.1
56A31.6Very low41.3Very low89 Ų89125.1 Ų125.174%0.73670%0.698SS**  trans-54.5142.9157.600000109.4
57N32.8Very low38.7Very low156 Ų156125.3 Ų125.383%0.83471%0.714SS**  trans77.669.8165.8-54-15000117.6
58I35Very low36.3Very low124 Ų124129 Ų12964%0.63673%0.73SS**  trans-139.8101.3140-52.9-179.8000108.1V60I58-V60 VanDerWaalsContact C-N 3.32Å; I58-V60 HydrophobicContact CB-CG2 4.24Å; I58-V60 HydrophobicContact CG2-CG2 3.54Å; I58-V60 PolarHBondContact O-N 3.17Å
59Q29.9Very low34.5Very low193 Ų193133.6 Ų133.690%0.90275%0.748SS**  trans-63.796.1158.8-77.9176.7-51.900107S61Q59-S61 PolarHBondContact O-N 3.03Å
60V35.5Very low33.1Very low91 Ų91137.6 Ų137.655%0.55276%0.764SS**  trans-82.277.2173.1-174.30000107.8I58 I64I58-V60 VanDerWaalsContact C-N 3.32Å; I58-V60 HydrophobicContact CB-CG2 4.24Å; I58-V60 HydrophobicContact CG2-CG2 3.54Å; I58-V60 PolarHBondContact O-N 3.17Å; V60-I64 HydrophobicContact CG1-CD1 4.42Å
61S31.1Very low31.9Very low119 Ų119138.2 Ų138.283%0.83278%0.776SS**  trans-82.991.6145.762.90000105.4Q59Q59-S61 PolarHBondContact O-N 3.03Å
62G29.1Very low31Very low44 Ų44138.8 Ų138.845%0.45478%0.78SS.*  trans-160.6104.4-167.400000113.9I64G62-I64 VanDerWaalsContact C-N 3.32Å; G62-I64 PolarHBondContact O-N 3.28Å
63D29.6Very low30.9Very low172 Ų172137 Ų13792%0.9278%0.779SS**  trans-53.595.7148.2-71.5-43.7000108.8
64I28Very low30.4Very low145 Ų145139.3 Ų139.374%0.74478%0.778SS**  trans-93.1110.1169.8-62.1175.8000107.1V60 G62V60-I64 HydrophobicContact CG1-CD1 4.42Å; G62-I64 VanDerWaalsContact C-N 3.32Å; G62-I64 PolarHBondContact O-N 3.28Å
65Q28.5Very low30.2Very low179 Ų179141.6 Ų141.684%0.83678%0.78SS**  trans-67.6135.4171.4-70.1-147.2-22.700110.8S67Q65-S67 PolarHBondContact O-N 3.18Å
66S32.2Very low30.1Very low123 Ų123142.3 Ų142.386%0.8678%0.778SS**SBendtrans-73.582-174.760.20000112.3
67S29Very low30Very low96 Ų96144.7 Ų144.767%0.67178%0.777SS**  trans-168.491.7152.955.80000107.7Q65Q65-S67 PolarHBondContact O-N 3.18Å
68D26Very low29.8Very low159 Ų159147.5 Ų147.585%0.8578%0.776SS**  trans169.764.1147.6-84.4-16.7000110.3
69I30.1Very low29.9Very low162 Ų162146.5 Ų146.583%0.83178%0.781SS**  trans-142.691.2154-53.7-178.9000107.7
70Q27.8Very low30.6Very low184 Ų184143 Ų14386%0.8678%0.775SS**  trans-85135.1167.3-81.7-170.7-9.900110.8
71S28.6Very low31.1Very low111 Ų111143.4 Ų143.478%0.77678%0.779SS**  trans56101.6153.762.20000118.8
72Y26.4Very low31.7Very low229 Ų229139 Ų13990%0.89875%0.752SS**  trans-102.5137.2153.8-104.3-96.7000109.6
73S32.8Very low32.8Very low110 Ų110138.1 Ų138.177%0.76974%0.739SS**  trans-169.2145.6153.162.40000107.2
74D29.6Very low34.3Very low146 Ų146138.6 Ų138.678%0.78173%0.728SS**  cis-170.2117.7-15.3-131.4-17.6000105.2
75H30.1Very low36.3Very low174 Ų174132.6 Ų132.681%0.80670%0.696SS**  trans165.6138149-101.251.7000113.3
76F28.8Very low38.8Very low182 Ų182125.7 Ų125.780%0.79866%0.664SS**  trans111.4113.7164.5-72.6-86000118.8
77I29.2Very low41.5Very low140 Ų140119.9 Ų119.972%0.71862%0.623SS**  trans49.6118.4139.5-42.8168000120
78R29.2Very low44.4Very low214 Ų214119.9 Ų119.981%0.80861%0.609SS**  164.7142120.3-89.6178.4-159.4-1130.3113.8
79S36Very low47.5Very low104 Ų104112.3 Ų112.373%0.72757%0.568SS**  trans6.8149.8157.548.80000123.9
80P44.6Very low50.5Low120 Ų120105.6 Ų105.678%0.77953%0.534SS*.  trans-74162.6159.836.6-33000109.8
81P45.3Very low53.6Low98 Ų9896.9 Ų96.964%0.63649%0.493SS*.  cis-129.8175.823.436.7-16.9000114.3
82G45.4Very low56.6Low27 Ų2798.3 Ų98.328%0.27848%0.481SS..  trans-56.5162.8-178.700000115.5R84G82-R84 PolarHBondContact O-N 3.44Å
83P51.6Low59.6Low26 Ų2689.2 Ų89.217%0.16945%0.452CS..  trans-60.9118.6-163.527.7-38.7000111.9N29 D50 H85N29-P83 HydrophobicContact CB-CG 4.17Å; N29-P83 VanDerWaalsContact OD1-CD 3.3Å; N29-P83 WeakPolarHBondContact OD1-CD 3.3Å; N29-P83 VanDerWaalsContact OD1-CG 3.29Å; N29-P83 WeakPolarHBondContact OD1-CG 3.47Å; D50-P83 WeakPolarHBondContact OD2-CA 3.48Å; P83-H85 PolarHBondContact O-N 2.87Å
84R60.1Low62.3Low182 Ų18288.8 Ų88.869%0.68745%0.446SS*.  trans-76.7106.7166.7-75-179.7169.7169-3107.8L49 G82L49-R84 HydrophobicContact CB-CB 4.22Å; L49-R84 WeakPolarHBondContact CB-O 3.43Å; L49-R84 HydrophobicContact CD1-CB 3.99Å; L49-R84 WeakPolarHBondContact CD1-O 3.25Å; L49-R84 PolarHBondContact N-O 3.25Å; G82-R84 PolarHBondContact O-N 3.44Å
85H71.9Confident65.2Low18 Ų1882.3 Ų82.38%0.08341%0.411CS..EExtended strand (participates in β ladder)trans-84.1138.9167-69.789.7000109.4P19 I30 Y33 T47 P83P19-H85 HydrophobicContact CB-CB 3.99Å; P19-H85 WeakPolarHBondContact CB-O 3.22Å; P19-H85 VanDerWaalsContact CG-O 3.3Å; P19-H85 WeakPolarHBondContact CG-O 3.33Å; I30-H85 PolarHBondContact O-CE1 2.72Å; I30-H85 VanDerWaalsContact O-CE1 3.27Å; I30-H85 PolarHBondContact O-NE2 3.46Å; Y33-H85 HydrophobicContact CE2-CB 4.17Å; T47-H85 CarbonylContact O-C 3.59Å; T47-H85 WeakPolarHBondContact O-CA 3.47Å; P83-H85 PolarHBondContact O-N 2.87Å
86E80Confident68.1Low35 Ų3577.1 Ų77.116%0.16439%0.39CS..EExtended strand (participates in β ladder)trans-98.2106.2164.1-168.6175-167.600108.3W46 T47 L49 R88W46-E86 CarbonylContact C-O 3.51Å; W46-E86 WeakPolarHBondContact CA-O 3.3Å; T47-E86 PolarHBondContact N-O 2.86Å; T47-E86 PolarHBondContact O-N 3.14Å; L49-E86 HydrophobicContact CD1-CB 3.97Å; E86-R88 HydrophobicContact CG-CG 4.23Å; E86-R88 IonicContact OE1-CZ 3.96Å; E86-R88 IonicContact OE1-NE 3.91Å; E86-R88 PolarHBondContact OE1-NE 3.11Å; E86-R88 IonicContact OE1-NH2 3.57Å; E86-R88 PolarHBondContact OE1-NH2 2.86Å; E86-R88 IonicContact OE2-CZ 2.89Å; E86-R88 IonicContact OE2-NE 2.86Å; E86-R88 IonicContact OE2-NH2 3.21Å; E86-R88 PolarHBondContact OE2-NH2 3.04Å
87L88.2Confident71.2Confident0 Ų070.1 Ų70.10%036%0.358CS..EExtended strand (participates in β ladder)trans-96.4129.4177.2-174.165.4000108.6Q16 L17 Y33 L44 W46 L107Q16-L87 WeakPolarHBondContact CA-O 3.47Å; L17-L87 HydrophobicContact CB-CB 4.13Å; L17-L87 HydrophobicContact CB-CD2 3.75Å; L17-L87 HydrophobicContact CB-CG 3.85Å; L17-L87 HydrophobicContact CD1-CD2 3.95Å; L17-L87 HydrophobicContact CD1-CG 4.06Å; L17-L87 HydrophobicContact CG-CD2 4.48Å; L17-L87 HydrophobicContact CG-CG 4.42Å; L17-L87 PolarHBondContact N-O 2.81Å; Y33-L87 HydrophobicContact CD1-CD1 4.27Å; Y33-L87 HydrophobicContact CD1-CD2 4.03Å; Y33-L87 HydrophobicContact CD2-CD1 3.9Å; Y33-L87 HydrophobicContact CE1-CD2 4.2Å; Y33-L87 HydrophobicContact CE2-CD1 4.46Å; Y33-L87 HydrophobicContact CG-CD1 3.78Å; Y33-L87 HydrophobicContact CG-CD2 4.38Å; L44-L87 HydrophobicContact CD1-CD1 3.7Å; L44-L87 HydrophobicContact CD1-CG 4.1Å; L44-L87 HydrophobicContact CD2-CD1 4.01Å; L44-L87 HydrophobicContact CG-CD1 3.82Å; W46-L87 HydrophobicContact CB-CD1 3.7Å; W46-L87 HydrophobicContact CE3-CD1 4.45Å; W46-L87 HydrophobicContact CG-CD1 4.46Å; L87-L107 HydrophobicContact CD2-CD1 4.35Å; L87-L107 HydrophobicContact CD2-CD2 3.94Å
88R90.5Very high74.2Confident96 Ų9665.9 Ų65.936%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-132.6135.3-179.2-64.2-175.9-177.5177.96.6110.7I15 E45 E86I15-R88 CarbonylContact O-C 3.52Å; I15-R88 VanDerWaalsContact O-CA 3.29Å; I15-R88 WeakPolarHBondContact O-CA 3.44Å; E45-R88 PolarHBondContact N-O 3.47Å; E45-R88 PolarHBondContact O-N 2.75Å; E86-R88 HydrophobicContact CG-CG 4.23Å; E86-R88 IonicContact OE1-CZ 3.96Å; E86-R88 IonicContact OE1-NE 3.91Å; E86-R88 PolarHBondContact OE1-NE 3.11Å; E86-R88 IonicContact OE1-NH2 3.57Å; E86-R88 PolarHBondContact OE1-NH2 2.86Å; E86-R88 IonicContact OE2-CZ 2.89Å; E86-R88 IonicContact OE2-NE 2.86Å; E86-R88 IonicContact OE2-NH2 3.21Å; E86-R88 PolarHBondContact OE2-NH2 3.04Å
89L91.9Very high77.1Confident0 Ų060.9 Ų60.90%033%0.329CS..EExtended strand (participates in β ladder)trans-98.5117.6167.6-16971.8000108.1S14 I15 L17 I35 F42 L44 L123 V125S14-L89 CarbonylContact C-O 3.49Å; S14-L89 WeakPolarHBondContact CA-O 3.29Å; I15-L89 PolarHBondContact N-O 3.07Å; I15-L89 PolarHBondContact O-N 3.35Å; L17-L89 HydrophobicContact CD1-CB 4.1Å; L17-L89 HydrophobicContact CD2-CB 4.43Å; L17-L89 HydrophobicContact CG-CB 4.27Å; I35-L89 HydrophobicContact CD1-CD1 4.17Å; F42-L89 HydrophobicContact CB-CD1 3.98Å; F42-L89 HydrophobicContact CB-CD2 4.41Å; F42-L89 HydrophobicContact CB-CG 4.17Å; F42-L89 HydrophobicContact CD1-CD2 3.67Å; F42-L89 HydrophobicContact CD1-CG 3.83Å; F42-L89 HydrophobicContact CE1-CD2 4.16Å; F42-L89 HydrophobicContact CG-CD2 4.14Å; F42-L89 HydrophobicContact CG-CG 4.31Å; L44-L89 HydrophobicContact CD1-CD1 4.2Å; L89-L123 HydrophobicContact CD2-CD2 4.47Å; L89-V125 HydrophobicContact CD2-CG1 4.48Å; L89-V125 HydrophobicContact CD2-CG2 3.66Å
90I91.9Very high79.8Confident21 Ų2159.1 Ų59.111%0.10831%0.308CS..EExtended strand (participates in β ladder)trans-103.2132.2-174.5-54.2-171.9000109.9D13 F42 Q43 E45 R92D13-I90 WeakPolarHBondContact O-CA 3.14Å; F42-I90 CarbonylContact C-O 3.54Å; F42-I90 WeakPolarHBondContact CA-O 3.33Å; Q43-I90 PolarHBondContact N-O 3.35Å; Q43-I90 PolarHBondContact O-N 3.05Å; E45-I90 HydrophobicContact CB-CD1 3.89Å; E45-I90 HydrophobicContact CB-CG1 4.43Å; E45-I90 HydrophobicContact CG-CD1 3.58Å; E45-I90 HydrophobicContact CG-CG1 4.29Å; E45-I90 WeakPolarHBondContact OE2-CD1 3.38Å; I90-R92 PolarHBondContact O-N 3.4Å
91V93.3Very high82.1Confident1 Ų156.2 Ų56.21%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-74.1119.7172.2-1780000109.2V5 G12 D13 E41 F42 S93 L95V5-V91 HydrophobicContact CG1-CG2 4.05Å; G12-V91 PolarHBondContact N-O 2.79Å; D13-V91 PolarHBondContact O-N 2.63Å; E41-V91 CarbonylContact O-C 3.59Å; E41-V91 WeakPolarHBondContact O-CA 3.38Å; F42-V91 HydrophobicContact CD1-CG2 4.39Å; F42-V91 HydrophobicContact CE1-CG2 3.99Å; V91-S93 VanDerWaalsContact CG1-O 3.22Å; V91-S93 WeakPolarHBondContact CG1-O 3.5Å; V91-L95 HydrophobicContact CG1-CD1 4.29Å; V91-L95 HydrophobicContact CG1-CG 4.18Å; V91-L95 HydrophobicContact CG2-CD1 4.31Å
92R91.3Very high84.4Confident141 Ų14154.4 Ų54.453%0.53228%0.275SS..  trans-107.7-22.5-175.8-94.6-78.5-175.9149.10.4113.9P40 E41 Q43 I90P40-R92 WeakPolarHBondContact O-CB 3.44Å; E41-R92 PolarHBondContact O-N 3.47Å; Q43-R92 HydrophobicContact CB-CG 3.83Å; I90-R92 PolarHBondContact O-N 3.4Å
93S89.9Confident86.7Confident39 Ų3953.4 Ų53.427%0.27326%0.263SS..SBendtrans-134.1156.4177.2-53.90000109.1P40 V91 L95P40-S93 PolarHBondContact O-OG 3.42Å; P40-S93 VanDerWaalsContact O-OG 3.1Å; V91-S93 VanDerWaalsContact CG1-O 3.22Å; V91-S93 WeakPolarHBondContact CG1-O 3.5Å; S93-L95 PolarHBondContact O-N 3.37Å
94P89.4Confident88.7Confident100 Ų10056.7 Ų56.765%0.64928%0.276SS*.  trans-54.9137.7172.9-19.431.8000110.1I11I11-P94 HydrophobicContact CD1-CG 4.36Å
95L91.3Very high90.3Very high10 Ų1048.1 Ų48.15%0.05224%0.243CC..  trans-91.8145.6173.6-62.1174.1000108.2V5 E7 E41 F42 V91 S93 V127V5-L95 HydrophobicContact CB-CD1 4.28Å; V5-L95 HydrophobicContact CG1-CD1 3.59Å; E7-L95 WeakPolarHBondContact CG-O 3.38Å; E41-L95 HydrophobicContact CB-CD2 3.71Å; E41-L95 HydrophobicContact CG-CD2 4.19Å; F42-L95 HydrophobicContact CE1-CD1 4.26Å; F42-L95 HydrophobicContact CE1-CD2 4.42Å; F42-L95 HydrophobicContact CE2-CD2 3.78Å; F42-L95 HydrophobicContact CZ-CD1 3.85Å; F42-L95 HydrophobicContact CZ-CD2 3.62Å; F42-L95 HydrophobicContact CZ-CG 4.4Å; V91-L95 HydrophobicContact CG1-CD1 4.29Å; V91-L95 HydrophobicContact CG1-CG 4.18Å; V91-L95 HydrophobicContact CG2-CD1 4.31Å; S93-L95 PolarHBondContact O-N 3.37Å; L95-V127 HydrophobicContact CB-CG1 4.22Å; L95-V127 HydrophobicContact CD1-CG1 4.45Å
96D91.1Very high91.3Very high66 Ų6650.7 Ų50.735%0.35326%0.258SS..  trans-138.4111.9174.4171.2-10.9000106.8E7 E98 T99 K100E7-D96 WeakPolarHBondContact OE1-CA 3.17Å; D96-E98 WeakPolarHBondContact OD1-CB 3.32Å; D96-E98 PolarHBondContact OD1-N 2.79Å; D96-E98 VanDerWaalsContact OD1-N 3.07Å; D96-T99 VanDerWaalsContact CG-OG1 3.27Å; D96-T99 PolarHBondContact OD1-N 3.1Å; D96-T99 WeakPolarHBondContact OD2-CB 3.18Å; D96-T99 PolarHBondContact OD2-OG1 2.79Å; D96-K100 PolarHBondContact O-N 3.37Å
97R92.7Very high91.9Very high35 Ų3549.5 Ų49.513%0.13225%0.253CS..THydrogen-bonded Turntrans-78.1-33.5-172.2161.6-90.8150.574.217.8110.7E7 T99 K100 S101 V127 D129 E166E7-R97 HydrophobicContact CB-CB 4.44Å; E7-R97 VanDerWaalsContact CD-N 3.32Å; E7-R97 HydrophobicContact CG-CB 4.47Å; E7-R97 PolarHBondContact OE1-N 3.16Å; E7-R97 WeakPolarHBondContact OE2-CB 3.4Å; R97-T99 PolarHBondContact O-N 2.83Å; R97-K100 CarbonylContact O-C 3.57Å; R97-K100 PolarHBondContact O-N 3.21Å; R97-S101 PolarHBondContact O-N 3Å; R97-V127 HydrophobicContact CB-CB 4.08Å; R97-V127 HydrophobicContact CB-CG1 3.76Å; R97-D129 WeakPolarHBondContact CD-OD1 3.49Å; R97-D129 IonicContact CZ-OD1 3.16Å; R97-D129 VanDerWaalsContact CZ-OD1 3.27Å; R97-D129 IonicContact NE-OD1 3.66Å; R97-D129 PolarHBondContact NE-OD1 2.89Å; R97-D129 IonicContact NH1-OD1 3.03Å; R97-D129 PolarHBondContact NH1-OD1 3.27Å; R97-E166 VanDerWaalsContact CZ-CB 3.43Å; R97-E166 IonicContact CZ-OE2 2.67Å; R97-E166 IonicContact NH1-OE2 2.85Å; R97-E166 PolarHBondContact NH1-OE2 3.21Å; R97-E166 IonicContact NH2-OE2 3.67Å; R97-E166 PolarHBondContact NH2-OE2 3.21Å
98E92.1Very high92Very high50 Ų5050.1 Ų50.123%0.23426%0.257CS..THydrogen-bonded Turntrans-60.8-35.1173.9-79.147.7-109.700110.7D96 I164D96-E98 WeakPolarHBondContact OD1-CB 3.32Å; D96-E98 PolarHBondContact OD1-N 2.79Å; D96-E98 VanDerWaalsContact OD1-N 3.07Å; E98-I164 HydrophobicContact CB-CD1 4.34Å; E98-I164 HydrophobicContact CG-CB 4.34Å; E98-I164 HydrophobicContact CG-CD1 3.73Å; E98-I164 HydrophobicContact CG-CG1 3.8Å
99T91.2Very high91.9Very high110 Ų11046.1 Ų46.168%0.67524%0.244SC*.THydrogen-bonded Turntrans-75.8-47.7171.5-680000112D96 R97D96-T99 VanDerWaalsContact CG-OG1 3.27Å; D96-T99 PolarHBondContact OD1-N 3.1Å; D96-T99 WeakPolarHBondContact OD2-CB 3.18Å; D96-T99 PolarHBondContact OD2-OG1 2.79Å; R97-T99 PolarHBondContact O-N 2.83Å
100K92.1Very high91.7Very high66 Ų6648 Ų4829%0.28725%0.253SS..  trans-156.5108.5-178.8-170.4171.9174.7-168.60113.8D96 R97 L102 Y103D96-K100 PolarHBondContact O-N 3.37Å; R97-K100 CarbonylContact O-C 3.57Å; R97-K100 PolarHBondContact O-N 3.21Å; K100-L102 VanDerWaalsContact CE-O 3.31Å; K100-L102 WeakPolarHBondContact CE-O 3.34Å; K100-Y103 HydrophobicContact CB-CE2 4.32Å; K100-Y103 HydrophobicContact CD-CD1 4.22Å; K100-Y103 HydrophobicContact CD-CE1 3.72Å; K100-Y103 HydrophobicContact CD-CE2 4.22Å; K100-Y103 HydrophobicContact CG-CE1 4.45Å; K100-Y103 HydrophobicContact CG-CE2 4.06Å; K100-Y103 WeakPolarHBondContact O-CE2 3.42Å
101S92.1Very high91.2Very high59 Ų5948.3 Ų48.341%0.41326%0.255SS..SBendtrans-84.9-19.9-177.161.70000116.1R97 V127R97-S101 PolarHBondContact O-N 3Å; S101-V127 PolarHBondContact O-N 3Å
102L94.4Very high90.4Very high60 Ų6049.8 Ų49.831%0.31427%0.271SS..EExtended strand (participates in β ladder)trans-133.6126.3-175.4-179.263.4000112.3K100 E104 Q124K100-L102 VanDerWaalsContact CE-O 3.31Å; K100-L102 WeakPolarHBondContact CE-O 3.34Å; L102-E104 HydrophobicContact CD1-CG 4.43Å; L102-E104 HydrophobicContact CD2-CG 4.06Å; L102-E104 HydrophobicContact CG-CG 3.99Å; L102-Q124 HydrophobicContact CD1-CB 4.08Å
103Y93.5Very high89.5Confident6 Ų643.5 Ų43.52%0.02425%0.25CC..EExtended strand (participates in β ladder)trans-114.9120.6171.6-64.8-100.9000109.7F39 E41 F42 K100 V125 V127F39-Y103 HydrophobicContact CB-CD1 3.98Å; F39-Y103 HydrophobicContact CB-CE1 4.22Å; F39-Y103 AromaticContact CD1-CD1 3.98Å; F39-Y103 HydrophobicContact CD1-CD1 3.98Å; F39-Y103 HydrophobicContact CD1-CE1 4.24Å; F39-Y103 AromaticContact CD2-CD1 3.66Å; F39-Y103 HydrophobicContact CD2-CD1 3.66Å; F39-Y103 HydrophobicContact CD2-CG 4.45Å; F39-Y103 HydrophobicContact CE1-CD1 4.41Å; F39-Y103 HydrophobicContact CE2-CD1 4.09Å; F39-Y103 AromaticContact CG-CD1 3.6Å; F39-Y103 HydrophobicContact CG-CD1 3.6Å; F39-Y103 HydrophobicContact CG-CE1 4.12Å; F39-Y103 HydrophobicContact CZ-CD1 4.45Å; E41-Y103 HydrophobicContact CG-CE1 4.32Å; E41-Y103 WeakPolarHBondContact OE1-CE1 3.12Å; E41-Y103 PolarHBondContact OE1-OH 2.89Å; F42-Y103 HydrophobicContact CD2-CD1 4.34Å; F42-Y103 HydrophobicContact CD2-CG 4.38Å; F42-Y103 HydrophobicContact CE2-CD1 4.17Å; F42-Y103 AromaticContact CE2-CD2 3.84Å; F42-Y103 HydrophobicContact CE2-CD2 3.84Å; F42-Y103 HydrophobicContact CE2-CE1 4.39Å; F42-Y103 HydrophobicContact CE2-CE2 4.11Å; F42-Y103 AromaticContact CE2-CG 3.88Å; F42-Y103 HydrophobicContact CE2-CG 3.88Å; K100-Y103 HydrophobicContact CB-CE2 4.32Å; K100-Y103 HydrophobicContact CD-CD1 4.22Å; K100-Y103 HydrophobicContact CD-CE1 3.72Å; K100-Y103 HydrophobicContact CD-CE2 4.22Å; K100-Y103 HydrophobicContact CG-CE1 4.45Å; K100-Y103 HydrophobicContact CG-CE2 4.06Å; K100-Y103 WeakPolarHBondContact O-CE2 3.42Å; Y103-V125 PolarHBondContact N-O 2.95Å; Y103-V125 PolarHBondContact O-N 2.94Å; Y103-V127 HydrophobicContact CD2-CG2 3.9Å; Y103-V127 HydrophobicContact CE2-CG2 3.7Å
104E94.6Very high88.9Confident95 Ų9547.7 Ų47.744%0.44428%0.279SS..EExtended strand (participates in β ladder)trans-108121.4179.4-58.3-163.7103.700110.7L102 Q124L102-E104 HydrophobicContact CD1-CG 4.43Å; L102-E104 HydrophobicContact CD2-CG 4.06Å; L102-E104 HydrophobicContact CG-CG 3.99Å; E104-Q124 HydrophobicContact CG-CG 4.22Å; E104-Q124 PolarHBondContact OE1-NE2 3.37Å
105F93.2Very high88.5Confident2 Ų248.2 Ų48.21%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-119.1149.2177.5-53-100.4000110.6I35 E36 P37 F39 F42 K122 L123 V125I35-F105 HydrophobicContact CB-CB 4.38Å; I35-F105 HydrophobicContact CB-CD1 3.97Å; I35-F105 HydrophobicContact CD1-CD1 3.99Å; I35-F105 HydrophobicContact CD1-CE1 3.87Å; I35-F105 HydrophobicContact CG1-CD1 4.45Å; I35-F105 HydrophobicContact CG2-CB 4.37Å; I35-F105 HydrophobicContact CG2-CD1 4.49Å; E36-F105 CarbonylContact O-C 3.58Å; P37-F105 WeakPolarHBondContact O-CD1 3.47Å; F39-F105 HydrophobicContact CB-CE1 4.14Å; F39-F105 HydrophobicContact CB-CZ 4.2Å; F39-F105 AromaticContact CD2-CD1 3.94Å; F39-F105 HydrophobicContact CD2-CD1 3.94Å; F39-F105 AromaticContact CD2-CE1 3.4Å; F39-F105 HydrophobicContact CD2-CE1 3.4Å; F39-F105 HydrophobicContact CD2-CE2 4.14Å; F39-F105 AromaticContact CD2-CZ 3.51Å; F39-F105 HydrophobicContact CD2-CZ 3.51Å; F39-F105 HydrophobicContact CE2-CD1 4.42Å; F39-F105 HydrophobicContact CE2-CE1 4.27Å; F39-F105 HydrophobicContact CE2-CZ 4.38Å; F39-F105 HydrophobicContact CG-CE1 4.23Å; F39-F105 HydrophobicContact CG-CZ 4.33Å; F42-F105 HydrophobicContact CB-CE1 4.43Å; F42-F105 HydrophobicContact CB-CZ 3.9Å; F42-F105 HydrophobicContact CD2-CE2 4.33Å; F42-F105 AromaticContact CD2-CZ 3.76Å; F42-F105 HydrophobicContact CD2-CZ 3.76Å; F42-F105 HydrophobicContact CG-CZ 4.06Å; F105-K122 CarbonylContact O-C 3.42Å; F105-K122 WeakPolarHBondContact O-CA 3.38Å; F105-L123 HydrophobicContact CB-CB 4.22Å; F105-L123 HydrophobicContact CD2-CD2 4.32Å; F105-L123 HydrophobicContact CD2-CG 4.4Å; F105-L123 PolarHBondContact N-O 3.42Å; F105-L123 PolarHBondContact O-N 3.13Å; F105-V125 HydrophobicContact CD2-CG2 3.87Å; F105-V125 HydrophobicContact CE2-CB 4.13Å; F105-V125 HydrophobicContact CE2-CG2 3.56Å
106N93Very high88.1Confident73 Ų7351.4 Ų51.439%0.3931%0.306SS..EExtended strand (participates in β ladder)trans-95103.7160.7-72-30.2000108.3I35 E36 T120I35-N106 WeakPolarHBondContact CA-O 3.21Å; E36-N106 PolarHBondContact N-O 2.72Å; E36-N106 PolarHBondContact O-N 3.18Å; N106-T120 HydrophobicContact CB-CG2 3.78Å
107L92.2Very high87.7Confident10 Ų1057.2 Ų57.25%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-85.2113174.6174.964.5000108.8L17 Y33 M34 I35 L44 L87 T120 I121 L123L17-L107 HydrophobicContact CD1-CD2 4.41Å; Y33-L107 HydrophobicContact CD1-CD1 4.45Å; M34-L107 CarbonylContact O-C 3.57Å; M34-L107 WeakPolarHBondContact O-CA 3.44Å; I35-L107 HydrophobicContact CG2-CB 4.31Å; I35-L107 HydrophobicContact CG2-CD1 3.74Å; L44-L107 HydrophobicContact CD1-CD1 4.38Å; L44-L107 HydrophobicContact CD2-CD1 3.86Å; L87-L107 HydrophobicContact CD2-CD1 4.35Å; L87-L107 HydrophobicContact CD2-CD2 3.94Å; L107-T120 CarbonylContact O-C 3.59Å; L107-T120 WeakPolarHBondContact O-CA 3.42Å; L107-I121 HydrophobicContact CB-CG2 4.03Å; L107-I121 HydrophobicContact CD2-CG2 4.23Å; L107-I121 HydrophobicContact CG-CG2 4.39Å; L107-I121 PolarHBondContact N-O 3.41Å; L107-I121 PolarHBondContact O-N 2.93Å; L107-L123 HydrophobicContact CB-CB 4.29Å
108T91.2Very high87.5Confident13 Ų1360.8 Ų60.88%0.0834%0.344CS..EExtended strand (participates in β ladder)trans-110.1122.1-179.7-560000110.1Y33 M34 I110 N118 A119 T120Y33-T108 CarbonylContact C-O 3.59Å; Y33-T108 WeakPolarHBondContact CA-O 3.41Å; M34-T108 PolarHBondContact N-O 2.93Å; M34-T108 PolarHBondContact O-N 3.35Å; T108-I110 HydrophobicContact CG2-CG1 4.1Å; T108-N118 HydrophobicContact CG2-CB 3.74Å; T108-A119 CarbonylContact C-O 3.52Å; T108-A119 WeakPolarHBondContact CA-O 3.2Å; T108-T120 WeakPolarHBondContact CG2-OG1 3.49Å; T108-T120 WeakPolarHBondContact OG1-CG2 3.41Å; T108-T120 PolarHBondContact OG1-OG1 3.41Å
109A87.8Confident87.3Confident11 Ų1161.5 Ų61.59%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-96.3135.4169.400000109.3A20 I30 Y33 N118 A119A20-A109 HydrophobicContact CB-CB 3.59Å; I30-A109 HydrophobicContact CG2-CB 4.32Å; Y33-A109 HydrophobicContact CD1-CB 3.82Å; Y33-A109 HydrophobicContact CE1-CB 3.65Å; A109-N118 CarbonylContact O-C 3.37Å; A109-N118 WeakPolarHBondContact O-CA 3.48Å; A109-N118 VanDerWaalsContact O-CB 3.3Å; A109-N118 WeakPolarHBondContact O-CB 3.48Å; A109-A119 PolarHBondContact N-O 2.8Å; A109-A119 PolarHBondContact O-N 2.77Å
110I86.9Confident87.3Confident39 Ų3960.1 Ų60.120%0.235%0.35CS..EExtended strand (participates in β ladder)trans-124.4124.9-176.8-50.7174.7000108.7M31 K32 T108 N118M31-I110 PolarHBondContact N-O 3.25Å; K32-I110 HydrophobicContact CB-CB 4.49Å; K32-I110 PolarHBondContact N-O 3.29Å; K32-I110 PolarHBondContact O-N 3.47Å; T108-I110 HydrophobicContact CG2-CG1 4.1Å; I110-N118 HydrophobicContact CG1-CB 3.97Å
111D81.9Confident87.3Confident29 Ų2961.2 Ų61.216%0.15536%0.358CS..  trans-76.4165.3175.971.725.3000112.1N28 G113 S116 R117N28-D111 WeakPolarHBondContact O-CB 3.17Å; D111-G113 PolarHBondContact O-N 2.98Å; D111-G113 PolarHBondContact OD1-N 2.89Å; D111-S116 VanDerWaalsContact OD1-CA 3.24Å; D111-S116 WeakPolarHBondContact OD1-CA 3.17Å; D111-R117 PolarHBondContact N-O 2.81Å; D111-R117 PolarHBondContact OD1-N 2.8Å; D111-R117 WeakPolarHBondContact OD2-CB 3.36Å; D111-R117 PolarHBondContact OD2-N 2.8Å
112G75.6Confident87.4Confident32 Ų3265 Ų6533%0.3337%0.368SS..SBendtrans-82.98.8175.100000114.4N28 N29N28-G112 PolarHBondContact O-N 3.4Å; N28-G112 VanDerWaalsContact O-N 3.16Å; N29-G112 PolarHBondContact O-N 2.9Å
113G73.4Confident87.3Confident9 Ų962.2 Ų62.29%0.09335%0.353CS..  trans-67.6163.9-171.900000113.8D111 P115 S116D111-G113 PolarHBondContact O-N 2.98Å; D111-G113 PolarHBondContact OD1-N 2.89Å; G113-P115 CarbonylContact C-O 3.53Å; G113-P115 CarbonylContact O-C 3.23Å; G113-P115 VanDerWaalsContact O-C 3.23Å; G113-S116 VanDerWaalsContact O-CA 3.23Å; G113-S116 WeakPolarHBondContact O-CA 3.47Å; G113-S116 PolarHBondContact O-N 3.43Å
114S77.4Confident87.4Confident126 Ų12664 Ų6488%0.88136%0.361SS*.SBendtrans-126.4100.7169.1-73.30000109.4
115P80.6Confident87.3Confident112 Ų11259.4 Ų59.473%0.72734%0.34SS*.SBendcis-72150.22.931.7-35.4000112.4G113G113-P115 CarbonylContact C-O 3.53Å; G113-P115 CarbonylContact O-C 3.23Å; G113-P115 VanDerWaalsContact O-C 3.23Å
116S82.4Confident87.3Confident77 Ų7761.6 Ų61.654%0.53835%0.35SS..  trans-71.7137.1174.657.60000109.9D111 G113D111-S116 VanDerWaalsContact OD1-CA 3.24Å; D111-S116 WeakPolarHBondContact OD1-CA 3.17Å; G113-S116 VanDerWaalsContact O-CA 3.23Å; G113-S116 WeakPolarHBondContact O-CA 3.47Å; G113-S116 PolarHBondContact O-N 3.43Å
117R84.2Confident87.3Confident188 Ų18858.5 Ų58.571%0.70933%0.334SS*.  trans-108.8154.8170-62.8-174.4166167.6-1.6109.9D111D111-R117 PolarHBondContact N-O 2.81Å; D111-R117 PolarHBondContact OD1-N 2.8Å; D111-R117 WeakPolarHBondContact OD2-CB 3.36Å; D111-R117 PolarHBondContact OD2-N 2.8Å
118N87.9Confident87.3Confident110 Ų11060.7 Ų60.759%0.58835%0.347SS*.EExtended strand (participates in β ladder)trans-132.2155.617865.216000111.5T108 A109 I110T108-N118 HydrophobicContact CG2-CB 3.74Å; A109-N118 CarbonylContact O-C 3.37Å; A109-N118 WeakPolarHBondContact O-CA 3.48Å; A109-N118 VanDerWaalsContact O-CB 3.3Å; A109-N118 WeakPolarHBondContact O-CB 3.48Å; I110-N118 HydrophobicContact CG1-CB 3.97Å
119A88.3Confident87.3Confident65 Ų6561.5 Ų61.554%0.53735%0.351SS..EExtended strand (participates in β ladder)trans-129.4125.4172.300000108.1T108 A109T108-A119 CarbonylContact C-O 3.52Å; T108-A119 WeakPolarHBondContact CA-O 3.2Å; A109-A119 PolarHBondContact N-O 2.8Å; A109-A119 PolarHBondContact O-N 2.77Å
120T91.5Very high87.4Confident80 Ų8065.2 Ų65.249%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-110.5131.6179.3-550000110N106 L107 T108N106-T120 HydrophobicContact CB-CG2 3.78Å; L107-T120 CarbonylContact O-C 3.59Å; L107-T120 WeakPolarHBondContact O-CA 3.42Å; T108-T120 WeakPolarHBondContact CG2-OG1 3.49Å; T108-T120 WeakPolarHBondContact OG1-CG2 3.41Å; T108-T120 PolarHBondContact OG1-OG1 3.41Å
121I92.1Very high87.6Confident90 Ų9063.9 Ų63.946%0.46236%0.359SS..EExtended strand (participates in β ladder)trans-123.6143.4171.7-168168.5000109.8M1 L107 L123M1-I121 HydrophobicContact CB-CD1 4.29Å; L107-I121 HydrophobicContact CB-CG2 4.03Å; L107-I121 HydrophobicContact CD2-CG2 4.23Å; L107-I121 HydrophobicContact CG-CG2 4.39Å; L107-I121 PolarHBondContact N-O 3.41Å; L107-I121 PolarHBondContact O-N 2.93Å; I121-L123 PolarHBondContact O-N 3.5Å
122K93.8Very high88Confident139 Ų13965.6 Ų65.660%0.60437%0.368SS*.EExtended strand (participates in β ladder)trans-71.7121.1169.4-71.3-168.6175.3-166.90110M1 F105M1-K122 PolarHBondContact N-O 3.11Å; F105-K122 CarbonylContact O-C 3.42Å; F105-K122 WeakPolarHBondContact O-CA 3.38Å
123L92.9Very high88.8Confident1 Ų166.2 Ų66.21%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-103.4113.6170.7171.865.6000108M1 V3 L17 L89 F105 L107 I121 V125M1-L123 HydrophobicContact CB-CD1 4.08Å; M1-L123 HydrophobicContact CG-CD1 3.82Å; M1-L123 WeakPolarHBondContact O-CA 3.27Å; M1-L123 HydrophobicContact SD-CD1 3.97Å; V3-L123 HydrophobicContact CB-CD1 4.31Å; V3-L123 HydrophobicContact CG2-CD1 3.61Å; L17-L123 HydrophobicContact CD1-CD2 4.02Å; L17-L123 HydrophobicContact CD2-CD1 4.29Å; L89-L123 HydrophobicContact CD2-CD2 4.47Å; F105-L123 HydrophobicContact CB-CB 4.22Å; F105-L123 HydrophobicContact CD2-CD2 4.32Å; F105-L123 HydrophobicContact CD2-CG 4.4Å; F105-L123 PolarHBondContact N-O 3.42Å; F105-L123 PolarHBondContact O-N 3.13Å; L107-L123 HydrophobicContact CB-CB 4.29Å; I121-L123 PolarHBondContact O-N 3.5Å; L123-V125 HydrophobicContact CD1-CG2 4.34Å; L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 3.97Å
124Q94.2Very high89.7Confident42 Ų4267.1 Ų67.120%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-102.7115.8173-70.4-171.2-16.300108.5M1 H2 V3 L102 E104 H126M1-Q124 PolarHBondContact O-N 3.37Å; H2-Q124 WeakPolarHBondContact CA-O 3.42Å; H2-Q124 PolarHBondContact CE1-OE1 3.12Å; H2-Q124 PolarHBondContact ND1-OE1 2.84Å; V3-Q124 PolarHBondContact N-O 3.44Å; L102-Q124 HydrophobicContact CD1-CB 4.08Å; E104-Q124 HydrophobicContact CG-CG 4.22Å; E104-Q124 PolarHBondContact OE1-NE2 3.37Å; Q124-H126 PolarHBondContact OE1-NE2 3.32Å
125V93.3Very high90.6Very high0 Ų061.1 Ų61.10%033%0.327CS..EExtended strand (participates in β ladder)trans-100.3109.6175.6-174.30000107.3V3 V5 F42 L89 Y103 F105 L123V3-V125 HydrophobicContact CB-CG2 4.48Å; V3-V125 CarbonylContact O-C 3.58Å; V3-V125 WeakPolarHBondContact O-CA 3.4Å; V5-V125 HydrophobicContact CB-CG1 4.43Å; V5-V125 HydrophobicContact CG2-CG1 3.58Å; F42-V125 HydrophobicContact CE1-CG1 4.09Å; F42-V125 HydrophobicContact CE2-CG1 4.25Å; F42-V125 HydrophobicContact CZ-CG1 3.7Å; L89-V125 HydrophobicContact CD2-CG1 4.48Å; L89-V125 HydrophobicContact CD2-CG2 3.66Å; Y103-V125 PolarHBondContact N-O 2.95Å; Y103-V125 PolarHBondContact O-N 2.94Å; F105-V125 HydrophobicContact CD2-CG2 3.87Å; F105-V125 HydrophobicContact CE2-CB 4.13Å; F105-V125 HydrophobicContact CE2-CG2 3.56Å; L123-V125 HydrophobicContact CD1-CG2 4.34Å; L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 3.97Å
126H93.6Very high91.3Very high48 Ų4861.6 Ų61.622%0.22232%0.322CS..EExtended strand (participates in β ladder)trans-92.3120.6177.8-66.4-100.7000107.6H2 V3 Y4 V5 Q124H2-H126 AromaticContact ND1-CD2 3.87Å; H2-H126 AromaticContact ND1-NE2 3.27Å; H2-H126 PolarHBondContact ND1-NE2 3.49Å; V3-H126 PolarHBondContact O-N 2.77Å; Y4-H126 WeakPolarHBondContact CA-O 3.35Å; Y4-H126 HydrophobicContact CD1-CB 3.56Å; Y4-H126 HydrophobicContact CE1-CB 3.65Å; Y4-H126 AromaticContact CE1-CG 3.87Å; Y4-H126 HydrophobicContact CG-CB 4.42Å; V5-H126 PolarHBondContact N-O 2.82Å; Q124-H126 PolarHBondContact OE1-NE2 3.32Å
127V93.1Very high92Very high8 Ų858.6 Ų58.65%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-80.7119.3171.9-168.70000107.4V5 E7 L95 R97 S101 Y103V5-V127 CarbonylContact O-C 3.6Å; V5-V127 VanDerWaalsContact O-CA 3.26Å; V5-V127 WeakPolarHBondContact O-CA 3.38Å; E7-V127 HydrophobicContact CB-CG1 3.86Å; L95-V127 HydrophobicContact CB-CG1 4.22Å; L95-V127 HydrophobicContact CD1-CG1 4.45Å; R97-V127 HydrophobicContact CB-CB 4.08Å; R97-V127 HydrophobicContact CB-CG1 3.76Å; S101-V127 PolarHBondContact O-N 3Å; Y103-V127 HydrophobicContact CD2-CG2 3.9Å; Y103-V127 HydrophobicContact CE2-CG2 3.7Å
128T91.1Very high92.6Very high55 Ų5554.8 Ų54.834%0.33729%0.289SS..EExtended strand (participates in β ladder)trans-85.6129.2175.863.60000109.3Y4 V5 S6 E7Y4-T128 HydrophobicContact CD1-CG2 3.86Å; Y4-T128 HydrophobicContact CG-CG2 4.34Å; V5-T128 PolarHBondContact O-N 2.79Å; V5-T128 PolarHBondContact O-OG1 2.92Å; S6-T128 VanDerWaalsContact CA-OG1 3.23Å; S6-T128 WeakPolarHBondContact CA-OG1 3.41Å; E7-T128 PolarHBondContact N-O 3.33Å
129D90.9Very high92.9Very high30 Ų3055.3 Ų55.316%0.1629%0.287CS..  trans-39.3137174.4-154.373.2000114.5R97 E166 N169R97-D129 WeakPolarHBondContact CD-OD1 3.49Å; R97-D129 IonicContact CZ-OD1 3.16Å; R97-D129 VanDerWaalsContact CZ-OD1 3.27Å; R97-D129 IonicContact NE-OD1 3.66Å; R97-D129 PolarHBondContact NE-OD1 2.89Å; R97-D129 IonicContact NH1-OD1 3.03Å; R97-D129 PolarHBondContact NH1-OD1 3.27Å; D129-E166 HydrophobicContact CB-CB 4.47Å; D129-E166 PolarHBondContact OD1-N 2.87Å; D129-E166 PolarHBondContact OD2-N 2.63Å; D129-N169 VanDerWaalsContact OD2-CB 3.23Å; D129-N169 WeakPolarHBondContact OD2-CB 2.93Å; D129-N169 PolarHBondContact OD2-ND2 2.96Å
130F90.1Very high93.2Very high89 Ų8958.9 Ų58.939%0.3930%0.297SS..  trans-125.1140.3164.7-175.2-95.9000109.5E7 D132E7-F130 HydrophobicContact CB-CB 4.03Å; E7-F130 PolarHBondContact OE2-N 2.9Å; F130-D132 VanDerWaalsContact C-N 3.32Å; F130-D132 HydrophobicContact CD1-CB 4.06Å; F130-D132 PolarHBondContact O-N 2.73Å
131N91.4Very high93.4Very high12 Ų1258 Ų586%0.06429%0.291CS..  trans-75.676.5-175.8-162.653.4000111.6D165 N169 D219 L223 R225N131-D165 WeakPolarHBondContact CA-OD2 3.2Å; N131-D165 PolarHBondContact OD1-OD2 3.47Å; N131-N169 HydrophobicContact CB-CB 4.16Å; N131-N169 VanDerWaalsContact OD1-CB 3.25Å; N131-N169 WeakPolarHBondContact OD1-CB 3.49Å; N131-N169 PolarHBondContact OD1-O 3.32Å; N131-D219 VanDerWaalsContact ND2-CG 3.28Å; N131-D219 PolarHBondContact ND2-OD1 3.35Å; N131-D219 PolarHBondContact ND2-OD2 2.81Å; N131-D219 PolarHBondContact OD1-OD2 2.72Å; N131-L223 PolarHBondContact ND2-O 2.93Å; N131-R225 VanDerWaalsContact O-CD 3.23Å; N131-R225 WeakPolarHBondContact O-CD 3.35Å
132D89.9Confident93.7Very high64 Ų6454.1 Ų54.134%0.34227%0.271SS..  trans-108.8-17.1-179.472.2-18.1000114.5F130 R225F130-D132 VanDerWaalsContact C-N 3.32Å; F130-D132 HydrophobicContact CD1-CB 4.06Å; F130-D132 PolarHBondContact O-N 2.73Å; D132-R225 PolarHBondContact O-NE 3.1Å; D132-R225 PolarHBondContact O-NH1 3.38Å
133N92.1Very high93.8Very high46 Ų4653 Ų5325%0.24627%0.27CS..SBendtrans-86.9161.5169.6-62-75.4000110.9I164 D165 R225N133-I164 HydrophobicContact CB-CD1 4.35Å; N133-I164 HydrophobicContact CB-CG1 3.78Å; N133-D165 VanDerWaalsContact CB-OD1 3.28Å; N133-D165 WeakPolarHBondContact CB-OD1 3.49Å; N133-D165 PolarHBondContact N-OD2 3.33Å; N133-D165 PolarHBondContact ND2-OD1 2.78Å; N133-R225 WeakPolarHBondContact O-CD 3.47Å; N133-R225 PolarHBondContact O-NE 3.12Å
134S93.8Very high94Very high28 Ų2854.1 Ų54.120%0.19628%0.277CS..  trans-124.8147.4178.1-450000107.6I136 R225S134-I136 WeakPolarHBondContact O-CG1 3.5Å; S134-I136 PolarHBondContact O-N 3.44Å; S134-R225 PolarHBondContact OG-NE 3.24Å; S134-R225 PolarHBondContact OG-NH2 3.23Å; S134-R225 VanDerWaalsContact OG-NH2 3.14Å
135P95.7Very high94.1Very high0 Ų056.8 Ų56.80%029%0.293CS..  trans-56134.9179.7-25.932.5000111A161 D163 I172 A217 D219 R225 T227P135-A161 HydrophobicContact CB-CB 4.26Å; P135-D163 WeakPolarHBondContact CD-OD2 3.42Å; P135-D163 VanDerWaalsContact CG-OD2 3.31Å; P135-D163 WeakPolarHBondContact CG-OD2 3.42Å; P135-D163 VanDerWaalsContact N-OD2 3.1Å; P135-I172 HydrophobicContact CB-CD1 4.12Å; P135-I172 HydrophobicContact CB-CG1 4.1Å; P135-I172 HydrophobicContact CG-CG1 4.15Å; P135-A217 HydrophobicContact CB-CB 3.86Å; P135-D219 HydrophobicContact CG-CB 4.16Å; P135-R225 WeakPolarHBondContact CD-O 3.27Å; P135-T227 WeakPolarHBondContact O-CB 3.22Å; P135-T227 PolarHBondContact O-OG1 3.21Å
136I95.3Very high94.3Very high121 Ų12157.3 Ų57.362%0.62130%0.295SS*.EExtended strand (participates in β ladder)trans-115.4120.7179.6-56.8176.1000109.2S134 A161 N162S134-I136 WeakPolarHBondContact O-CG1 3.5Å; S134-I136 PolarHBondContact O-N 3.44Å; I136-A161 CarbonylContact O-C 3.57Å; I136-A161 WeakPolarHBondContact O-CA 3.3Å; I136-A161 WeakPolarHBondContact O-CB 3.36Å; I136-N162 PolarHBondContact N-O 2.74Å; I136-N162 PolarHBondContact O-N 3.21Å
137F97.1Very high94.3Very high15 Ų1559.1 Ų59.17%0.06630%0.304CS..EExtended strand (participates in β ladder)trans-68.3147.9174.4-74.6-80.5000112K139 V159 K160 A161 Y174 V215 A217 T227 C229F137-K139 WeakPolarHBondContact CB-O 3.2Å; F137-K139 PolarHBondContact O-N 2.98Å; F137-V159 HydrophobicContact CD1-CB 4.24Å; F137-V159 HydrophobicContact CE1-CB 3.93Å; F137-V159 HydrophobicContact CE1-CG2 3.98Å; F137-K160 WeakPolarHBondContact CA-O 3.31Å; F137-A161 HydrophobicContact CD1-CB 3.84Å; F137-A161 HydrophobicContact CE1-CB 4.11Å; F137-A161 HydrophobicContact CG-CB 4.09Å; F137-Y174 HydrophobicContact CE1-CD1 4Å; F137-Y174 AromaticContact CE1-CE1 3.82Å; F137-Y174 HydrophobicContact CE1-CE1 3.82Å; F137-Y174 HydrophobicContact CZ-CD1 4.27Å; F137-Y174 HydrophobicContact CZ-CE1 4.39Å; F137-V215 HydrophobicContact CE1-CG1 4.48Å; F137-V215 HydrophobicContact CZ-CG1 4.16Å; F137-A217 HydrophobicContact CE1-CB 4.08Å; F137-A217 HydrophobicContact CE2-CB 3.65Å; F137-A217 HydrophobicContact CZ-CB 3.39Å; F137-T227 HydrophobicContact CD2-CG2 4.31Å; F137-T227 WeakPolarHBondContact CE2-O 3.25Å; F137-C229 HydrophobicContact CB-CB 4.09Å; F137-C229 HydrophobicContact CD1-CB 4.21Å; F137-C229 HydrophobicContact CD2-CB 3.58Å; F137-C229 HydrophobicContact CE2-CB 3.97Å; F137-C229 HydrophobicContact CG-CB 3.7Å; F137-C229 HydrophobicContact CZ-CB 4.44Å
138E95.7Very high94.4Very high107 Ų10759 Ų5950%0.530%0.303SS..SBendtrans-64.6-24.5175.6-68.2-179.4173.500112.8K160E138-K160 HydrophobicContact CG-CB 4.36Å; E138-K160 HydrophobicContact CG-CG 4.45Å; E138-K160 PolarHBondContact N-O 3.18Å; E138-K160 VanDerWaalsContact OE1-CD 3.32Å; E138-K160 WeakPolarHBondContact OE1-CD 3.48Å; E138-K160 WeakPolarHBondContact OE1-CE 3.32Å; E138-K160 IonicContact OE1-NZ 2.93Å; E138-K160 PolarHBondContact OE1-NZ 3.43Å
139K95.3Very high94.4Very high122 Ų12260.9 Ų60.953%0.5331%0.311SS..  trans-139.8143.7175.8-57.2178.6-176.6175.50110.8F137 T141 Y142F137-K139 WeakPolarHBondContact CB-O 3.2Å; F137-K139 PolarHBondContact O-N 2.98Å; K139-T141 VanDerWaalsContact C-N 3.31Å; K139-Y142 HydrophobicContact CB-CD2 4.16Å; K139-Y142 HydrophobicContact CB-CE1 4.3Å; K139-Y142 HydrophobicContact CB-CE2 3.79Å; K139-Y142 HydrophobicContact CD-CD1 4.13Å; K139-Y142 HydrophobicContact CD-CE1 4.05Å; K139-Y142 HydrophobicContact CG-CE1 4.32Å; K139-Y142 PolarHBondContact N-OH 2.63Å; K139-Y142 VanDerWaalsContact O-CE2 3.26Å; K139-Y142 WeakPolarHBondContact O-CE2 3.12Å
140D94.5Very high94.5Very high140 Ų14060.1 Ų60.175%0.74931%0.309SS*.SBendtrans-70-31.8171.3-62.2-31.5000111.9I230D140-I230 PolarHBondContact O-N 3.48Å
141T96.5Very high94.7Very high60 Ų6065.6 Ų65.637%0.36833%0.327SS..EExtended strand (participates in β ladder)trans-138129.6178.3-54.50000111.5K139 I143 I230 E232K139-T141 VanDerWaalsContact C-N 3.31Å; T141-I143 HydrophobicContact CG2-CG1 4.17Å; T141-I230 CarbonylContact C-O 3.55Å; T141-I230 VanDerWaalsContact CA-O 3.23Å; T141-I230 WeakPolarHBondContact CA-O 3.46Å; T141-I230 HydrophobicContact CG2-CB 4.32Å; T141-I230 HydrophobicContact CG2-CG2 4.28Å; T141-E232 HydrophobicContact CG2-CB 4.45Å
142Y97Very high94.9Very high9 Ų968 Ų684%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-105.7125.3173-67.4-102.1000108.4K139 I157 V159 K160 C229 I230 V231 E232K139-Y142 HydrophobicContact CB-CD2 4.16Å; K139-Y142 HydrophobicContact CB-CE1 4.3Å; K139-Y142 HydrophobicContact CB-CE2 3.79Å; K139-Y142 HydrophobicContact CD-CD1 4.13Å; K139-Y142 HydrophobicContact CD-CE1 4.05Å; K139-Y142 HydrophobicContact CG-CE1 4.32Å; K139-Y142 PolarHBondContact N-OH 2.63Å; K139-Y142 VanDerWaalsContact O-CE2 3.26Å; K139-Y142 WeakPolarHBondContact O-CE2 3.12Å; Y142-I157 HydrophobicContact CD1-CD1 4.12Å; Y142-I157 HydrophobicContact CD1-CG1 4.43Å; Y142-V159 HydrophobicContact CD2-CG1 4.02Å; Y142-V159 HydrophobicContact CE2-CB 4.38Å; Y142-V159 HydrophobicContact CE2-CG1 4.06Å; Y142-V159 HydrophobicContact CG-CG1 4.27Å; Y142-K160 PolarHBondContact OH-N 2.92Å; Y142-K160 PolarHBondContact OH-O 2.93Å; Y142-C229 HydrophobicContact CE2-CB 4.4Å; Y142-I230 PolarHBondContact N-O 3.5Å; Y142-V231 CarbonylContact O-C 3.55Å; Y142-V231 WeakPolarHBondContact O-CA 3.45Å; Y142-E232 PolarHBondContact O-N 3.49Å
143I97.1Very high95.1Very high115 Ų11572 Ų7259%0.5936%0.36SS*.EExtended strand (participates in β ladder)trans-112.4133.5179.5-56.5172.6000108.3T141 E232T141-I143 HydrophobicContact CG2-CG1 4.17Å; I143-E232 WeakPolarHBondContact CA-O 3.31Å; I143-E232 HydrophobicContact CG1-CB 4.38Å
144V96.5Very high95.2Very high26 Ų2672 Ų7216%0.15836%0.361CS..EExtended strand (participates in β ladder)trans-149.3148-179.763.20000110.6V156 I157 E232 I233 T234V144-V156 HydrophobicContact CG1-CG1 3.72Å; V144-V156 HydrophobicContact CG2-CG1 4.24Å; V144-I157 HydrophobicContact CB-CB 4.43Å; V144-I157 HydrophobicContact CB-CD1 4Å; V144-I157 HydrophobicContact CG1-CB 4.37Å; V144-I157 HydrophobicContact CG1-CD1 4.49Å; V144-I157 HydrophobicContact CG1-CG2 4.25Å; V144-I157 HydrophobicContact CG2-CB 4.48Å; V144-E232 PolarHBondContact N-O 3.07Å; V144-I233 HydrophobicContact CG1-CB 4.29Å; V144-I233 HydrophobicContact CG1-CG1 3.79Å; V144-I233 HydrophobicContact CG1-CG2 4.34Å; V144-I233 CarbonylContact O-C 3.55Å; V144-I233 WeakPolarHBondContact O-CA 3.37Å; V144-T234 PolarHBondContact O-N 2.61Å
145D96.4Very high95.4Very high98 Ų9874.3 Ų74.352%0.52438%0.375SS..EExtended strand (participates in β ladder)trans-102.1136.6174.2-58.6-26.2000109.5T234 L236D145-T234 CarbonylContact C-O 3.52Å; D145-T234 WeakPolarHBondContact CA-O 3.31Å; D145-T234 VanDerWaalsContact OD1-CB 3.32Å; D145-T234 WeakPolarHBondContact OD1-CB 3.43Å; D145-T234 PolarHBondContact OD1-OG1 2.82Å; D145-L236 HydrophobicContact CB-CD1 3.86Å; D145-L236 HydrophobicContact CB-CD2 4.12Å; D145-L236 HydrophobicContact CB-CG 3.98Å
146L96.3Very high95.4Very high11 Ų1175.1 Ų75.16%0.05838%0.38CS..EExtended strand (participates in β ladder)trans-132.8120-178.4-17967.1000109.9A150 V156 F188 V199 V203 I233 T234 V235 L236L146-A150 HydrophobicContact CD1-CB 3.59Å; L146-A150 HydrophobicContact CG-CB 4.19Å; L146-V156 HydrophobicContact CD1-CG2 4.2Å; L146-V156 HydrophobicContact CD2-CG2 4.31Å; L146-F188 HydrophobicContact CD2-CE1 3.79Å; L146-F188 HydrophobicContact CD2-CZ 4.09Å; L146-V199 HydrophobicContact CD1-CG2 4.05Å; L146-V199 HydrophobicContact CD2-CG2 3.9Å; L146-V203 HydrophobicContact CD2-CG2 4.05Å; L146-I233 HydrophobicContact CB-CG2 3.62Å; L146-I233 HydrophobicContact CD2-CG2 4.15Å; L146-T234 PolarHBondContact N-O 2.82Å; L146-V235 CarbonylContact O-C 3.48Å; L146-V235 VanDerWaalsContact O-CA 3.29Å; L146-V235 WeakPolarHBondContact O-CA 3.37Å; L146-L236 PolarHBondContact O-N 2.66Å
147H95Very high95.5Very high86 Ų8670.9 Ų70.940%0.39836%0.358SS..EExtended strand (participates in β ladder)trans-63.5135.1169.9-64.9-95.1000110.1N149 A150 E238H147-N149 VanDerWaalsContact C-N 3.26Å; H147-N149 PolarHBondContact O-N 3.03Å; H147-A150 WeakPolarHBondContact O-CB 3.37Å; H147-A150 PolarHBondContact O-N 2.91Å; H147-E238 HydrophobicContact CB-CG 4.35Å; H147-E238 IonicContact CE1-OE1 3.32Å; H147-E238 PolarHBondContact CE1-OE1 2.77Å; H147-E238 IonicContact CG-OE1 2.73Å; H147-E238 IonicContact ND1-OE1 3.27Å; H147-E238 PolarHBondContact ND1-OE1 2.89Å
148E94.5Very high95.4Very high5 Ų573.9 Ų73.92%0.02337%0.373CS..THydrogen-bonded Turntrans-60.6-34.8-177.771.6-173.5118.900113.2A150 V203 Y205 V235 L236 D237 E238E148-A150 PolarHBondContact O-N 3.22Å; E148-V203 CarbonylContact C-O 3.6Å; E148-V203 WeakPolarHBondContact CB-O 3.11Å; E148-Y205 VanDerWaalsContact CD-CB 3.41Å; E148-Y205 WeakPolarHBondContact OE1-CB 3.17Å; E148-Y205 WeakPolarHBondContact OE2-CB 3.17Å; E148-Y205 PolarHBondContact OE2-N 3.14Å; E148-V235 HydrophobicContact CB-CG1 3.8Å; E148-L236 PolarHBondContact N-O 3.37Å; E148-L236 VanDerWaalsContact N-O 3.15Å; E148-D237 WeakPolarHBondContact OE1-CA 3.43Å; E148-E238 HydrophobicContact CG-CB 4.05Å; E148-E238 HydrophobicContact CG-CG 4.22Å; E148-E238 PolarHBondContact OE1-N 2.9Å
149N91.1Very high95.5Very high95 Ų9568.8 Ų68.851%0.50835%0.349SS..THydrogen-bonded Turntrans-748.8176.969.68.2000114.3H147 R151 E238H147-N149 VanDerWaalsContact C-N 3.26Å; H147-N149 PolarHBondContact O-N 3.03Å; N149-R151 PolarHBondContact O-N 2.99Å; N149-R151 VanDerWaalsContact O-N 3.16Å; N149-E238 HydrophobicContact CB-CG 4.47Å; N149-E238 PolarHBondContact ND2-OE2 2.84Å
150A94Very high95.6Very high14 Ų1467.4 Ų67.412%0.11634%0.343CS..PPolyproline II helixtrans-56.7120.2176.400000110.6L146 H147 E148 T154 V199L146-A150 HydrophobicContact CD1-CB 3.59Å; L146-A150 HydrophobicContact CG-CB 4.19Å; H147-A150 WeakPolarHBondContact O-CB 3.37Å; H147-A150 PolarHBondContact O-N 2.91Å; E148-A150 PolarHBondContact O-N 3.22Å; A150-T154 HydrophobicContact CB-CG2 4.31Å; A150-V199 HydrophobicContact CB-CG2 4.14Å
151R94.4Very high95.6Very high203 Ų20361 Ų6177%0.76631%0.309SS*.PPolyproline II helixtrans-64.8151-177.7-64-179-177.8179.60.8110.9N149 H153 T154N149-R151 PolarHBondContact O-N 2.99Å; N149-R151 VanDerWaalsContact O-N 3.16Å; R151-H153 PolarHBondContact O-N 2.8Å; R151-T154 PolarHBondContact N-OG1 3.27Å; R151-T154 VanDerWaalsContact O-CB 3.27Å; R151-T154 WeakPolarHBondContact O-CB 3.3Å; R151-T154 PolarHBondContact O-N 2.78Å; R151-T154 PolarHBondContact O-OG1 2.8Å
152P94.6Very high95.6Very high63 Ų6362.3 Ų62.341%0.40931%0.314SS..THydrogen-bonded Turntrans-50.6139.1169-27.935.7000111.7
153H93.5Very high95.5Very high149 Ų14963 Ų6369%0.6932%0.318SS*.THydrogen-bonded Turntrans75.39.3-172.8-45.783.4000115.9R151 H198 V199R151-H153 PolarHBondContact O-N 2.8Å; H153-H198 PolarHBondContact O-CD2 2.88Å; H153-V199 WeakPolarHBondContact CA-O 3.26Å; H153-V199 PolarHBondContact N-O 2.82Å
154T95.9Very high95.3Very high44 Ų4462.8 Ų62.827%0.2732%0.318SS..  trans-63.8127.4171.2-61.70000110.1A150 R151 V156 H198 V199A150-T154 HydrophobicContact CB-CG2 4.31Å; R151-T154 PolarHBondContact N-OG1 3.27Å; R151-T154 VanDerWaalsContact O-CB 3.27Å; R151-T154 WeakPolarHBondContact O-CB 3.3Å; R151-T154 PolarHBondContact O-N 2.78Å; R151-T154 PolarHBondContact O-OG1 2.8Å; T154-V156 PolarHBondContact O-N 3.37Å; T154-H198 CarbonylContact O-C 3.58Å; T154-H198 WeakPolarHBondContact O-CA 3.17Å; T154-V199 PolarHBondContact O-N 3.07Å
155P96.1Very high95.2Very high77 Ų7762 Ų6250%0.531%0.313SS..EExtended strand (participates in β ladder)trans-69.9128174.628.8-33.5000110.1W196P155-W196 HydrophobicContact CB-CE3 4.16Å; P155-W196 HydrophobicContact CB-CZ3 4.14Å
156V96Very high94.9Very high18 Ų1862.7 Ų62.711%0.10931%0.313CS..EExtended strand (participates in β ladder)trans-97.3-66.4-178.1-177.30000109.8V144 L146 T154 F188 I197 V199 I233V144-V156 HydrophobicContact CG1-CG1 3.72Å; V144-V156 HydrophobicContact CG2-CG1 4.24Å; L146-V156 HydrophobicContact CD1-CG2 4.2Å; L146-V156 HydrophobicContact CD2-CG2 4.31Å; T154-V156 PolarHBondContact O-N 3.37Å; V156-F188 HydrophobicContact CG2-CD1 4.16Å; V156-F188 HydrophobicContact CG2-CE1 4.06Å; V156-I197 HydrophobicContact CB-CB 4.49Å; V156-I197 HydrophobicContact CB-CG2 4.3Å; V156-I197 WeakPolarHBondContact CB-O 3.33Å; V156-I197 PolarHBondContact N-O 2.99Å; V156-V199 HydrophobicContact CG2-CG2 3.67Å; V156-I233 HydrophobicContact CG1-CD1 4.23Å; V156-I233 HydrophobicContact CG1-CG1 4.48Å
157I97Very high94.6Very high31 Ų3164.8 Ų64.816%0.15934%0.337CS..EExtended strand (participates in β ladder)trans-158.1152.7-179-168154.3000110.5Y142 V144 I197 V231Y142-I157 HydrophobicContact CD1-CD1 4.12Å; Y142-I157 HydrophobicContact CD1-CG1 4.43Å; V144-I157 HydrophobicContact CB-CB 4.43Å; V144-I157 HydrophobicContact CB-CD1 4Å; V144-I157 HydrophobicContact CG1-CB 4.37Å; V144-I157 HydrophobicContact CG1-CD1 4.49Å; V144-I157 HydrophobicContact CG1-CG2 4.25Å; V144-I157 HydrophobicContact CG2-CB 4.48Å; I157-I197 HydrophobicContact CG2-CB 4.49Å; I157-I197 HydrophobicContact CG2-CD1 4.15Å; I157-I197 PolarHBondContact O-N 3.36Å; I157-V231 HydrophobicContact CG2-CG1 3.69Å
158Q96.8Very high94.4Very high78 Ų7863.6 Ų63.636%0.36434%0.338SS..EExtended strand (participates in β ladder)trans-102125.2173.1-164.8-179.810.700110.1T194 G195 W196Q158-T194 PolarHBondContact NE2-O 3.5Å; Q158-G195 WeakPolarHBondContact CA-O 3.37Å; Q158-W196 HydrophobicContact CB-CD2 3.67Å; Q158-W196 HydrophobicContact CB-CE3 3.87Å; Q158-W196 HydrophobicContact CB-CG 4.21Å; Q158-W196 HydrophobicContact CB-CH2 4.05Å; Q158-W196 HydrophobicContact CB-CZ2 3.85Å; Q158-W196 HydrophobicContact CB-CZ3 4.05Å; Q158-W196 VanDerWaalsContact CD-NE1 3.27Å; Q158-W196 HydrophobicContact CG-CD2 3.95Å; Q158-W196 HydrophobicContact CG-CG 4Å; Q158-W196 HydrophobicContact CG-CZ2 4.39Å
159V97.1Very high94.2Very high0 Ų064.3 Ų64.30%034%0.342CS..  trans-91.2147.9165.5-62.70000109.7F137 Y142 Y174 G195 I197 V215 V231F137-V159 HydrophobicContact CD1-CB 4.24Å; F137-V159 HydrophobicContact CE1-CB 3.93Å; F137-V159 HydrophobicContact CE1-CG2 3.98Å; Y142-V159 HydrophobicContact CD2-CG1 4.02Å; Y142-V159 HydrophobicContact CE2-CB 4.38Å; Y142-V159 HydrophobicContact CE2-CG1 4.06Å; Y142-V159 HydrophobicContact CG-CG1 4.27Å; V159-Y174 HydrophobicContact CG2-CD1 4.04Å; V159-Y174 HydrophobicContact CG2-CE1 4.34Å; V159-G195 WeakPolarHBondContact CG2-O 3.41Å; V159-G195 PolarHBondContact N-O 3.14Å; V159-I197 HydrophobicContact CG1-CD1 4.48Å; V159-V215 HydrophobicContact CG2-CG1 3.89Å; V159-V231 HydrophobicContact CG1-CG2 3.76Å
160K96.3Very high94.3Very high93 Ų9361.1 Ų61.140%0.40433%0.329SS..  trans-142.7128.5179.4-175.8163167.8-117.80110.3F137 E138 Y142F137-K160 WeakPolarHBondContact CA-O 3.31Å; E138-K160 HydrophobicContact CG-CB 4.36Å; E138-K160 HydrophobicContact CG-CG 4.45Å; E138-K160 PolarHBondContact N-O 3.18Å; E138-K160 VanDerWaalsContact OE1-CD 3.32Å; E138-K160 WeakPolarHBondContact OE1-CD 3.48Å; E138-K160 WeakPolarHBondContact OE1-CE 3.32Å; E138-K160 IonicContact OE1-NZ 2.93Å; E138-K160 PolarHBondContact OE1-NZ 3.43Å; Y142-K160 PolarHBondContact OH-N 2.92Å; Y142-K160 PolarHBondContact OH-O 2.93Å
161A96.2Very high94.3Very high6 Ų666.1 Ų66.15%0.0535%0.35CS..EExtended strand (participates in β ladder)trans-120.8153.5173.200000110.2P135 I136 F137 I172 Y174 A217P135-A161 HydrophobicContact CB-CB 4.26Å; I136-A161 CarbonylContact O-C 3.57Å; I136-A161 WeakPolarHBondContact O-CA 3.3Å; I136-A161 WeakPolarHBondContact O-CB 3.36Å; F137-A161 HydrophobicContact CD1-CB 3.84Å; F137-A161 HydrophobicContact CE1-CB 4.11Å; F137-A161 HydrophobicContact CG-CB 4.09Å; A161-I172 VanDerWaalsContact C-CD1 3.46Å; A161-I172 HydrophobicContact CB-CD1 4.01Å; A161-I172 WeakPolarHBondContact O-CD1 3.41Å; A161-Y174 HydrophobicContact CB-CE1 3.93Å; A161-Y174 PolarHBondContact N-OH 3.22Å; A161-Y174 PolarHBondContact O-OH 3.03Å; A161-A217 HydrophobicContact CB-CB 3.88Å
162N94.9Very high94.4Very high87 Ų8757.8 Ų57.847%0.46532%0.32SS..EExtended strand (participates in β ladder)trans-123.3139.2176.5-59.8-13.1000108.6I136I136-N162 PolarHBondContact N-O 2.74Å; I136-N162 PolarHBondContact O-N 3.21Å
163D95.5Very high94.4Very high23 Ų2360.7 Ų60.712%0.12333%0.326CS..  trans-124.3140.6173.5-157.6-44.4000107.7P135 D165 A170 I172P135-D163 WeakPolarHBondContact CD-OD2 3.42Å; P135-D163 VanDerWaalsContact CG-OD2 3.31Å; P135-D163 WeakPolarHBondContact CG-OD2 3.42Å; P135-D163 VanDerWaalsContact N-OD2 3.1Å; D163-D165 PolarHBondContact OD1-N 3.11Å; D163-A170 HydrophobicContact CB-CB 4.04Å; D163-I172 HydrophobicContact CB-CD1 4.06Å; D163-I172 HydrophobicContact CB-CG1 4.14Å
164I93.1Very high94.6Very high112 Ų11254.6 Ų54.657%0.57430%0.298SS*.  trans-96-10.5-172.561.4171.8000113.3E98 N133E98-I164 HydrophobicContact CB-CD1 4.34Å; E98-I164 HydrophobicContact CG-CB 4.34Å; E98-I164 HydrophobicContact CG-CD1 3.73Å; E98-I164 HydrophobicContact CG-CG1 3.8Å; N133-I164 HydrophobicContact CB-CD1 4.35Å; N133-I164 HydrophobicContact CB-CG1 3.78Å
165D93.6Very high94.6Very high10 Ų1059.3 Ų59.35%0.05331%0.31CS..SBendtrans-67.2-175.2177-66.6-4.5000111.7N131 N133 D163 N169 A170N131-D165 WeakPolarHBondContact CA-OD2 3.2Å; N131-D165 PolarHBondContact OD1-OD2 3.47Å; N133-D165 VanDerWaalsContact CB-OD1 3.28Å; N133-D165 WeakPolarHBondContact CB-OD1 3.49Å; N133-D165 PolarHBondContact N-OD2 3.33Å; N133-D165 PolarHBondContact ND2-OD1 2.78Å; D163-D165 PolarHBondContact OD1-N 3.11Å; D165-N169 HydrophobicContact CB-CB 3.68Å; D165-A170 VanDerWaalsContact C-CB 3.48Å; D165-A170 HydrophobicContact CB-CB 4.37Å; D165-A170 WeakPolarHBondContact O-CB 3.48Å
166E90.4Very high94.6Very high112 Ų11257.2 Ų57.252%0.52329%0.294SS..  trans-115.3151.5178.2-173.6174.8-165.800114.9R97 D129 S168 N169R97-E166 VanDerWaalsContact CZ-CB 3.43Å; R97-E166 IonicContact CZ-OE2 2.67Å; R97-E166 IonicContact NH1-OE2 2.85Å; R97-E166 PolarHBondContact NH1-OE2 3.21Å; R97-E166 IonicContact NH2-OE2 3.67Å; R97-E166 PolarHBondContact NH2-OE2 3.21Å; D129-E166 HydrophobicContact CB-CB 4.47Å; D129-E166 PolarHBondContact OD1-N 2.87Å; D129-E166 PolarHBondContact OD2-N 2.63Å; E166-S168 PolarHBondContact O-N 3.12Å; E166-N169 WeakPolarHBondContact O-CB 3.49Å; E166-N169 PolarHBondContact O-N 3.48Å; E166-N169 VanDerWaalsContact O-N 3.12Å
167G90.3Very high94.5Very high55 Ų5556.6 Ų56.657%0.56729%0.291SS*.THydrogen-bonded Turntrans65.7-125.9168.200000111.2N169 A170 Q171G167-N169 VanDerWaalsContact C-N 3.26Å; G167-N169 PolarHBondContact O-N 3.17Å; G167-A170 PolarHBondContact O-N 3.31Å; G167-Q171 PolarHBondContact O-N 3.28Å
168S91.2Very high94.3Very high61 Ų6160.4 Ų60.443%0.42732%0.32SS..THydrogen-bonded Turntrans-66.9-27.4178.651.60000113.2E166 A170 Q171 G220E166-S168 PolarHBondContact O-N 3.12Å; S168-A170 VanDerWaalsContact C-N 3.32Å; S168-Q171 PolarHBondContact O-N 2.91Å; S168-G220 CarbonylContact O-C 3.57Å; S168-G220 VanDerWaalsContact O-C 3.29Å; S168-G220 WeakPolarHBondContact O-CA 3.14Å; S168-G220 PolarHBondContact O-N 2.82Å
169N91.1Very high94.1Very high20 Ų2062.8 Ų62.811%0.10734%0.335CS..THydrogen-bonded Turntrans-74.7-22.9-178.7-63-12.4000111.8D129 N131 D165 E166 G167 D219 G221D129-N169 VanDerWaalsContact OD2-CB 3.23Å; D129-N169 WeakPolarHBondContact OD2-CB 2.93Å; D129-N169 PolarHBondContact OD2-ND2 2.96Å; N131-N169 HydrophobicContact CB-CB 4.16Å; N131-N169 VanDerWaalsContact OD1-CB 3.25Å; N131-N169 WeakPolarHBondContact OD1-CB 3.49Å; N131-N169 PolarHBondContact OD1-O 3.32Å; D165-N169 HydrophobicContact CB-CB 3.68Å; E166-N169 WeakPolarHBondContact O-CB 3.49Å; E166-N169 PolarHBondContact O-N 3.48Å; E166-N169 VanDerWaalsContact O-N 3.12Å; G167-N169 VanDerWaalsContact C-N 3.26Å; G167-N169 PolarHBondContact O-N 3.17Å; N169-D219 WeakPolarHBondContact O-CB 3.35Å; N169-G221 WeakPolarHBondContact OD1-CA 3.43Å
170A92.4Very high94Very high28 Ų2863 Ų6323%0.23134%0.336CS..THydrogen-bonded Turntrans-100.73.6166.700000115D163 D165 G167 S168 I172D163-A170 HydrophobicContact CB-CB 4.04Å; D165-A170 VanDerWaalsContact C-CB 3.48Å; D165-A170 HydrophobicContact CB-CB 4.37Å; D165-A170 WeakPolarHBondContact O-CB 3.48Å; G167-A170 PolarHBondContact O-N 3.31Å; S168-A170 VanDerWaalsContact C-N 3.32Å; A170-I172 PolarHBondContact O-N 2.84Å; A170-I172 VanDerWaalsContact O-N 3.14Å
171Q94.3Very high93.9Very high119 Ų11964 Ų6456%0.55634%0.341SS*.  trans-83.294.7179.6-170.5177.15.900111G167 S168 D219 G220G167-Q171 PolarHBondContact O-N 3.28Å; S168-Q171 PolarHBondContact O-N 2.91Å; Q171-D219 CarbonylContact O-C 3.57Å; Q171-G220 PolarHBondContact O-N 3.43Å; Q171-G220 VanDerWaalsContact O-N 3.13Å
172I95.3Very high93.6Very high27 Ų2768.6 Ų68.614%0.13837%0.37CS..  trans-75.9135.4-176.4-57.2164.9000111.7P135 A161 D163 A170 Y174 A217P135-I172 HydrophobicContact CB-CD1 4.12Å; P135-I172 HydrophobicContact CB-CG1 4.1Å; P135-I172 HydrophobicContact CG-CG1 4.15Å; A161-I172 VanDerWaalsContact C-CD1 3.46Å; A161-I172 HydrophobicContact CB-CD1 4.01Å; A161-I172 WeakPolarHBondContact O-CD1 3.41Å; D163-I172 HydrophobicContact CB-CD1 4.06Å; D163-I172 HydrophobicContact CB-CG1 4.14Å; A170-I172 PolarHBondContact O-N 2.84Å; A170-I172 VanDerWaalsContact O-N 3.14Å; I172-Y174 HydrophobicContact CG2-CD1 4.2Å; I172-Y174 HydrophobicContact CG2-CD2 4.42Å; I172-Y174 HydrophobicContact CG2-CE1 3.79Å; I172-Y174 HydrophobicContact CG2-CE2 4.01Å; I172-Y174 HydrophobicContact CG2-CG 4.5Å; I172-A217 HydrophobicContact CG2-CB 3.77Å
173K95.9Very high93.5Very high125 Ų12568.7 Ų68.754%0.54337%0.367SS..EExtended strand (participates in β ladder)trans-118.4132.3164.5-69.4178.9-177169.50110P192 S218K173-P192 WeakPolarHBondContact CA-O 3.11Å; K173-S218 PolarHBondContact N-O 2.79Å; K173-S218 PolarHBondContact O-N 2.82Å
174Y97.3Very high93.4Very high21 Ų2168 Ų688%0.08236%0.363CS..EExtended strand (participates in β ladder)trans-97.2146.9179.3-57.9-81000111F137 V159 A161 I172 L190 P192 E216 A217F137-Y174 HydrophobicContact CE1-CD1 4Å; F137-Y174 AromaticContact CE1-CE1 3.82Å; F137-Y174 HydrophobicContact CE1-CE1 3.82Å; F137-Y174 HydrophobicContact CZ-CD1 4.27Å; F137-Y174 HydrophobicContact CZ-CE1 4.39Å; V159-Y174 HydrophobicContact CG2-CD1 4.04Å; V159-Y174 HydrophobicContact CG2-CE1 4.34Å; A161-Y174 HydrophobicContact CB-CE1 3.93Å; A161-Y174 PolarHBondContact N-OH 3.22Å; A161-Y174 PolarHBondContact O-OH 3.03Å; I172-Y174 HydrophobicContact CG2-CD1 4.2Å; I172-Y174 HydrophobicContact CG2-CD2 4.42Å; I172-Y174 HydrophobicContact CG2-CE1 3.79Å; I172-Y174 HydrophobicContact CG2-CE2 4.01Å; I172-Y174 HydrophobicContact CG2-CG 4.5Å; Y174-L190 HydrophobicContact CG-CD2 4.48Å; Y174-P192 PolarHBondContact N-O 2.99Å; Y174-P192 WeakPolarHBondContact O-CA 3.46Å; Y174-E216 CarbonylContact C-O 3.33Å; Y174-E216 WeakPolarHBondContact CA-O 3.33Å; Y174-A217 HydrophobicContact CD1-CB 3.97Å; Y174-A217 HydrophobicContact CE1-CB 3.98Å
175R95.7Very high93.4Very high143 Ų14365.8 Ų65.854%0.5435%0.352SS..EExtended strand (participates in β ladder)trans-150.1155.1168.765.3179.8-177.8-162.4-5111.4S177 E216R175-S177 PolarHBondContact O-N 3.31Å; R175-E216 HydrophobicContact CG-CB 4.02Å; R175-E216 IonicContact CZ-OE1 2.69Å; R175-E216 IonicContact CZ-OE2 3.14Å; R175-E216 VanDerWaalsContact CZ-OE2 3.29Å; R175-E216 PolarHBondContact N-O 2.72Å; R175-E216 VanDerWaalsContact NE-CD 3.31Å; R175-E216 IonicContact NE-OE1 2.83Å; R175-E216 IonicContact NE-OE2 2.65Å; R175-E216 PolarHBondContact NE-OE2 2.82Å; R175-E216 IonicContact NH2-OE1 3.93Å; R175-E216 PolarHBondContact NH2-OE1 3.49Å; R175-E216 IonicContact NH2-OE2 2.79Å; R175-E216 PolarHBondContact NH2-OE2 3.43Å; R175-E216 PolarHBondContact O-N 2.99Å
176I96.4Very high93.3Very high32 Ų3274.3 Ų74.316%0.16438%0.383CS..EExtended strand (participates in β ladder)trans-72.4122165.2-59.8175.1000107.3T180 I185 F188 L190I176-T180 HydrophobicContact CG2-CG2 4.13Å; I176-T180 WeakPolarHBondContact CG2-OG1 3.24Å; I176-I185 HydrophobicContact CG2-CG1 4.21Å; I176-F188 HydrophobicContact CD1-CB 4.21Å; I176-L190 HydrophobicContact CD1-CB 4.21Å; I176-L190 HydrophobicContact CG1-CB 3.88Å; I176-L190 HydrophobicContact CG1-CD1 4.19Å
177S94.4Very high93.4Very high6 Ų670 Ų704%0.04236%0.364CS..  trans-68.3148.4-179.2-175.60000110.9R175 L179 T180 T214R175-S177 PolarHBondContact O-N 3.31Å; S177-L179 PolarHBondContact O-N 2.86Å; S177-L179 VanDerWaalsContact O-N 3.1Å; S177-L179 PolarHBondContact OG-N 3.11Å; S177-T180 VanDerWaalsContact O-CB 3.29Å; S177-T180 WeakPolarHBondContact O-CB 3.39Å; S177-T180 PolarHBondContact O-N 3.3Å; S177-T180 PolarHBondContact O-OG1 2.77Å; S177-T180 VanDerWaalsContact O-OG1 3.12Å; S177-T214 VanDerWaalsContact CB-O 3.24Å; S177-T214 WeakPolarHBondContact CB-O 3.45Å; S177-T214 PolarHBondContact N-O 2.84Å
178S91.9Very high93.7Very high110 Ų11067.5 Ų67.577%0.76934%0.338SS*.THydrogen-bonded Turntrans-63.9-9.9171.158.20000113.7T180S178-T180 PolarHBondContact O-N 3.12Å
179L93.1Very high93.9Very high128 Ų12867.1 Ų67.167%0.6733%0.333SS*.THydrogen-bonded Turntrans-68.8-20.7170.7-63.1175.5000112.4S177 T214S177-L179 PolarHBondContact O-N 2.86Å; S177-L179 VanDerWaalsContact O-N 3.1Å; S177-L179 PolarHBondContact OG-N 3.11Å; L179-T214 HydrophobicContact CB-CG2 4.2Å; L179-T214 HydrophobicContact CD1-CG2 4.21Å
180T95.1Very high94.2Very high4 Ų467.3 Ų67.33%0.02533%0.334CS..SBendtrans-67.9140.6173.1-55.90000110.1I176 S177 S178 F184 I185 L213 T214I176-T180 HydrophobicContact CG2-CG2 4.13Å; I176-T180 WeakPolarHBondContact CG2-OG1 3.24Å; S177-T180 VanDerWaalsContact O-CB 3.29Å; S177-T180 WeakPolarHBondContact O-CB 3.39Å; S177-T180 PolarHBondContact O-N 3.3Å; S177-T180 PolarHBondContact O-OG1 2.77Å; S177-T180 VanDerWaalsContact O-OG1 3.12Å; S178-T180 PolarHBondContact O-N 3.12Å; T180-F184 HydrophobicContact CG2-CB 3.87Å; T180-I185 HydrophobicContact CG2-CG1 3.95Å; T180-L213 HydrophobicContact CG2-CD2 3.66Å; T180-T214 PolarHBondContact OG1-N 3.04Å; T180-T214 PolarHBondContact OG1-O 3.46Å
181K92.9Very high94.4Very high115 Ų11568.5 Ų68.550%0.534%0.336SS..  trans-56.3138.2177.3-65.3-168-175.3175.20111.2E183 F184 I185K181-E183 HydrophobicContact CB-CG 4.01Å; K181-E183 HydrophobicContact CD-CG 4.38Å; K181-E183 WeakPolarHBondContact CD-OE1 3.47Å; K181-E183 IonicContact NZ-OE1 4Å; K181-E183 PolarHBondContact NZ-OE1 3.15Å; K181-E183 PolarHBondContact O-N 3.04Å; K181-E183 VanDerWaalsContact O-N 3.11Å; K181-F184 HydrophobicContact CB-CD2 3.75Å; K181-F184 HydrophobicContact CB-CE2 4.06Å; K181-F184 HydrophobicContact CB-CG 4.25Å; K181-F184 HydrophobicContact CD-CD2 4.24Å; K181-F184 HydrophobicContact CD-CE2 3.69Å; K181-F184 HydrophobicContact CD-CZ 4.08Å; K181-F184 HydrophobicContact CG-CD2 4.16Å; K181-F184 HydrophobicContact CG-CE2 4.04Å; K181-F184 PolarHBondContact O-N 2.88Å; K181-I185 PolarHBondContact O-N 3.11Å
182P91.6Very high94.5Very high102 Ų10266 Ų6666%0.66233%0.33SS*.Hα-helixtrans-55.8-32.4-178-27.334.5000114.7F184P182-F184 VanDerWaalsContact C-N 3.33Å
183E91.4Very high94.5Very high89 Ų8971.2 Ų71.242%0.41636%0.357SS..Hα-helixtrans-63.4-35.9176.262.4-140.8-167.100112.6K181 H208K181-E183 HydrophobicContact CB-CG 4.01Å; K181-E183 HydrophobicContact CD-CG 4.38Å; K181-E183 WeakPolarHBondContact CD-OE1 3.47Å; K181-E183 IonicContact NZ-OE1 4Å; K181-E183 PolarHBondContact NZ-OE1 3.15Å; K181-E183 PolarHBondContact O-N 3.04Å; K181-E183 VanDerWaalsContact O-N 3.11Å; E183-H208 IonicContact OE1-NE2 2.84Å
184F94.6Very high94.5Very high9 Ų967.9 Ų67.94%0.03935%0.347CS..Hα-helixtrans-82.7-29.2-178.7-55.6-29.1000113.3T180 K181 P182 R186 L187 H208 I211 L213T180-F184 HydrophobicContact CG2-CB 3.87Å; K181-F184 HydrophobicContact CB-CD2 3.75Å; K181-F184 HydrophobicContact CB-CE2 4.06Å; K181-F184 HydrophobicContact CB-CG 4.25Å; K181-F184 HydrophobicContact CD-CD2 4.24Å; K181-F184 HydrophobicContact CD-CE2 3.69Å; K181-F184 HydrophobicContact CD-CZ 4.08Å; K181-F184 HydrophobicContact CG-CD2 4.16Å; K181-F184 HydrophobicContact CG-CE2 4.04Å; K181-F184 PolarHBondContact O-N 2.88Å; P182-F184 VanDerWaalsContact C-N 3.33Å; F184-R186 PolarHBondContact O-N 2.92Å; F184-R186 VanDerWaalsContact O-N 3.17Å; F184-L187 HydrophobicContact CD1-CD1 4.19Å; F184-L187 PolarHBondContact O-N 3.1Å; F184-H208 HydrophobicContact CE1-CB 4.37Å; F184-H208 AromaticContact CE1-CD2 3.61Å; F184-H208 AromaticContact CE1-CG 3.86Å; F184-H208 AromaticContact CE1-NE2 3.85Å; F184-I211 HydrophobicContact CB-CG2 3.98Å; F184-I211 HydrophobicContact CD1-CG1 4.16Å; F184-I211 HydrophobicContact CD1-CG2 3.94Å; F184-I211 HydrophobicContact CD2-CG2 3.9Å; F184-I211 HydrophobicContact CE1-CG1 4.01Å; F184-I211 HydrophobicContact CE1-CG2 4.38Å; F184-I211 HydrophobicContact CE2-CG2 4.33Å; F184-I211 HydrophobicContact CG-CG2 3.69Å; F184-I211 HydrophobicContact CZ-CG1 4.44Å; F184-L213 HydrophobicContact CB-CD2 3.84Å
185I91.8Very high94.4Very high65 Ų6566.9 Ų66.933%0.33334%0.343SS..Hα-helixtrans-57.9-32.5178.8-63.7174.5000111.2I176 T180 K181I176-I185 HydrophobicContact CG2-CG1 4.21Å; T180-I185 HydrophobicContact CG2-CG1 3.95Å; K181-I185 PolarHBondContact O-N 3.11Å
186R91.7Very high94.5Very high189 Ų18964.5 Ų64.571%0.71333%0.334SS*.THydrogen-bonded Turntrans-78.2-19.7-179.5-64.6-177.4-178.7-86.9-0.8113.7F184F184-R186 PolarHBondContact O-N 2.92Å; F184-R186 VanDerWaalsContact O-N 3.17Å
187L94Very high94.6Very high22 Ų2263 Ų6312%0.11533%0.326CS..THydrogen-bonded Turntrans-82.3-19.7-174.6-61-179.9000112.6F184 Q200 W201 E202 I211F184-L187 HydrophobicContact CD1-CD1 4.19Å; F184-L187 PolarHBondContact O-N 3.1Å; L187-Q200 PolarHBondContact O-N 2.91Å; L187-W201 HydrophobicContact CD2-CB 4.07Å; L187-W201 PolarHBondContact O-N 3.44Å; L187-E202 WeakPolarHBondContact CD2-O 3.35Å; L187-I211 HydrophobicContact CD1-CD1 3.94Å
188F96.6Very high94.6Very high3 Ų365 Ų651%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-134.7141.7-173.1-57.1-83.7000112.3L146 V156 I176 I197 H198 V199 V203 I211 L213 I233L146-F188 HydrophobicContact CD2-CE1 3.79Å; L146-F188 HydrophobicContact CD2-CZ 4.09Å; V156-F188 HydrophobicContact CG2-CD1 4.16Å; V156-F188 HydrophobicContact CG2-CE1 4.06Å; I176-F188 HydrophobicContact CD1-CB 4.21Å; F188-I197 HydrophobicContact CB-CG2 3.92Å; F188-I197 HydrophobicContact CD1-CG2 3.92Å; F188-I197 HydrophobicContact CG-CG2 4.16Å; F188-H198 CarbonylContact C-O 3.47Å; F188-H198 VanDerWaalsContact CA-O 3.25Å; F188-H198 WeakPolarHBondContact CA-O 3.46Å; F188-V199 HydrophobicContact CE1-CG2 4.27Å; F188-V203 HydrophobicContact CZ-CG2 4.07Å; F188-I211 HydrophobicContact CE2-CD1 3.97Å; F188-I211 HydrophobicContact CE2-CG2 3.86Å; F188-I211 HydrophobicContact CZ-CD1 3.97Å; F188-L213 HydrophobicContact CB-CD1 4.24Å; F188-L213 HydrophobicContact CD2-CD1 3.85Å; F188-L213 HydrophobicContact CD2-CD2 3.94Å; F188-L213 HydrophobicContact CD2-CG 4.44Å; F188-L213 HydrophobicContact CE2-CD1 4.45Å; F188-L213 HydrophobicContact CE2-CD2 4.39Å; F188-L213 HydrophobicContact CG-CD1 3.96Å; F188-I233 HydrophobicContact CD1-CD1 4.32Å; F188-I233 HydrophobicContact CE1-CD1 3.72Å; F188-I233 HydrophobicContact CE2-CD1 4.04Å; F188-I233 HydrophobicContact CZ-CD1 3.56Å
189T95.3Very high94.8Very high53 Ų5359.8 Ų59.833%0.32530%0.299SS..EExtended strand (participates in β ladder)trans-100.3148162.552.20000109.6I197 H198 Q200T189-I197 CarbonylContact O-C 3.53Å; T189-I197 WeakPolarHBondContact O-CA 3.49Å; T189-H198 PolarHBondContact N-O 2.99Å; T189-H198 PolarHBondContact O-N 3.33Å; T189-Q200 HydrophobicContact CG2-CB 3.93Å; T189-Q200 HydrophobicContact CG2-CG 3.86Å
190L97Very high94.9Very high24 Ų2458 Ų5813%0.12629%0.287CS..EExtended strand (participates in β ladder)trans-121.3126.9172-175.4153.6000108.1Y174 I176 P192 W196 I197 V215Y174-L190 HydrophobicContact CG-CD2 4.48Å; I176-L190 HydrophobicContact CD1-CB 4.21Å; I176-L190 HydrophobicContact CG1-CB 3.88Å; I176-L190 HydrophobicContact CG1-CD1 4.19Å; L190-P192 WeakPolarHBondContact O-CD 3.11Å; L190-W196 WeakPolarHBondContact CA-O 3.31Å; L190-I197 HydrophobicContact CB-CG1 4.5Å; L190-I197 HydrophobicContact CD1-CD1 4.35Å; L190-I197 HydrophobicContact CD1-CG1 3.93Å; L190-I197 HydrophobicContact CG-CG1 4.22Å; L190-V215 HydrophobicContact CD1-CB 4.39Å; L190-V215 HydrophobicContact CD1-CG1 3.45Å; L190-V215 VanDerWaalsContact CD1-CG1 3.45Å; L190-V215 HydrophobicContact CD1-CG2 4.01Å
191D96.3Very high94.8Very high53 Ų5365 Ų6528%0.28331%0.313SS..  trans-71.3115.9173179.9-24.1000109.3I193 T194 G195 W196D191-I193 PolarHBondContact O-N 3.39Å; D191-I193 VanDerWaalsContact O-N 3.11Å; D191-I193 PolarHBondContact OD1-N 3.16Å; D191-T194 WeakPolarHBondContact CB-OG1 3.22Å; D191-T194 PolarHBondContact OD1-N 3.27Å; D191-T194 VanDerWaalsContact OD1-N 3.17Å; D191-T194 VanDerWaalsContact OD2-CG2 3.29Å; D191-T194 WeakPolarHBondContact OD2-CG2 3.24Å; D191-T194 PolarHBondContact OD2-OG1 2.72Å; D191-G195 PolarHBondContact O-N 2.98Å; D191-W196 HydrophobicContact CB-CB 4.48Å; D191-W196 PolarHBondContact N-O 3.49Å
192P96.4Very high94.7Very high66 Ų6665.6 Ų65.643%0.42932%0.317SS..THydrogen-bonded Turntrans-66.5-15.8-17327.8-35.5000113.9K173 Y174 L190K173-P192 WeakPolarHBondContact CA-O 3.11Å; Y174-P192 PolarHBondContact N-O 2.99Å; Y174-P192 WeakPolarHBondContact O-CA 3.46Å; L190-P192 WeakPolarHBondContact O-CD 3.11Å
193I94.7Very high94.8Very high137 Ų13761.1 Ų61.170%0.70329%0.288SS*.THydrogen-bonded Turntrans-102.4-47-179-57.9173.6000110.3D191D191-I193 PolarHBondContact O-N 3.39Å; D191-I193 VanDerWaalsContact O-N 3.11Å; D191-I193 PolarHBondContact OD1-N 3.16Å
194T95.6Very high94.9Very high55 Ų5559.5 Ų59.534%0.33728%0.282SS..THydrogen-bonded Turntrans-89.6-17.5-172.567.90000113.9Q158 D191 W196Q158-T194 PolarHBondContact NE2-O 3.5Å; D191-T194 WeakPolarHBondContact CB-OG1 3.22Å; D191-T194 PolarHBondContact OD1-N 3.27Å; D191-T194 VanDerWaalsContact OD1-N 3.17Å; D191-T194 VanDerWaalsContact OD2-CG2 3.29Å; D191-T194 WeakPolarHBondContact OD2-CG2 3.24Å; D191-T194 PolarHBondContact OD2-OG1 2.72Å; T194-W196 PolarHBondContact O-N 3.02Å
195G96.1Very high94.9Very high0 Ų060.8 Ų60.80%029%0.287CS..  trans75.210.3-177.200000114Q158 V159 D191Q158-G195 WeakPolarHBondContact CA-O 3.37Å; V159-G195 WeakPolarHBondContact CG2-O 3.41Å; V159-G195 PolarHBondContact N-O 3.14Å; D191-G195 PolarHBondContact O-N 2.98Å
196W97.7Very high95Very high92 Ų9260.1 Ų60.135%0.34828%0.283SS..EExtended strand (participates in β ladder)trans-76.2127.3175.3-83.5102000112.1P155 Q158 L190 D191 T194 H198P155-W196 HydrophobicContact CB-CE3 4.16Å; P155-W196 HydrophobicContact CB-CZ3 4.14Å; Q158-W196 HydrophobicContact CB-CD2 3.67Å; Q158-W196 HydrophobicContact CB-CE3 3.87Å; Q158-W196 HydrophobicContact CB-CG 4.21Å; Q158-W196 HydrophobicContact CB-CH2 4.05Å; Q158-W196 HydrophobicContact CB-CZ2 3.85Å; Q158-W196 HydrophobicContact CB-CZ3 4.05Å; Q158-W196 VanDerWaalsContact CD-NE1 3.27Å; Q158-W196 HydrophobicContact CG-CD2 3.95Å; Q158-W196 HydrophobicContact CG-CG 4Å; Q158-W196 HydrophobicContact CG-CZ2 4.39Å; L190-W196 WeakPolarHBondContact CA-O 3.31Å; D191-W196 HydrophobicContact CB-CB 4.48Å; D191-W196 PolarHBondContact N-O 3.49Å; T194-W196 PolarHBondContact O-N 3.02Å; W196-H198 WeakPolarHBondContact CB-CE1 3.18Å
197I97.6Very high95Very high0 Ų056.4 Ų56.40%028%0.276CS..EExtended strand (participates in β ladder)trans-92.6128.2170-59176.6000108.4V156 I157 V159 F188 T189 L190 L213 V215 V231V156-I197 HydrophobicContact CB-CB 4.49Å; V156-I197 HydrophobicContact CB-CG2 4.3Å; V156-I197 WeakPolarHBondContact CB-O 3.33Å; V156-I197 PolarHBondContact N-O 2.99Å; I157-I197 HydrophobicContact CG2-CB 4.49Å; I157-I197 HydrophobicContact CG2-CD1 4.15Å; I157-I197 PolarHBondContact O-N 3.36Å; V159-I197 HydrophobicContact CG1-CD1 4.48Å; F188-I197 HydrophobicContact CB-CG2 3.92Å; F188-I197 HydrophobicContact CD1-CG2 3.92Å; F188-I197 HydrophobicContact CG-CG2 4.16Å; T189-I197 CarbonylContact O-C 3.53Å; T189-I197 WeakPolarHBondContact O-CA 3.49Å; L190-I197 HydrophobicContact CB-CG1 4.5Å; L190-I197 HydrophobicContact CD1-CD1 4.35Å; L190-I197 HydrophobicContact CD1-CG1 3.93Å; L190-I197 HydrophobicContact CG-CG1 4.22Å; I197-L213 HydrophobicContact CD1-CD1 4.23Å; I197-L213 HydrophobicContact CG2-CD1 4.19Å; I197-V215 HydrophobicContact CD1-CG2 4.03Å; I197-V231 HydrophobicContact CD1-CB 4.34Å; I197-V231 HydrophobicContact CD1-CG1 4.21Å; I197-V231 HydrophobicContact CD1-CG2 3.85Å
198H96.1Very high95Very high50 Ų5057.7 Ų57.723%0.23128%0.281CS..EExtended strand (participates in β ladder)trans-123.4149.7175.6-59.783.4000110.4H153 T154 F188 T189 W196 Q200H153-H198 PolarHBondContact O-CD2 2.88Å; T154-H198 CarbonylContact O-C 3.58Å; T154-H198 WeakPolarHBondContact O-CA 3.17Å; F188-H198 CarbonylContact C-O 3.47Å; F188-H198 VanDerWaalsContact CA-O 3.25Å; F188-H198 WeakPolarHBondContact CA-O 3.46Å; T189-H198 PolarHBondContact N-O 2.99Å; T189-H198 PolarHBondContact O-N 3.33Å; W196-H198 WeakPolarHBondContact CB-CE1 3.18Å; H198-Q200 PolarHBondContact O-N 3.15Å
199V96.4Very high94.8Very high0 Ų062.4 Ų62.40%030%0.301CS..EExtended strand (participates in β ladder)trans-61.8130.7169.5-178.80000109L146 A150 H153 T154 V156 F188 W201L146-V199 HydrophobicContact CD1-CG2 4.05Å; L146-V199 HydrophobicContact CD2-CG2 3.9Å; A150-V199 HydrophobicContact CB-CG2 4.14Å; H153-V199 WeakPolarHBondContact CA-O 3.26Å; H153-V199 PolarHBondContact N-O 2.82Å; T154-V199 PolarHBondContact O-N 3.07Å; V156-V199 HydrophobicContact CG2-CG2 3.67Å; F188-V199 HydrophobicContact CE1-CG2 4.27Å; V199-W201 WeakPolarHBondContact CG1-O 3.27Å
200Q94.6Very high94.8Very high90 Ų9064.6 Ų64.642%0.42131%0.306SS..  trans-104.7-42.2174.8-174.2174.1-14.400111.6L187 T189 H198L187-Q200 PolarHBondContact O-N 2.91Å; T189-Q200 HydrophobicContact CG2-CB 3.93Å; T189-Q200 HydrophobicContact CG2-CG 3.86Å; H198-Q200 PolarHBondContact O-N 3.15Å
201W93Very high94.8Very high151 Ų15163.4 Ų63.457%0.57230%0.3SS*.SBendtrans-128.7159.6-178.5-124100.7000109.6L187 V199 V203L187-W201 HydrophobicContact CD2-CB 4.07Å; L187-W201 PolarHBondContact O-N 3.44Å; V199-W201 WeakPolarHBondContact CG1-O 3.27Å; W201-V203 PolarHBondContact O-N 3.26Å
202E90.5Very high94.8Very high128 Ų12864.3 Ų64.360%0.59830%0.304SS*.  trans-53.4132.7176.9-58.9174.1172.200110.9L187L187-E202 WeakPolarHBondContact CD2-O 3.35Å
203V93.6Very high94.8Very high7 Ų761.2 Ų61.24%0.04228%0.284CS..  trans-100139.4172.9178.60000106.2L146 E148 F188 W201 I211 V235L146-V203 HydrophobicContact CD2-CG2 4.05Å; E148-V203 CarbonylContact C-O 3.6Å; E148-V203 WeakPolarHBondContact CB-O 3.11Å; F188-V203 HydrophobicContact CZ-CG2 4.07Å; W201-V203 PolarHBondContact O-N 3.26Å; V203-I211 HydrophobicContact CG1-CD1 3.92Å; V203-V235 HydrophobicContact CG1-CB 4.43Å; V203-V235 HydrophobicContact CG1-CG1 3.77Å; V203-V235 HydrophobicContact CG1-CG2 3.71Å
204D92.7Very high94.9Very high55 Ų5555.9 Ų55.929%0.29426%0.258SS..  trans-131.2119.5-174.9174.5-28.7000106.7E206 I207 H208D204-E206 WeakPolarHBondContact OD1-CA 3.35Å; D204-E206 WeakPolarHBondContact OD1-CB 3.09Å; D204-E206 PolarHBondContact OD1-N 2.74Å; D204-I207 HydrophobicContact CB-CB 4.36Å; D204-I207 HydrophobicContact CB-CD1 4Å; D204-I207 HydrophobicContact CB-CG1 4.14Å; D204-I207 PolarHBondContact O-N 3.39Å; D204-I207 PolarHBondContact OD1-N 3.48Å; D204-I207 VanDerWaalsContact OD1-N 3.15Å; D204-I207 WeakPolarHBondContact OD2-CD1 3.4Å; D204-I207 WeakPolarHBondContact OD2-CG1 3.25Å; D204-H208 PolarHBondContact O-N 3.25Å
205Y95Very high95Very high37 Ų3753.2 Ų53.215%0.14524%0.242CC..THydrogen-bonded Turntrans-69.2-36.8-176.2178.1-91.7000111.4E148 I207 H208 K209 V235 D237 S278E148-Y205 VanDerWaalsContact CD-CB 3.41Å; E148-Y205 WeakPolarHBondContact OE1-CB 3.17Å; E148-Y205 WeakPolarHBondContact OE2-CB 3.17Å; E148-Y205 PolarHBondContact OE2-N 3.14Å; Y205-I207 PolarHBondContact O-N 3.28Å; Y205-H208 PolarHBondContact O-N 3Å; Y205-K209 HydrophobicContact CD1-CG 4.36Å; Y205-K209 HydrophobicContact CD2-CB 4.41Å; Y205-K209 HydrophobicContact CD2-CG 4.22Å; Y205-K209 HydrophobicContact CE1-CD 3.95Å; Y205-K209 HydrophobicContact CE1-CG 4.01Å; Y205-K209 HydrophobicContact CE2-CB 4.02Å; Y205-K209 HydrophobicContact CE2-CD 4.26Å; Y205-K209 HydrophobicContact CE2-CG 3.88Å; Y205-K209 HydrophobicContact CG-CG 4.45Å; Y205-K209 VanDerWaalsContact O-CG 3.28Å; Y205-K209 WeakPolarHBondContact O-CG 3.34Å; Y205-K209 PolarHBondContact O-N 3.43Å; Y205-K209 PolarHBondContact OH-NZ 3.15Å; Y205-V235 HydrophobicContact CD2-CB 3.99Å; Y205-V235 HydrophobicContact CD2-CG1 3.94Å; Y205-V235 VanDerWaalsContact CD2-O 3.22Å; Y205-V235 WeakPolarHBondContact CD2-O 3.29Å; Y205-V235 WeakPolarHBondContact CE2-O 3.43Å; Y205-V235 HydrophobicContact CG-CG1 4.41Å; Y205-D237 HydrophobicContact CD1-CB 3.75Å; Y205-D237 WeakPolarHBondContact CD1-OD1 3.35Å; Y205-D237 HydrophobicContact CD2-CB 4.04Å; Y205-D237 HydrophobicContact CE1-CB 3.73Å; Y205-D237 WeakPolarHBondContact CE1-OD1 3.07Å; Y205-D237 HydrophobicContact CE2-CB 4Å; Y205-D237 HydrophobicContact CG-CB 3.93Å; Y205-S278 WeakPolarHBondContact CE1-OG 3.38Å
206E93.8Very high95Very high51 Ų5154.1 Ų54.124%0.23825%0.246CC..THydrogen-bonded Turntrans-62.2-30.2176.6-77.955.5-110.700111.7D204 H241 K276D204-E206 WeakPolarHBondContact OD1-CA 3.35Å; D204-E206 WeakPolarHBondContact OD1-CB 3.09Å; D204-E206 PolarHBondContact OD1-N 2.74Å; E206-H241 IonicContact OE2-CE1 2.72Å; E206-H241 PolarHBondContact OE2-CE1 3.22Å; E206-H241 IonicContact OE2-ND1 3.08Å; E206-H241 PolarHBondContact OE2-ND1 3.1Å; E206-K276 HydrophobicContact CG-CB 3.88Å
207I92.3Very high95Very high110 Ų11049.8 Ų49.856%0.56423%0.229SC*.THydrogen-bonded Turntrans-86.9-49.2176.1-54.1175.9000111.1D204 Y205D204-I207 HydrophobicContact CB-CB 4.36Å; D204-I207 HydrophobicContact CB-CD1 4Å; D204-I207 HydrophobicContact CB-CG1 4.14Å; D204-I207 PolarHBondContact O-N 3.39Å; D204-I207 PolarHBondContact OD1-N 3.48Å; D204-I207 VanDerWaalsContact OD1-N 3.15Å; D204-I207 WeakPolarHBondContact OD2-CD1 3.4Å; D204-I207 WeakPolarHBondContact OD2-CG1 3.25Å; Y205-I207 PolarHBondContact O-N 3.28Å
208H93Very high94.9Very high49 Ų4950.8 Ų50.823%0.22724%0.237CC..  trans-138.789.6-171.9-57.4114000113.4E183 F184 D204 Y205 K210 I211 V235E183-H208 IonicContact OE1-NE2 2.84Å; F184-H208 HydrophobicContact CE1-CB 4.37Å; F184-H208 AromaticContact CE1-CD2 3.61Å; F184-H208 AromaticContact CE1-CG 3.86Å; F184-H208 AromaticContact CE1-NE2 3.85Å; D204-H208 PolarHBondContact O-N 3.25Å; Y205-H208 PolarHBondContact O-N 3Å; H208-K210 PolarHBondContact O-N 3.4Å; H208-K210 VanDerWaalsContact O-N 3.15Å; H208-I211 HydrophobicContact CB-CG1 4.18Å; H208-V235 WeakPolarHBondContact O-CG2 3.45Å
209K93.7Very high94.9Very high102 Ų10248.6 Ų48.644%0.44323%0.227SC..SBendtrans-62.7-21.8176-56.7-170.4175.9-145.20115.3Y205 V235 S278Y205-K209 HydrophobicContact CD1-CG 4.36Å; Y205-K209 HydrophobicContact CD2-CB 4.41Å; Y205-K209 HydrophobicContact CD2-CG 4.22Å; Y205-K209 HydrophobicContact CE1-CD 3.95Å; Y205-K209 HydrophobicContact CE1-CG 4.01Å; Y205-K209 HydrophobicContact CE2-CB 4.02Å; Y205-K209 HydrophobicContact CE2-CD 4.26Å; Y205-K209 HydrophobicContact CE2-CG 3.88Å; Y205-K209 HydrophobicContact CG-CG 4.45Å; Y205-K209 VanDerWaalsContact O-CG 3.28Å; Y205-K209 WeakPolarHBondContact O-CG 3.34Å; Y205-K209 PolarHBondContact O-N 3.43Å; Y205-K209 PolarHBondContact OH-NZ 3.15Å; K209-V235 PolarHBondContact O-N 2.73Å; K209-S278 PolarHBondContact NZ-OG 2.89Å
210K95.3Very high94.6Very high99 Ų9950.2 Ų50.243%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-147.4128-177.1179.8171.2170163.50110.5H208 E232H208-K210 PolarHBondContact O-N 3.4Å; H208-K210 VanDerWaalsContact O-N 3.15Å; K210-E232 WeakPolarHBondContact CE-OE1 3.26Å; K210-E232 WeakPolarHBondContact CE-OE2 3.15Å; K210-E232 IonicContact NZ-OE1 2.77Å; K210-E232 PolarHBondContact NZ-OE1 3.27Å; K210-E232 IonicContact NZ-OE2 3.91Å; K210-E232 PolarHBondContact NZ-OE2 3Å
211I96.1Very high94.3Very high0 Ų046.4 Ų46.40%023%0.228CC..EExtended strand (participates in β ladder)trans-119133.9-179.1-62167.7000108.9F184 L187 F188 V203 H208 L213 I233 V235F184-I211 HydrophobicContact CB-CG2 3.98Å; F184-I211 HydrophobicContact CD1-CG1 4.16Å; F184-I211 HydrophobicContact CD1-CG2 3.94Å; F184-I211 HydrophobicContact CD2-CG2 3.9Å; F184-I211 HydrophobicContact CE1-CG1 4.01Å; F184-I211 HydrophobicContact CE1-CG2 4.38Å; F184-I211 HydrophobicContact CE2-CG2 4.33Å; F184-I211 HydrophobicContact CG-CG2 3.69Å; F184-I211 HydrophobicContact CZ-CG1 4.44Å; L187-I211 HydrophobicContact CD1-CD1 3.94Å; F188-I211 HydrophobicContact CE2-CD1 3.97Å; F188-I211 HydrophobicContact CE2-CG2 3.86Å; F188-I211 HydrophobicContact CZ-CD1 3.97Å; V203-I211 HydrophobicContact CG1-CD1 3.92Å; H208-I211 HydrophobicContact CB-CG1 4.18Å; I211-L213 HydrophobicContact CG2-CD2 3.91Å; I211-L213 HydrophobicContact CG2-CG 4.3Å; I211-I233 HydrophobicContact CB-CB 4.2Å; I211-I233 HydrophobicContact CG2-CD1 4.44Å; I211-I233 PolarHBondContact N-O 3.32Å; I211-I233 PolarHBondContact O-N 3.25Å; I211-V235 HydrophobicContact CD1-CG2 3.91Å; I211-V235 HydrophobicContact CG1-CG2 4.25Å
212I96.5Very high94Very high72 Ų7244.8 Ų44.837%0.36924%0.24SC..EExtended strand (participates in β ladder)trans-122.2115.5179.4-56177.9000107.9I230 V231I212-I230 HydrophobicContact CG2-CG2 3.59Å; I212-V231 WeakPolarHBondContact CA-O 3.3Å
213L96.5Very high93.8Very high0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-102.3133.8174.3-50.3177.2000109.2T180 F184 F188 I197 I211 V215 V231 I233T180-L213 HydrophobicContact CG2-CD2 3.66Å; F184-L213 HydrophobicContact CB-CD2 3.84Å; F188-L213 HydrophobicContact CB-CD1 4.24Å; F188-L213 HydrophobicContact CD2-CD1 3.85Å; F188-L213 HydrophobicContact CD2-CD2 3.94Å; F188-L213 HydrophobicContact CD2-CG 4.44Å; F188-L213 HydrophobicContact CE2-CD1 4.45Å; F188-L213 HydrophobicContact CE2-CD2 4.39Å; F188-L213 HydrophobicContact CG-CD1 3.96Å; I197-L213 HydrophobicContact CD1-CD1 4.23Å; I197-L213 HydrophobicContact CG2-CD1 4.19Å; I211-L213 HydrophobicContact CG2-CD2 3.91Å; I211-L213 HydrophobicContact CG2-CG 4.3Å; L213-V215 HydrophobicContact CB-CG2 4.5Å; L213-V231 HydrophobicContact CB-CB 4.24Å; L213-V231 PolarHBondContact N-O 3.35Å; L213-V231 PolarHBondContact O-N 3.03Å; L213-I233 HydrophobicContact CD1-CD1 3.85Å; L213-I233 HydrophobicContact CG-CD1 4.27Å
214T96.8Very high93.7Very high25 Ų2548.2 Ų48.215%0.15327%0.266CS..EExtended strand (participates in β ladder)trans-97.2116.1166.5-55.30000107.7S177 L179 T180 T228 C229S177-T214 VanDerWaalsContact CB-O 3.24Å; S177-T214 WeakPolarHBondContact CB-O 3.45Å; S177-T214 PolarHBondContact N-O 2.84Å; L179-T214 HydrophobicContact CB-CG2 4.2Å; L179-T214 HydrophobicContact CD1-CG2 4.21Å; T180-T214 PolarHBondContact OG1-N 3.04Å; T180-T214 PolarHBondContact OG1-O 3.46Å; T214-T228 HydrophobicContact CG2-CG2 4.15Å; T214-C229 WeakPolarHBondContact CA-O 3.41Å
215V97.4Very high93.7Very high0 Ų050.7 Ų50.70%027%0.271CS..EExtended strand (participates in β ladder)trans-105.2134.6-178.7-179.90000109F137 V159 L190 I197 L213 T228 C229 V231F137-V215 HydrophobicContact CE1-CG1 4.48Å; F137-V215 HydrophobicContact CZ-CG1 4.16Å; V159-V215 HydrophobicContact CG2-CG1 3.89Å; L190-V215 HydrophobicContact CD1-CB 4.39Å; L190-V215 HydrophobicContact CD1-CG1 3.45Å; L190-V215 VanDerWaalsContact CD1-CG1 3.45Å; L190-V215 HydrophobicContact CD1-CG2 4.01Å; I197-V215 HydrophobicContact CD1-CG2 4.03Å; L213-V215 HydrophobicContact CB-CG2 4.5Å; V215-T228 CarbonylContact O-C 3.56Å; V215-T228 WeakPolarHBondContact O-CA 3.24Å; V215-C229 PolarHBondContact N-O 3Å; V215-C229 PolarHBondContact O-N 2.94Å; V215-V231 HydrophobicContact CG2-CG2 3.79Å
216E96.4Very high93.7Very high19 Ų1951.8 Ų51.89%0.08928%0.284CS..EExtended strand (participates in β ladder)trans-111.7129.6-179.1-173.5-175.1164.100109.8Y174 R175 S226 T227 T228Y174-E216 CarbonylContact C-O 3.33Å; Y174-E216 WeakPolarHBondContact CA-O 3.33Å; R175-E216 HydrophobicContact CG-CB 4.02Å; R175-E216 IonicContact CZ-OE1 2.69Å; R175-E216 IonicContact CZ-OE2 3.14Å; R175-E216 VanDerWaalsContact CZ-OE2 3.29Å; R175-E216 PolarHBondContact N-O 2.72Å; R175-E216 VanDerWaalsContact NE-CD 3.31Å; R175-E216 IonicContact NE-OE1 2.83Å; R175-E216 IonicContact NE-OE2 2.65Å; R175-E216 PolarHBondContact NE-OE2 2.82Å; R175-E216 IonicContact NH2-OE1 3.93Å; R175-E216 PolarHBondContact NH2-OE1 3.49Å; R175-E216 IonicContact NH2-OE2 2.79Å; R175-E216 PolarHBondContact NH2-OE2 3.43Å; R175-E216 PolarHBondContact O-N 2.99Å; E216-S226 WeakPolarHBondContact OE1-CB 3.42Å; E216-T227 CarbonylContact C-O 3.51Å; E216-T227 WeakPolarHBondContact CA-O 3.38Å; E216-T228 HydrophobicContact CB-CG2 4.08Å; E216-T228 HydrophobicContact CG-CG2 4.13Å
217A96.9Very high93.8Very high0 Ų051.7 Ų51.70%029%0.287CS..EExtended strand (participates in β ladder)trans-103.7125.1167.700000107.7P135 F137 A161 I172 Y174 S226 T227P135-A217 HydrophobicContact CB-CB 3.86Å; F137-A217 HydrophobicContact CE1-CB 4.08Å; F137-A217 HydrophobicContact CE2-CB 3.65Å; F137-A217 HydrophobicContact CZ-CB 3.39Å; A161-A217 HydrophobicContact CB-CB 3.88Å; I172-A217 HydrophobicContact CG2-CB 3.77Å; Y174-A217 HydrophobicContact CD1-CB 3.97Å; Y174-A217 HydrophobicContact CE1-CB 3.98Å; A217-S226 CarbonylContact O-C 3.54Å; A217-S226 WeakPolarHBondContact O-CA 3.2Å; A217-T227 PolarHBondContact N-O 2.83Å; A217-T227 PolarHBondContact O-N 3.37Å
218S95.7Very high94Very high22 Ų2249.9 Ų49.915%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-123.4133.4177.4177.90000108.8K173 R225K173-S218 PolarHBondContact N-O 2.79Å; K173-S218 PolarHBondContact O-N 2.82Å; S218-R225 WeakPolarHBondContact CA-O 3.24Å
219D95.8Very high94.2Very high4 Ų447.7 Ų47.72%0.02127%0.271CS..  trans-69.5175.2168.566.755.1000111.8N131 P135 N169 Q171 G221 P224 R225N131-D219 VanDerWaalsContact ND2-CG 3.28Å; N131-D219 PolarHBondContact ND2-OD1 3.35Å; N131-D219 PolarHBondContact ND2-OD2 2.81Å; N131-D219 PolarHBondContact OD1-OD2 2.72Å; P135-D219 HydrophobicContact CG-CB 4.16Å; N169-D219 WeakPolarHBondContact O-CB 3.35Å; Q171-D219 CarbonylContact O-C 3.57Å; D219-G221 PolarHBondContact OD1-N 3.21Å; D219-P224 WeakPolarHBondContact O-CB 3.1Å; D219-P224 WeakPolarHBondContact OD1-CA 3.34Å; D219-P224 WeakPolarHBondContact OD1-CB 3.11Å; D219-R225 PolarHBondContact N-O 2.76Å; D219-R225 PolarHBondContact OD1-N 3.14Å; D219-R225 VanDerWaalsContact OD2-CA 3.3Å; D219-R225 WeakPolarHBondContact OD2-CA 3.44Å; D219-R225 VanDerWaalsContact OD2-CB 3.23Å; D219-R225 WeakPolarHBondContact OD2-CB 3.47Å; D219-R225 PolarHBondContact OD2-N 2.85Å; D219-R225 VanDerWaalsContact OD2-O 3.1Å
220G91.1Very high94.4Very high33 Ų3346.2 Ų46.234%0.3427%0.267SS..  trans-99.616.6178.600000114.4S168 Q171S168-G220 CarbonylContact O-C 3.57Å; S168-G220 VanDerWaalsContact O-C 3.29Å; S168-G220 WeakPolarHBondContact O-CA 3.14Å; S168-G220 PolarHBondContact O-N 2.82Å; Q171-G220 PolarHBondContact O-N 3.43Å; Q171-G220 VanDerWaalsContact O-N 3.13Å
221G88.8Confident94.5Very high11 Ų1141.5 Ų41.511%0.11325%0.247CC..SBendtrans-66.5168.3-176.800000114.2N169 D219 L223 P224N169-G221 WeakPolarHBondContact OD1-CA 3.43Å; D219-G221 PolarHBondContact OD1-N 3.21Å; G221-L223 VanDerWaalsContact C-N 3.27Å; G221-L223 PolarHBondContact O-N 2.79Å; G221-P224 WeakPolarHBondContact O-CD 3.26Å
222S85.4Confident94.5Very high116 Ų11643.8 Ų43.881%0.81126%0.257SS*.SBendtrans-66-30.3178.563.50000113.3
223L87.7Confident94.6Very high132 Ų13240.3 Ų40.369%0.69124%0.24SC*.SBendtrans-12188.1164.1-71.4172.5000106.4N131 G221 R225N131-L223 PolarHBondContact ND2-O 2.93Å; G221-L223 VanDerWaalsContact C-N 3.27Å; G221-L223 PolarHBondContact O-N 2.79Å; L223-R225 PolarHBondContact O-N 3.42Å
224P91Very high94.6Very high76 Ų7642.7 Ų42.749%0.49425%0.254SS..  trans-67.8139.3-169.726.9-34.1000110.8D219 G221D219-P224 WeakPolarHBondContact O-CB 3.1Å; D219-P224 WeakPolarHBondContact OD1-CA 3.34Å; D219-P224 WeakPolarHBondContact OD1-CB 3.11Å; G221-P224 WeakPolarHBondContact O-CD 3.26Å
225R93.6Very high94.5Very high107 Ų10741.6 Ų41.640%0.40425%0.247SC..  trans-106.1146.7176.7-58.6179.459.4123.8-0.9108.8N131 D132 N133 S134 P135 S218 D219 L223N131-R225 VanDerWaalsContact O-CD 3.23Å; N131-R225 WeakPolarHBondContact O-CD 3.35Å; D132-R225 PolarHBondContact O-NE 3.1Å; D132-R225 PolarHBondContact O-NH1 3.38Å; N133-R225 WeakPolarHBondContact O-CD 3.47Å; N133-R225 PolarHBondContact O-NE 3.12Å; S134-R225 PolarHBondContact OG-NE 3.24Å; S134-R225 PolarHBondContact OG-NH2 3.23Å; S134-R225 VanDerWaalsContact OG-NH2 3.14Å; P135-R225 WeakPolarHBondContact CD-O 3.27Å; S218-R225 WeakPolarHBondContact CA-O 3.24Å; D219-R225 PolarHBondContact N-O 2.76Å; D219-R225 PolarHBondContact OD1-N 3.14Å; D219-R225 VanDerWaalsContact OD2-CA 3.3Å; D219-R225 WeakPolarHBondContact OD2-CA 3.44Å; D219-R225 VanDerWaalsContact OD2-CB 3.23Å; D219-R225 WeakPolarHBondContact OD2-CB 3.47Å; D219-R225 PolarHBondContact OD2-N 2.85Å; D219-R225 VanDerWaalsContact OD2-O 3.1Å; L223-R225 PolarHBondContact O-N 3.42Å
226S94.5Very high94.4Very high60 Ų6044.1 Ų44.142%0.4226%0.261SS..EExtended strand (participates in β ladder)trans-140.9141.5-169.7630000112.1E216 A217E216-S226 WeakPolarHBondContact OE1-CB 3.42Å; A217-S226 CarbonylContact O-C 3.54Å; A217-S226 WeakPolarHBondContact O-CA 3.2Å
227T96.2Very high94.3Very high48 Ų4844.6 Ų44.629%0.29426%0.264SS..EExtended strand (participates in β ladder)trans-125.6156.6172.9-59.90000109.2P135 F137 E216 A217P135-T227 WeakPolarHBondContact O-CB 3.22Å; P135-T227 PolarHBondContact O-OG1 3.21Å; F137-T227 HydrophobicContact CD2-CG2 4.31Å; F137-T227 WeakPolarHBondContact CE2-O 3.25Å; E216-T227 CarbonylContact C-O 3.51Å; E216-T227 WeakPolarHBondContact CA-O 3.38Å; A217-T227 PolarHBondContact N-O 2.83Å; A217-T227 PolarHBondContact O-N 3.37Å
228T96.7Very high94.2Very high72 Ų7247.4 Ų47.444%0.44228%0.277SS..EExtended strand (participates in β ladder)trans-121.9145.4178.158.60000112.5T214 V215 E216T214-T228 HydrophobicContact CG2-CG2 4.15Å; V215-T228 CarbonylContact O-C 3.56Å; V215-T228 WeakPolarHBondContact O-CA 3.24Å; E216-T228 HydrophobicContact CB-CG2 4.08Å; E216-T228 HydrophobicContact CG-CG2 4.13Å
229C96.7Very high94.1Very high4 Ų447.4 Ų47.43%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-123.5168.4166.871.60000111.2F137 Y142 T214 V215F137-C229 HydrophobicContact CB-CB 4.09Å; F137-C229 HydrophobicContact CD1-CB 4.21Å; F137-C229 HydrophobicContact CD2-CB 3.58Å; F137-C229 HydrophobicContact CE2-CB 3.97Å; F137-C229 HydrophobicContact CG-CB 3.7Å; F137-C229 HydrophobicContact CZ-CB 4.44Å; Y142-C229 HydrophobicContact CE2-CB 4.4Å; T214-C229 WeakPolarHBondContact CA-O 3.41Å; V215-C229 PolarHBondContact N-O 3Å; V215-C229 PolarHBondContact O-N 2.94Å
230I97.5Very high93.9Very high70 Ų7050.6 Ų50.636%0.35929%0.292SS..EExtended strand (participates in β ladder)trans-105.9132.7177.5-61.6177.6000109.8D140 T141 Y142 I212D140-I230 PolarHBondContact O-N 3.48Å; T141-I230 CarbonylContact C-O 3.55Å; T141-I230 VanDerWaalsContact CA-O 3.23Å; T141-I230 WeakPolarHBondContact CA-O 3.46Å; T141-I230 HydrophobicContact CG2-CB 4.32Å; T141-I230 HydrophobicContact CG2-CG2 4.28Å; Y142-I230 PolarHBondContact N-O 3.5Å; I212-I230 HydrophobicContact CG2-CG2 3.59Å
231V97.4Very high94Very high0 Ų051.4 Ų51.40%029%0.287CS..EExtended strand (participates in β ladder)trans-111.5110.6167.3-174.70000108Y142 I157 V159 I197 I212 L213 V215 I233Y142-V231 CarbonylContact O-C 3.55Å; Y142-V231 WeakPolarHBondContact O-CA 3.45Å; I157-V231 HydrophobicContact CG2-CG1 3.69Å; V159-V231 HydrophobicContact CG1-CG2 3.76Å; I197-V231 HydrophobicContact CD1-CB 4.34Å; I197-V231 HydrophobicContact CD1-CG1 4.21Å; I197-V231 HydrophobicContact CD1-CG2 3.85Å; I212-V231 WeakPolarHBondContact CA-O 3.3Å; L213-V231 HydrophobicContact CB-CB 4.24Å; L213-V231 PolarHBondContact N-O 3.35Å; L213-V231 PolarHBondContact O-N 3.03Å; V215-V231 HydrophobicContact CG2-CG2 3.79Å; V231-I233 HydrophobicContact CG1-CG1 4.11Å
232E97Very high94.3Very high48 Ų4853 Ų5322%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-95.7113.5176.5-179.2169.2148.900109.5T141 Y142 I143 V144 K210T141-E232 HydrophobicContact CG2-CB 4.45Å; Y142-E232 PolarHBondContact O-N 3.49Å; I143-E232 WeakPolarHBondContact CA-O 3.31Å; I143-E232 HydrophobicContact CG1-CB 4.38Å; V144-E232 PolarHBondContact N-O 3.07Å; K210-E232 WeakPolarHBondContact CE-OE1 3.26Å; K210-E232 WeakPolarHBondContact CE-OE2 3.15Å; K210-E232 IonicContact NZ-OE1 2.77Å; K210-E232 PolarHBondContact NZ-OE1 3.27Å; K210-E232 IonicContact NZ-OE2 3.91Å; K210-E232 PolarHBondContact NZ-OE2 3Å
233I97.2Very high94.8Very high0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-105.6114.4178.9-52.9171.5000107.8V144 L146 V156 F188 I211 L213 V231V144-I233 HydrophobicContact CG1-CB 4.29Å; V144-I233 HydrophobicContact CG1-CG1 3.79Å; V144-I233 HydrophobicContact CG1-CG2 4.34Å; V144-I233 CarbonylContact O-C 3.55Å; V144-I233 WeakPolarHBondContact O-CA 3.37Å; L146-I233 HydrophobicContact CB-CG2 3.62Å; L146-I233 HydrophobicContact CD2-CG2 4.15Å; V156-I233 HydrophobicContact CG1-CD1 4.23Å; V156-I233 HydrophobicContact CG1-CG1 4.48Å; F188-I233 HydrophobicContact CD1-CD1 4.32Å; F188-I233 HydrophobicContact CE1-CD1 3.72Å; F188-I233 HydrophobicContact CE2-CD1 4.04Å; F188-I233 HydrophobicContact CZ-CD1 3.56Å; I211-I233 HydrophobicContact CB-CB 4.2Å; I211-I233 HydrophobicContact CG2-CD1 4.44Å; I211-I233 PolarHBondContact N-O 3.32Å; I211-I233 PolarHBondContact O-N 3.25Å; L213-I233 HydrophobicContact CD1-CD1 3.85Å; L213-I233 HydrophobicContact CG-CD1 4.27Å; V231-I233 HydrophobicContact CG1-CG1 4.11Å
234T96.3Very high95Very high49 Ų4946.6 Ų46.630%0.30125%0.251SS..EExtended strand (participates in β ladder)trans-83.4120.7167.5-47.80000107.7V144 D145 L146V144-T234 PolarHBondContact O-N 2.61Å; D145-T234 CarbonylContact C-O 3.52Å; D145-T234 WeakPolarHBondContact CA-O 3.31Å; D145-T234 VanDerWaalsContact OD1-CB 3.32Å; D145-T234 WeakPolarHBondContact OD1-CB 3.43Å; D145-T234 PolarHBondContact OD1-OG1 2.82Å; L146-T234 PolarHBondContact N-O 2.82Å
235V95.9Very high95.1Very high2 Ų244.2 Ų44.21%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-81.5131.4175.2-173.70000107.9L146 E148 V203 Y205 H208 K209 I211L146-V235 CarbonylContact O-C 3.48Å; L146-V235 VanDerWaalsContact O-CA 3.29Å; L146-V235 WeakPolarHBondContact O-CA 3.37Å; E148-V235 HydrophobicContact CB-CG1 3.8Å; V203-V235 HydrophobicContact CG1-CB 4.43Å; V203-V235 HydrophobicContact CG1-CG1 3.77Å; V203-V235 HydrophobicContact CG1-CG2 3.71Å; Y205-V235 HydrophobicContact CD2-CB 3.99Å; Y205-V235 HydrophobicContact CD2-CG1 3.94Å; Y205-V235 VanDerWaalsContact CD2-O 3.22Å; Y205-V235 WeakPolarHBondContact CD2-O 3.29Å; Y205-V235 WeakPolarHBondContact CE2-O 3.43Å; Y205-V235 HydrophobicContact CG-CG1 4.41Å; H208-V235 WeakPolarHBondContact O-CG2 3.45Å; K209-V235 PolarHBondContact O-N 2.73Å; I211-V235 HydrophobicContact CD1-CG2 3.91Å; I211-V235 HydrophobicContact CG1-CG2 4.25Å
236L95.1Very high94.9Very high54 Ų5442.5 Ų42.528%0.28323%0.23SC..EExtended strand (participates in β ladder)trans-96.1128.1175.3-56.6-178.6000109.3D145 L146 E148D145-L236 HydrophobicContact CB-CD1 3.86Å; D145-L236 HydrophobicContact CB-CD2 4.12Å; D145-L236 HydrophobicContact CB-CG 3.98Å; L146-L236 PolarHBondContact O-N 2.66Å; E148-L236 PolarHBondContact N-O 3.37Å; E148-L236 VanDerWaalsContact N-O 3.15Å
237D94.6Very high94.7Very high29 Ų2941.8 Ų41.816%0.15522%0.22CC..PPolyproline II helixtrans-66.3131.4176.7-176.799.2000110.9E148 Y205 S278 N281E148-D237 WeakPolarHBondContact OE1-CA 3.43Å; Y205-D237 HydrophobicContact CD1-CB 3.75Å; Y205-D237 WeakPolarHBondContact CD1-OD1 3.35Å; Y205-D237 HydrophobicContact CD2-CB 4.04Å; Y205-D237 HydrophobicContact CE1-CB 3.73Å; Y205-D237 WeakPolarHBondContact CE1-OD1 3.07Å; Y205-D237 HydrophobicContact CE2-CB 4Å; Y205-D237 HydrophobicContact CG-CB 3.93Å; D237-S278 WeakPolarHBondContact OD1-CB 3.33Å; D237-S278 PolarHBondContact OD1-N 2.82Å; D237-S278 PolarHBondContact OD2-N 3.39Å; D237-N281 PolarHBondContact OD2-ND2 3.43Å
238E93.5Very high94Very high58 Ų5845.7 Ų45.727%0.27123%0.234SC..  trans-118.8147.7173.6-71.4-78.9137.800109.1H147 E148 N149 D240H147-E238 HydrophobicContact CB-CG 4.35Å; H147-E238 IonicContact CE1-OE1 3.32Å; H147-E238 PolarHBondContact CE1-OE1 2.77Å; H147-E238 IonicContact CG-OE1 2.73Å; H147-E238 IonicContact ND1-OE1 3.27Å; H147-E238 PolarHBondContact ND1-OE1 2.89Å; E148-E238 HydrophobicContact CG-CB 4.05Å; E148-E238 HydrophobicContact CG-CG 4.22Å; E148-E238 PolarHBondContact OE1-N 2.9Å; N149-E238 HydrophobicContact CB-CG 4.47Å; N149-E238 PolarHBondContact ND2-OE2 2.84Å; E238-D240 VanDerWaalsContact C-N 3.31Å; E238-D240 PolarHBondContact O-N 3.32Å
239N94.1Very high93Very high23 Ų2346.2 Ų46.212%0.12324%0.239CC..SBendtrans-75.679.1-178.6-166.827.3000111.7D277 N281 D353 P357 R359N239-D277 WeakPolarHBondContact CA-OD2 3.47Å; N239-D277 PolarHBondContact OD1-OD2 3.47Å; N239-N281 HydrophobicContact CB-CB 4.07Å; N239-D353 PolarHBondContact ND2-OD1 3.15Å; N239-D353 VanDerWaalsContact ND2-OD1 3.14Å; N239-D353 PolarHBondContact ND2-OD2 3.19Å; N239-D353 VanDerWaalsContact ND2-OD2 3.14Å; N239-D353 PolarHBondContact OD1-OD2 2.84Å; N239-P357 PolarHBondContact ND2-O 2.84Å; N239-R359 WeakPolarHBondContact O-CD 3.34Å; N239-R359 PolarHBondContact O-NH1 3.24Å
240D92.7Very high91.5Very high70 Ų7049.9 Ų49.937%0.37427%0.27SS..  trans-113.6-15.3-174.887.7-11.4000115E238 D277 R359E238-D240 VanDerWaalsContact C-N 3.31Å; E238-D240 PolarHBondContact O-N 3.32Å; D240-D277 PolarHBondContact N-OD2 3.47Å; D240-D277 VanDerWaalsContact N-OD2 3.16Å; D240-R359 PolarHBondContact O-NH1 3.46Å; D240-R359 PolarHBondContact O-NH2 3.4Å
241H92.7Very high89.6Confident50 Ų5055.4 Ų55.423%0.23129%0.294CS..SBendtrans-87.7177.4166.7-6687.3000111.1E206 D275 K276 D277 R359E206-H241 IonicContact OE2-CE1 2.72Å; E206-H241 PolarHBondContact OE2-CE1 3.22Å; E206-H241 IonicContact OE2-ND1 3.08Å; E206-H241 PolarHBondContact OE2-ND1 3.1Å; H241-D275 WeakPolarHBondContact CB-OD1 3.46Å; H241-K276 HydrophobicContact CB-CB 4.27Å; H241-D277 VanDerWaalsContact CB-OD1 3.23Å; H241-D277 WeakPolarHBondContact CB-OD1 3.33Å; H241-D277 IonicContact CE1-OD1 2.71Å; H241-D277 IonicContact CG-OD1 2.75Å; H241-D277 PolarHBondContact N-OD1 2.84Å; H241-D277 PolarHBondContact N-OD2 2.86Å; H241-D277 VanDerWaalsContact N-OD2 3.15Å; H241-D277 IonicContact ND1-OD1 3.67Å; H241-D277 PolarHBondContact ND1-OD1 2.98Å; H241-R359 WeakPolarHBondContact O-CD 3.21Å; H241-R359 PolarHBondContact O-NE 2.81Å
242S94.6Very high87.5Confident46 Ų4660.9 Ų60.932%0.32232%0.322SS..  trans-145.3151177.3-59.40000108E244 D275 R359S242-E244 PolarHBondContact O-N 2.77Å; S242-D275 WeakPolarHBondContact CA-OD2 3.36Å; S242-R359 WeakPolarHBondContact OG-CB 3.45Å; S242-R359 PolarHBondContact OG-NE 2.75Å; S242-R359 PolarHBondContact OG-NH2 2.79Å
243P95.4Very high85.6Confident3 Ų362.4 Ų62.42%0.01934%0.335CS..PPolyproline II helixtrans-60.1129.3-169.7-27.534.9000111.8D275 V284 C351 D353 S361P243-D275 WeakPolarHBondContact CA-OD2 3.31Å; P243-D275 WeakPolarHBondContact CD-OD2 3.33Å; P243-D275 WeakPolarHBondContact CG-OD2 3.45Å; P243-V284 HydrophobicContact CB-CB 4.41Å; P243-V284 HydrophobicContact CB-CG1 3.77Å; P243-V284 HydrophobicContact CG-CB 4.46Å; P243-V284 HydrophobicContact CG-CG1 3.74Å; P243-C351 HydrophobicContact CB-CB 4.01Å; P243-D353 HydrophobicContact CG-CB 4.21Å; P243-S361 WeakPolarHBondContact O-CB 3.14Å; P243-S361 PolarHBondContact O-OG 3.46Å
244E92.6Very high84.3Confident110 Ų11068 Ų6851%0.51437%0.365SS..EExtended strand (participates in β ladder)trans-97.1130.1173.8-165.5176.5167.900110.4S242 H246 A273 Q274S242-E244 PolarHBondContact O-N 2.77Å; E244-H246 IonicContact OE1-CE1 3.43Å; E244-H246 PolarHBondContact OE1-CE1 2.95Å; E244-H246 IonicContact OE1-ND1 2.83Å; E244-H246 IonicContact OE1-NE2 2.81Å; E244-H246 IonicContact OE2-CE1 3.24Å; E244-H246 IonicContact OE2-NE2 3.33Å; E244-A273 CarbonylContact O-C 3.56Å; E244-A273 VanDerWaalsContact O-CA 3.23Å; E244-A273 WeakPolarHBondContact O-CA 3.36Å; E244-Q274 PolarHBondContact N-O 3.4Å; E244-Q274 PolarHBondContact O-N 3.42Å
245I92.5Very high83.8Confident26 Ų2670 Ų7013%0.13337%0.368CS..EExtended strand (participates in β ladder)trans-96.9121.7-178.1-58.9171.5000109.4F247 F271 I349 C351I245-F247 HydrophobicContact CG2-CD2 4.28Å; I245-F247 HydrophobicContact CG2-CE1 4.27Å; I245-F247 HydrophobicContact CG2-CE2 3.74Å; I245-F247 HydrophobicContact CG2-CZ 3.73Å; I245-F271 HydrophobicContact CG2-CB 4.29Å; I245-F271 HydrophobicContact CG2-CD2 3.71Å; I245-F271 HydrophobicContact CG2-CE2 4.34Å; I245-F271 HydrophobicContact CG2-CG 4.2Å; I245-I349 HydrophobicContact CD1-CG2 4.21Å; I245-C351 HydrophobicContact CD1-CB 4.37Å; I245-C351 VanDerWaalsContact CD1-SG 3.53Å; I245-C351 HydrophobicContact CG1-CB 4.4Å; I245-C351 VanDerWaalsContact CG1-SG 3.58Å
246H90.3Very high83.5Confident71 Ų7170.6 Ų70.633%0.32937%0.372SS..EExtended strand (participates in β ladder)trans-114.8111.7179-60.2-71.2000110.6E244 F271 T272E244-H246 IonicContact OE1-CE1 3.43Å; E244-H246 PolarHBondContact OE1-CE1 2.95Å; E244-H246 IonicContact OE1-ND1 2.83Å; E244-H246 IonicContact OE1-NE2 2.81Å; E244-H246 IonicContact OE2-CE1 3.24Å; E244-H246 IonicContact OE2-NE2 3.33Å; H246-F271 CarbonylContact O-C 3.57Å; H246-F271 WeakPolarHBondContact O-CA 3.31Å; H246-F271 VanDerWaalsContact O-CB 3.26Å; H246-F271 WeakPolarHBondContact O-CB 3.33Å; H246-T272 PolarHBondContact N-O 2.92Å; H246-T272 PolarHBondContact O-N 3.31Å
247F89.2Confident83.3Confident45 Ų4572.8 Ų72.820%0.19738%0.384CS..EExtended strand (participates in β ladder)trans-83.2140.9175.3-64.7-79.5000111.3I245 P249 A250 A269 F271 I349 V365I245-F247 HydrophobicContact CG2-CD2 4.28Å; I245-F247 HydrophobicContact CG2-CE1 4.27Å; I245-F247 HydrophobicContact CG2-CE2 3.74Å; I245-F247 HydrophobicContact CG2-CZ 3.73Å; F247-P249 CarbonylContact O-C 3.5Å; F247-A250 WeakPolarHBondContact O-CA 3.33Å; F247-A250 PolarHBondContact O-N 3.22Å; F247-A269 HydrophobicContact CD1-CB 4.35Å; F247-F271 HydrophobicContact CD1-CB 3.54Å; F247-F271 HydrophobicContact CD1-CD1 4.18Å; F247-F271 HydrophobicContact CD1-CG 4.11Å; F247-F271 HydrophobicContact CE1-CB 3.86Å; F247-F271 AromaticContact CE1-CD1 3.82Å; F247-F271 HydrophobicContact CE1-CD1 3.82Å; F247-F271 AromaticContact CE1-CG 3.91Å; F247-F271 HydrophobicContact CE1-CG 3.91Å; F247-F271 HydrophobicContact CG-CB 4.17Å; F247-I349 HydrophobicContact CE1-CD1 3.85Å; F247-I349 HydrophobicContact CZ-CD1 3.97Å; F247-V365 HydrophobicContact CD1-CG2 3.81Å; F247-V365 HydrophobicContact CE1-CG2 3.17Å; F247-V365 HydrophobicContact CZ-CG2 3.63Å
248E81.1Confident83.2Confident130 Ų13071.4 Ų71.461%0.60738%0.377SS*.EExtended strand (participates in β ladder)trans-109.4131.1173.4-69.4-163.9165.100111.8V270E248-V270 PolarHBondContact N-O 2.86Å
249P76.9Confident83.2Confident82 Ų8270.2 Ų70.253%0.53237%0.374SS..SBendcis-79.7139.5-3.818.1-8.7000112.4F247 H251 L252F247-P249 CarbonylContact O-C 3.5Å; P249-H251 PolarHBondContact O-N 3Å; P249-L252 HydrophobicContact CG-CB 4.07Å; P249-L252 HydrophobicContact CG-CD1 4.13Å; P249-L252 HydrophobicContact CG-CD2 4.29Å; P249-L252 HydrophobicContact CG-CG 4.37Å; P249-L252 PolarHBondContact O-N 3.31Å
250A65.5Low83.2Confident82 Ų8269.3 Ų69.368%0.67837%0.369SS*.THydrogen-bonded Turntrans-63.3-7-175.100000115.6F247F247-A250 WeakPolarHBondContact O-CA 3.33Å; F247-A250 PolarHBondContact O-N 3.22Å
251H57.9Low83.2Confident186 Ų18671 Ų7186%0.86138%0.378SS*.THydrogen-bonded Turntrans-118.6-6.3-174.5-66.17.5000113.5P249P249-H251 PolarHBondContact O-N 3Å
252L52.2Low83.1Confident114 Ų11471.4 Ų71.460%0.59738%0.38SS*.SBendtrans-77.2139.3170.5-112.468.3000108.1P249 N254P249-L252 HydrophobicContact CG-CB 4.07Å; P249-L252 HydrophobicContact CG-CD1 4.13Å; P249-L252 HydrophobicContact CG-CD2 4.29Å; P249-L252 HydrophobicContact CG-CG 4.37Å; P249-L252 PolarHBondContact O-N 3.31Å; L252-N254 PolarHBondContact O-N 3.46Å
253T57Low83Confident81 Ų8177.1 Ų77.150%0.49740%0.399SS..  trans-35129.7167.651.70000110Y255T253-Y255 VanDerWaalsContact CB-CD1 3.47Å; T253-Y255 HydrophobicContact CG2-CD1 4.43Å; T253-Y255 HydrophobicContact CG2-CE1 3.76Å; T253-Y255 PolarHBondContact O-N 2.68Å; T253-Y255 WeakPolarHBondContact OG1-CD1 3.44Å; T253-Y255 WeakPolarHBondContact OG1-CE1 3.38Å
254N70.6Confident82.9Confident116 Ų11680.8 Ų80.862%0.6242%0.422SS*.SBendtrans-6227.9-176.3-72.8-6.1000114.8L252 I366L252-N254 PolarHBondContact O-N 3.46Å; N254-I366 PolarHBondContact O-N 2.87Å; N254-I366 VanDerWaalsContact O-N 3.09Å
255Y85Confident82.9Confident93 Ų9377.7 Ų77.737%0.36542%0.42SS..EExtended strand (participates in β ladder)trans-123.1141.3173.372.3-97.1000113.2T253 I366 R368T253-Y255 VanDerWaalsContact CB-CD1 3.47Å; T253-Y255 HydrophobicContact CG2-CD1 4.43Å; T253-Y255 HydrophobicContact CG2-CE1 3.76Å; T253-Y255 PolarHBondContact O-N 2.68Å; T253-Y255 WeakPolarHBondContact OG1-CD1 3.44Å; T253-Y255 WeakPolarHBondContact OG1-CE1 3.38Å; Y255-I366 CarbonylContact C-O 3.53Å; Y255-I366 WeakPolarHBondContact CA-O 3.24Å; Y255-I366 WeakPolarHBondContact CB-O 3.4Å; Y255-R368 HydrophobicContact CD2-CG 4.41Å
256A89.1Confident82.9Confident13 Ų1381.4 Ų81.411%0.10743%0.433CS..EExtended strand (participates in β ladder)trans-94.6141.8166.700000109.6V268 I366 R368A256-V268 HydrophobicContact CB-CB 4.43Å; A256-V268 HydrophobicContact CB-CG1 3.66Å; A256-V268 VanDerWaalsContact CB-O 3.24Å; A256-V268 WeakPolarHBondContact CB-O 3.46Å; A256-I366 PolarHBondContact N-O 2.81Å; A256-R368 PolarHBondContact O-N 3.04Å
257L91.4Very high83Confident100 Ų10082.1 Ų82.152%0.52444%0.438SS..EExtended strand (participates in β ladder)trans-103.5123.4172.6-164.970.9000109.2R368L257-R368 WeakPolarHBondContact CA-O 3.27Å; L257-R368 HydrophobicContact CD1-CB 3.98Å
258V93.6Very high83.2Confident1 Ų180.7 Ų80.71%0.00643%0.433CS..EExtended strand (participates in β ladder)trans-125.6112.1-178.5176.30000108.6E262 R266 V268 T333 F337 V367 R368 I369 S370V258-E262 HydrophobicContact CG1-CB 4.43Å; V258-R266 HydrophobicContact CG1-CG 4.31Å; V258-R266 HydrophobicContact CG2-CG 4.38Å; V258-V268 HydrophobicContact CG2-CG2 4.33Å; V258-T333 HydrophobicContact CG1-CG2 4.1Å; V258-T333 HydrophobicContact CG2-CG2 4.38Å; V258-F337 HydrophobicContact CG1-CD2 4.46Å; V258-V367 HydrophobicContact CB-CG1 4.24Å; V258-V367 HydrophobicContact CG2-CG1 3.68Å; V258-R368 PolarHBondContact N-O 3.33Å; V258-I369 HydrophobicContact CB-CD1 4.15Å; V258-I369 HydrophobicContact CG1-CD1 4.44Å; V258-I369 CarbonylContact O-C 3.57Å; V258-I369 WeakPolarHBondContact O-CA 3.43Å; V258-S370 PolarHBondContact O-N 3.19Å
259P93.7Very high83.7Confident32 Ų3275.1 Ų75.121%0.20841%0.409CS..EExtended strand (participates in β ladder)trans-58.6138.3170-19.728.6000111.6N261 E262 S370 V372P259-N261 VanDerWaalsContact C-N 3.27Å; P259-N261 WeakPolarHBondContact CB-OD1 3.46Å; P259-N261 PolarHBondContact O-N 3.04Å; P259-E262 HydrophobicContact CB-CG 3.97Å; P259-E262 HydrophobicContact CG-CG 4.03Å; P259-E262 VanDerWaalsContact O-CB 3.24Å; P259-E262 WeakPolarHBondContact O-CB 3.39Å; P259-E262 WeakPolarHBondContact O-CG 3.5Å; P259-E262 PolarHBondContact O-N 2.96Å; P259-E262 VanDerWaalsContact O-N 3.08Å; P259-S370 WeakPolarHBondContact CA-O 3.37Å; P259-S370 WeakPolarHBondContact CA-OG 3.45Å; P259-V372 HydrophobicContact CB-CG2 4.1Å
260E94.1Very high84.4Confident5 Ų573 Ų732%0.02340%0.395CS..THydrogen-bonded Turntrans-64.6-31.8-177.468.9-161.9113.400113.6E262 F337 R339 I369 S370 D371 V372E260-E262 PolarHBondContact O-N 2.78Å; E260-E262 VanDerWaalsContact O-N 3.15Å; E260-F337 CarbonylContact C-O 3.59Å; E260-F337 WeakPolarHBondContact CB-O 3.44Å; E260-R339 HydrophobicContact CB-CB 4.35Å; E260-R339 WeakPolarHBondContact OE2-CA 3.31Å; E260-R339 WeakPolarHBondContact OE2-CB 3.3Å; E260-R339 PolarHBondContact OE2-N 3.48Å; E260-I369 HydrophobicContact CB-CG2 3.66Å; E260-S370 PolarHBondContact N-O 2.68Å; E260-D371 WeakPolarHBondContact OE1-CA 3.19Å; E260-V372 HydrophobicContact CG-CB 3.89Å; E260-V372 HydrophobicContact CG-CG2 4Å; E260-V372 PolarHBondContact OE1-N 3.25Å
261N91.4Very high85.6Confident105 Ų10569 Ų6956%0.56136%0.362SS*.THydrogen-bonded Turntrans-73.70.817571.3-4.6000114.2P259 V372P259-N261 VanDerWaalsContact C-N 3.27Å; P259-N261 WeakPolarHBondContact CB-OD1 3.46Å; P259-N261 PolarHBondContact O-N 3.04Å; N261-V372 HydrophobicContact CB-CG1 4.29Å; N261-V372 HydrophobicContact CB-CG2 4.33Å
262E91.4Very high87.3Confident58 Ų5861.7 Ų61.727%0.27133%0.33SS..PPolyproline II helixtrans-69.4138176.1-78.3-75.2-158.400111.7V258 P259 E260 R266V258-E262 HydrophobicContact CG1-CB 4.43Å; P259-E262 HydrophobicContact CB-CG 3.97Å; P259-E262 HydrophobicContact CG-CG 4.03Å; P259-E262 VanDerWaalsContact O-CB 3.24Å; P259-E262 WeakPolarHBondContact O-CB 3.39Å; P259-E262 WeakPolarHBondContact O-CG 3.5Å; P259-E262 PolarHBondContact O-N 2.96Å; P259-E262 VanDerWaalsContact O-N 3.08Å; E260-E262 PolarHBondContact O-N 2.78Å; E260-E262 VanDerWaalsContact O-N 3.15Å; E262-R266 HydrophobicContact CB-CB 4.39Å; E262-R266 HydrophobicContact CG-CG 4.36Å; E262-R266 IonicContact OE1-CZ 3.68Å; E262-R266 IonicContact OE1-NE 2.9Å; E262-R266 IonicContact OE1-NH1 3.44Å; E262-R266 PolarHBondContact OE1-NH1 2.78Å
263K92.9Very high89.2Confident167 Ų16756.9 Ų56.973%0.72631%0.307SS*.PPolyproline II helixtrans-73.3158.2174-66.1-179.8-177.3175.90110.4G265K263-G265 PolarHBondContact O-N 3.48Å
264P93Very high90.9Very high79 Ų7959.1 Ų59.151%0.51331%0.312SS..THydrogen-bonded Turntrans-50138.3169-28.235.5000112.4
265G92.4Very high92Very high45 Ų4554.2 Ų54.246%0.46429%0.286SS..THydrogen-bonded Turntrans108.52179.800000114.9K263 L267 T333K263-G265 PolarHBondContact O-N 3.48Å; G265-L267 PolarHBondContact O-N 2.84Å; G265-T333 WeakPolarHBondContact CA-O 3.39Å; G265-T333 PolarHBondContact N-O 2.81Å; G265-T333 PolarHBondContact N-OG1 3.26Å
266R93.1Very high92.4Very high105 Ų10556 Ų5640%0.39630%0.296SS..  trans-61.7133.9175.6179.366.2-171.6-163.35.3110.5V258 E262 V268 T332 T333V258-R266 HydrophobicContact CG1-CG 4.31Å; V258-R266 HydrophobicContact CG2-CG 4.38Å; E262-R266 HydrophobicContact CB-CB 4.39Å; E262-R266 HydrophobicContact CG-CG 4.36Å; E262-R266 IonicContact OE1-CZ 3.68Å; E262-R266 IonicContact OE1-NE 2.9Å; E262-R266 IonicContact OE1-NH1 3.44Å; E262-R266 PolarHBondContact OE1-NH1 2.78Å; R266-V268 PolarHBondContact O-N 2.89Å; R266-T332 CarbonylContact O-C 3.57Å; R266-T332 WeakPolarHBondContact O-CA 3.43Å; R266-T332 VanDerWaalsContact O-CB 3.3Å; R266-T332 WeakPolarHBondContact O-CB 3.49Å; R266-T333 HydrophobicContact CB-CG2 4.03Å; R266-T333 WeakPolarHBondContact CB-OG1 3.47Å; R266-T333 PolarHBondContact N-OG1 3.07Å; R266-T333 VanDerWaalsContact N-OG1 3.08Å; R266-T333 PolarHBondContact O-N 2.95Å
267L92.2Very high92.7Very high85 Ų8555.8 Ų55.845%0.44529%0.293SS..EExtended strand (participates in β ladder)trans-68.8127174.8179.865.9000110.3G265 V270 K330G265-L267 PolarHBondContact O-N 2.84Å; L267-V270 HydrophobicContact CD1-CG2 3.83Å; L267-V270 HydrophobicContact CD2-CG2 4.22Å; L267-K330 HydrophobicContact CD1-CD 4.32Å; L267-K330 HydrophobicContact CD1-CG 3.59Å
268V92Very high92.7Very high15 Ų1552.4 Ų52.49%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-104.4-54.9178.31770000109.9A256 V258 R266 F316 L331 T333 V365 V367A256-V268 HydrophobicContact CB-CB 4.43Å; A256-V268 HydrophobicContact CB-CG1 3.66Å; A256-V268 VanDerWaalsContact CB-O 3.24Å; A256-V268 WeakPolarHBondContact CB-O 3.46Å; V258-V268 HydrophobicContact CG2-CG2 4.33Å; R266-V268 PolarHBondContact O-N 2.89Å; V268-F316 HydrophobicContact CG2-CD1 4.06Å; V268-F316 HydrophobicContact CG2-CE1 3.88Å; V268-L331 HydrophobicContact CB-CB 4.4Å; V268-L331 HydrophobicContact CB-CD2 4.16Å; V268-L331 HydrophobicContact CB-CG 4.01Å; V268-L331 WeakPolarHBondContact CB-O 3.33Å; V268-L331 HydrophobicContact CG1-CD2 3.8Å; V268-L331 HydrophobicContact CG1-CG 4.22Å; V268-L331 PolarHBondContact N-O 2.87Å; V268-T333 HydrophobicContact CG2-CG2 3.75Å; V268-V365 HydrophobicContact CG1-CG1 4.05Å; V268-V367 HydrophobicContact CG1-CG2 3.52Å
269A91.7Very high92.6Very high13 Ų1355.4 Ų55.411%0.10731%0.308CS..EExtended strand (participates in β ladder)trans-151.5154.4-179.600000111.3F247 L331 V365F247-A269 HydrophobicContact CD1-CB 4.35Å; A269-L331 HydrophobicContact CB-CB 4.32Å; A269-L331 HydrophobicContact CB-CD2 4.41Å; A269-L331 PolarHBondContact N-O 3Å; A269-L331 PolarHBondContact O-N 2.87Å; A269-V365 HydrophobicContact CB-CG1 4.08Å; A269-V365 HydrophobicContact CB-CG2 3.94Å
270V91.8Very high92.5Very high37 Ų3758.3 Ų58.322%0.22432%0.322CS..EExtended strand (participates in β ladder)trans-120.5134.1167.6-177.10000107.3E248 L267 I328 Y329E248-V270 PolarHBondContact N-O 2.86Å; L267-V270 HydrophobicContact CD1-CG2 3.83Å; L267-V270 HydrophobicContact CD2-CG2 4.22Å; V270-I328 HydrophobicContact CG1-CG2 3.32Å; V270-Y329 WeakPolarHBondContact CA-O 3.18Å
271F92.1Very high92.5Very high0 Ų059.7 Ų59.70%033%0.329CS..EExtended strand (participates in β ladder)trans-148.6158.2177.767.2-87.8000112.2I245 H246 F247 C286 L318 Y329 I349I245-F271 HydrophobicContact CG2-CB 4.29Å; I245-F271 HydrophobicContact CG2-CD2 3.71Å; I245-F271 HydrophobicContact CG2-CE2 4.34Å; I245-F271 HydrophobicContact CG2-CG 4.2Å; H246-F271 CarbonylContact O-C 3.57Å; H246-F271 WeakPolarHBondContact O-CA 3.31Å; H246-F271 VanDerWaalsContact O-CB 3.26Å; H246-F271 WeakPolarHBondContact O-CB 3.33Å; F247-F271 HydrophobicContact CD1-CB 3.54Å; F247-F271 HydrophobicContact CD1-CD1 4.18Å; F247-F271 HydrophobicContact CD1-CG 4.11Å; F247-F271 HydrophobicContact CE1-CB 3.86Å; F247-F271 AromaticContact CE1-CD1 3.82Å; F247-F271 HydrophobicContact CE1-CD1 3.82Å; F247-F271 AromaticContact CE1-CG 3.91Å; F247-F271 HydrophobicContact CE1-CG 3.91Å; F247-F271 HydrophobicContact CG-CB 4.17Å; F271-C286 HydrophobicContact CE2-CB 4.01Å; F271-C286 HydrophobicContact CZ-CB 4.36Å; F271-L318 HydrophobicContact CE1-CD1 3.63Å; F271-L318 HydrophobicContact CZ-CD1 3.78Å; F271-L318 HydrophobicContact CZ-CD2 4.38Å; F271-Y329 HydrophobicContact CD2-CD2 4.18Å; F271-Y329 HydrophobicContact CD2-CG 4.43Å; F271-Y329 AromaticContact CE2-CD2 3.75Å; F271-Y329 HydrophobicContact CE2-CD2 3.75Å; F271-Y329 AromaticContact CE2-CG 3.79Å; F271-Y329 HydrophobicContact CE2-CG 3.79Å; F271-Y329 HydrophobicContact CZ-CD2 4.29Å; F271-Y329 AromaticContact CZ-CG 3.84Å; F271-Y329 HydrophobicContact CZ-CG 3.84Å; F271-Y329 PolarHBondContact N-O 3.4Å; F271-Y329 PolarHBondContact O-N 3.49Å; F271-I349 HydrophobicContact CD1-CD1 4.06Å; F271-I349 HydrophobicContact CE1-CD1 3.46Å; F271-I349 VanDerWaalsContact CE1-CD1 3.46Å; F271-I349 HydrophobicContact CE1-CG1 4.26Å; F271-I349 HydrophobicContact CE2-CD1 4.49Å; F271-I349 HydrophobicContact CE2-CG2 3.9Å; F271-I349 HydrophobicContact CZ-CB 4.47Å; F271-I349 HydrophobicContact CZ-CD1 3.71Å; F271-I349 HydrophobicContact CZ-CG1 4.12Å; F271-I349 HydrophobicContact CZ-CG2 3.63Å
272T92.5Very high92.5Very high31 Ų3155.5 Ų55.519%0.1931%0.311CS..EExtended strand (participates in β ladder)trans-116158.7168.955.10000109.1H246 I328H246-T272 PolarHBondContact N-O 2.92Å; H246-T272 PolarHBondContact O-N 3.31Å; T272-I328 HydrophobicContact CG2-CG1 3.89Å
273A92.9Very high92.6Very high14 Ų1459.4 Ų59.412%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-122.2137.7166.300000108.5E244 V284 C286 C351E244-A273 CarbonylContact O-C 3.56Å; E244-A273 VanDerWaalsContact O-CA 3.23Å; E244-A273 WeakPolarHBondContact O-CA 3.36Å; A273-V284 HydrophobicContact CB-CB 4.4Å; A273-V284 HydrophobicContact CB-CG2 3.82Å; A273-V284 WeakPolarHBondContact O-CG2 3.46Å; A273-C286 WeakPolarHBondContact CB-SG 3.48Å; A273-C351 HydrophobicContact CB-CB 4.4Å
274Q91.8Very high92.6Very high128 Ų12852.2 Ų52.260%0.59829%0.294SS*.EExtended strand (participates in β ladder)trans-132133.4178.2-177.4172.28.100109.3E244E244-Q274 PolarHBondContact N-O 3.4Å; E244-Q274 PolarHBondContact O-N 3.42Å
275D94.5Very high92.6Very high12 Ų1250.3 Ų50.36%0.06428%0.282CS..  trans-111.6147.8167.9-154.2-45.2000108.6H241 S242 P243 D277 V284H241-D275 WeakPolarHBondContact CB-OD1 3.46Å; S242-D275 WeakPolarHBondContact CA-OD2 3.36Å; P243-D275 WeakPolarHBondContact CA-OD2 3.31Å; P243-D275 WeakPolarHBondContact CD-OD2 3.33Å; P243-D275 WeakPolarHBondContact CG-OD2 3.45Å; D275-D277 PolarHBondContact OD1-N 2.85Å; D275-V284 HydrophobicContact CB-CG1 3.64Å
276K93Very high92.7Very high132 Ų13248.6 Ų48.657%0.57426%0.263SS*.SBendtrans-86.6-25.2-176.1-68.1-175.1-176.5172.10112.2E206 H241E206-K276 HydrophobicContact CG-CB 3.88Å; H241-K276 HydrophobicContact CB-CB 4.27Å
277D94.9Very high92.8Very high8 Ų851.2 Ų51.24%0.04327%0.273CS..SBendtrans-62.7169.2177.2-60.3-11.3000110.4N239 D240 H241 D275 N281 G282N239-D277 WeakPolarHBondContact CA-OD2 3.47Å; N239-D277 PolarHBondContact OD1-OD2 3.47Å; D240-D277 PolarHBondContact N-OD2 3.47Å; D240-D277 VanDerWaalsContact N-OD2 3.16Å; H241-D277 VanDerWaalsContact CB-OD1 3.23Å; H241-D277 WeakPolarHBondContact CB-OD1 3.33Å; H241-D277 IonicContact CE1-OD1 2.71Å; H241-D277 IonicContact CG-OD1 2.75Å; H241-D277 PolarHBondContact N-OD1 2.84Å; H241-D277 PolarHBondContact N-OD2 2.86Å; H241-D277 VanDerWaalsContact N-OD2 3.15Å; H241-D277 IonicContact ND1-OD1 3.67Å; H241-D277 PolarHBondContact ND1-OD1 2.98Å; D275-D277 PolarHBondContact OD1-N 2.85Å; D277-N281 HydrophobicContact CB-CB 3.56Å; D277-G282 WeakPolarHBondContact O-CA 3.47Å
278S92.1Very high92.9Very high29 Ų2949 Ų4920%0.20326%0.262CS..  trans-107.6164-177.8-69.70000113.8Y205 K209 D237 D280 N281 G282Y205-S278 WeakPolarHBondContact CE1-OG 3.38Å; K209-S278 PolarHBondContact NZ-OG 2.89Å; D237-S278 WeakPolarHBondContact OD1-CB 3.33Å; D237-S278 PolarHBondContact OD1-N 2.82Å; D237-S278 PolarHBondContact OD2-N 3.39Å; S278-D280 PolarHBondContact O-N 3.19Å; S278-N281 WeakPolarHBondContact O-CB 3.44Å; S278-N281 PolarHBondContact O-N 3.18Å; S278-G282 PolarHBondContact O-N 3.4Å; S278-G282 VanDerWaalsContact O-N 3.14Å
279G90.9Very high92.9Very high63 Ų6348.7 Ų48.765%0.64926%0.26SS*.THydrogen-bonded Turntrans60.3-130.6177.500000113.1G282 R283G279-G282 PolarHBondContact O-N 3.5Å; G279-R283 WeakPolarHBondContact O-CB 3.07Å; G279-R283 PolarHBondContact O-N 2.96Å; G279-R283 VanDerWaalsContact O-N 3.16Å
280D92.7Very high92.8Very high94 Ų9453.5 Ų53.550%0.50328%0.28SS..THydrogen-bonded Turntrans-75.3-25.8179-75.9-33.6000112.8S278 G282 R283 Y354 G355S278-D280 PolarHBondContact O-N 3.19Å; D280-G282 VanDerWaalsContact C-N 3.31Å; D280-R283 PolarHBondContact O-N 3.4Å; D280-R283 IonicContact OD1-NH1 3.54Å; D280-Y354 CarbonylContact O-C 3.4Å; D280-Y354 WeakPolarHBondContact O-CA 3.34Å; D280-Y354 WeakPolarHBondContact O-CB 3.35Å; D280-Y354 PolarHBondContact O-N 2.94Å; D280-Y354 VanDerWaalsContact O-N 3.13Å; D280-G355 PolarHBondContact O-N 3.46Å
281N93.1Very high92.5Very high33 Ų3354.3 Ų54.318%0.17629%0.286CS..THydrogen-bonded Turntrans-65.7-38.4171.4-59.8-22.2000110.2D237 N239 D277 S278 D353 G355D237-N281 PolarHBondContact OD2-ND2 3.43Å; N239-N281 HydrophobicContact CB-CB 4.07Å; D277-N281 HydrophobicContact CB-CB 3.56Å; S278-N281 WeakPolarHBondContact O-CB 3.44Å; S278-N281 PolarHBondContact O-N 3.18Å; N281-D353 VanDerWaalsContact O-CB 3.23Å; N281-D353 WeakPolarHBondContact O-CB 3.14Å; N281-G355 WeakPolarHBondContact OD1-CA 3.37Å
282G92Very high92.1Very high18 Ų1864.5 Ų64.519%0.18632%0.324CS..SBendtrans-77.9-15.2174.600000116D277 S278 G279 D280D277-G282 WeakPolarHBondContact O-CA 3.47Å; S278-G282 PolarHBondContact O-N 3.4Å; S278-G282 VanDerWaalsContact O-N 3.14Å; G279-G282 PolarHBondContact O-N 3.5Å; D280-G282 VanDerWaalsContact C-N 3.31Å
283R92.5Very high91.9Very high140 Ų14069 Ų6953%0.52834%0.341SS..  trans-84.6128.4-172.9-174.3-175.1177.8177-0.7108.9G279 D280 D353 Y354G279-R283 WeakPolarHBondContact O-CB 3.07Å; G279-R283 PolarHBondContact O-N 2.96Å; G279-R283 VanDerWaalsContact O-N 3.16Å; D280-R283 PolarHBondContact O-N 3.4Å; D280-R283 IonicContact OD1-NH1 3.54Å; R283-D353 CarbonylContact O-C 3.56Å; R283-D353 WeakPolarHBondContact O-CA 3.44Å; R283-Y354 HydrophobicContact CB-CD2 3.84Å; R283-Y354 HydrophobicContact CG-CD2 3.54Å; R283-Y354 HydrophobicContact CG-CE2 3.82Å; R283-Y354 VanDerWaalsContact O-CD2 3.26Å; R283-Y354 WeakPolarHBondContact O-CD2 3.46Å; R283-Y354 PolarHBondContact O-N 2.95Å; R283-Y354 VanDerWaalsContact O-N 3.1Å
284V92.8Very high91.9Very high16 Ų1669.3 Ų69.310%0.09734%0.339CS..EExtended strand (participates in β ladder)trans-117.6149.1-174-56.50000113.1P243 A273 D275 S352P243-V284 HydrophobicContact CB-CB 4.41Å; P243-V284 HydrophobicContact CB-CG1 3.77Å; P243-V284 HydrophobicContact CG-CB 4.46Å; P243-V284 HydrophobicContact CG-CG1 3.74Å; A273-V284 HydrophobicContact CB-CB 4.4Å; A273-V284 HydrophobicContact CB-CG2 3.82Å; A273-V284 WeakPolarHBondContact O-CG2 3.46Å; D275-V284 HydrophobicContact CB-CG1 3.64Å; V284-S352 WeakPolarHBondContact CA-O 3.49Å
285S93.3Very high91.9Very high39 Ų3966.7 Ų66.727%0.27333%0.332SS..EExtended strand (participates in β ladder)trans-137.2122.9170.9-175.10000111C351 S352 Y354S285-C351 WeakPolarHBondContact O-CA 3.47Å; S285-S352 PolarHBondContact N-O 3.18Å; S285-S352 PolarHBondContact O-N 3.38Å; S285-Y354 WeakPolarHBondContact CB-OH 3.44Å
286C95.5Very high91.8Very high9 Ų967.9 Ų67.96%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-104.2144180-57.30000112.6F271 A273 Y329 I349 T350 C351F271-C286 HydrophobicContact CE2-CB 4.01Å; F271-C286 HydrophobicContact CZ-CB 4.36Å; A273-C286 WeakPolarHBondContact CB-SG 3.48Å; C286-Y329 HydrophobicContact CB-CD1 4.14Å; C286-Y329 HydrophobicContact CB-CD2 4.08Å; C286-Y329 HydrophobicContact CB-CE1 3.79Å; C286-Y329 HydrophobicContact CB-CE2 3.73Å; C286-Y329 HydrophobicContact CB-CG 4.28Å; C286-Y329 PolarHBondContact N-OH 2.87Å; C286-I349 HydrophobicContact CB-CG2 4.3Å; C286-T350 WeakPolarHBondContact CA-O 3.18Å; C286-C351 HydrophobicContact CB-CB 4.13Å; C286-C351 WeakPolarHBondContact CB-SG 3.44Å; C286-C351 WeakPolarHBondContact SG-CB 3.15Å; C286-C351 CovalentContact SG-SG 2.04Å; C286-C351 PolarHBondContact SG-SG 3Å
287R94.5Very high91.9Very high159 Ų15965.2 Ų65.260%0.633%0.329SS*.EExtended strand (participates in β ladder)trans-141.9160.7176.161.7-177.4178.2124.6-3.7111.3T350R287-T350 PolarHBondContact N-O 3.37Å; R287-T350 PolarHBondContact O-N 3.17Å
288L94.7Very high91.7Very high40 Ų4065.9 Ų65.921%0.20933%0.333CS..EExtended strand (participates in β ladder)trans-66.4135.2166.9-67.6176.1000109.7W294 F316 L318 L331 V347 I349L288-W294 HydrophobicContact CB-CZ2 4.26Å; L288-W294 HydrophobicContact CD1-CZ2 4.36Å; L288-W294 HydrophobicContact CD2-CZ2 4.49Å; L288-F316 HydrophobicContact CD1-CB 4.16Å; L288-F316 WeakPolarHBondContact CD1-O 3.23Å; L288-L318 HydrophobicContact CD1-CB 4.29Å; L288-L318 HydrophobicContact CD2-CB 4.49Å; L288-L318 HydrophobicContact CG-CB 3.99Å; L288-L331 HydrophobicContact CD2-CD1 3.82Å; L288-V347 HydrophobicContact CD2-CG1 3.7Å; L288-I349 HydrophobicContact CD2-CG1 4.25Å
289A92.4Very high91.4Very high8 Ų874.2 Ų74.27%0.06637%0.369CS..PPolyproline II helixtrans-68.5161.1171.800000110.4T291 K293 W294 W348A289-T291 PolarHBondContact O-N 3.38Å; A289-K293 HydrophobicContact CB-CB 4.46Å; A289-K293 HydrophobicContact CB-CD 4.25Å; A289-W294 PolarHBondContact O-NE1 2.89Å; A289-W348 HydrophobicContact CB-CB 3.74Å; A289-W348 VanDerWaalsContact CB-O 3.3Å; A289-W348 WeakPolarHBondContact CB-O 3.38Å; A289-W348 PolarHBondContact N-O 2.73Å
290E88.5Confident91.3Very high113 Ų11374.7 Ų74.753%0.52836%0.357SS..PPolyproline II helixtrans-53.3138.9172.2-68.8179.2-143.400111.2R292 K293E290-R292 PolarHBondContact O-N 3.01Å; E290-R292 IonicContact OE2-NE 2.75Å; E290-R292 PolarHBondContact OE2-NE 2.93Å; E290-K293 WeakPolarHBondContact O-CB 3.4Å; E290-K293 PolarHBondContact O-N 3.4Å
291T85.5Confident91Very high55 Ų5577.5 Ų77.534%0.33736%0.364SS..G310 helixtrans-56.5-24.8-178.150.80000113.3A289 K293 W294A289-T291 PolarHBondContact O-N 3.38Å; T291-K293 PolarHBondContact O-N 2.94Å; T291-W294 HydrophobicContact CG2-CD2 4.42Å; T291-W294 HydrophobicContact CG2-CE3 4.38Å; T291-W294 HydrophobicContact CG2-CH2 4.2Å; T291-W294 HydrophobicContact CG2-CZ2 4.25Å; T291-W294 HydrophobicContact CG2-CZ3 4.25Å; T291-W294 VanDerWaalsContact O-CB 3.27Å; T291-W294 WeakPolarHBondContact O-CB 3.34Å; T291-W294 PolarHBondContact O-N 2.84Å
292R84.1Confident90.8Very high213 Ų21383 Ų8380%0.80439%0.389SS*.G310 helixtrans-63.5-25.1174-51.6-175.5-132.8-121.1-0.6114.1E290 W294E290-R292 PolarHBondContact O-N 3.01Å; E290-R292 IonicContact OE2-NE 2.75Å; E290-R292 PolarHBondContact OE2-NE 2.93Å; R292-W294 VanDerWaalsContact C-N 3.29Å
293K87.8Confident90.4Very high127 Ų12786.5 Ų86.555%0.55240%0.399SS*.G310 helixtrans-81.5-13.5175.4-66.1-170.5177.5-177.20111.8A289 E290 T291 W348A289-K293 HydrophobicContact CB-CB 4.46Å; A289-K293 HydrophobicContact CB-CD 4.25Å; E290-K293 WeakPolarHBondContact O-CB 3.4Å; E290-K293 PolarHBondContact O-N 3.4Å; T291-K293 PolarHBondContact O-N 2.94Å; K293-W348 PolarHBondContact O-NE1 3.34Å
294W93Very high90.1Very high19 Ų1980.7 Ų80.77%0.07238%0.378CS..  trans-79.4152.9-179.4-55.79.3000110.3L288 A289 T291 R292 F296 L315 F316 I345 T346 V347L288-W294 HydrophobicContact CB-CZ2 4.26Å; L288-W294 HydrophobicContact CD1-CZ2 4.36Å; L288-W294 HydrophobicContact CD2-CZ2 4.49Å; A289-W294 PolarHBondContact O-NE1 2.89Å; T291-W294 HydrophobicContact CG2-CD2 4.42Å; T291-W294 HydrophobicContact CG2-CE3 4.38Å; T291-W294 HydrophobicContact CG2-CH2 4.2Å; T291-W294 HydrophobicContact CG2-CZ2 4.25Å; T291-W294 HydrophobicContact CG2-CZ3 4.25Å; T291-W294 VanDerWaalsContact O-CB 3.27Å; T291-W294 WeakPolarHBondContact O-CB 3.34Å; T291-W294 PolarHBondContact O-N 2.84Å; R292-W294 VanDerWaalsContact C-N 3.29Å; W294-F296 HydrophobicContact CB-CE2 3.76Å; W294-F296 HydrophobicContact CB-CZ 3.93Å; W294-F296 HydrophobicContact CE3-CE1 4.38Å; W294-F296 AromaticContact CE3-CZ 3.82Å; W294-F296 HydrophobicContact CE3-CZ 3.82Å; W294-L315 HydrophobicContact CZ3-CB 4.01Å; W294-L315 HydrophobicContact CZ3-CD1 4.07Å; W294-F316 HydrophobicContact CE3-CD2 4.46Å; W294-F316 HydrophobicContact CH2-CB 4.35Å; W294-F316 AromaticContact CH2-CD2 3.83Å; W294-F316 HydrophobicContact CH2-CD2 3.83Å; W294-F316 AromaticContact CZ3-CD2 3.55Å; W294-F316 HydrophobicContact CZ3-CD2 3.55Å; W294-F316 HydrophobicContact CZ3-CE2 4.09Å; W294-I345 HydrophobicContact CE3-CG2 4.38Å; W294-T346 WeakPolarHBondContact CA-O 3.45Å; W294-T346 WeakPolarHBondContact CB-O 3.08Å; W294-V347 HydrophobicContact CH2-CG1 4.42Å; W294-V347 HydrophobicContact CZ2-CG1 4.12Å
295T92Very high89.8Confident74 Ų7485.9 Ų85.945%0.45440%0.402SS..EExtended strand (participates in β ladder)trans-118.9134178.164.10000110I345 T346T295-I345 CarbonylContact O-C 3.59Å; T295-I345 WeakPolarHBondContact O-CA 3.46Å; T295-T346 PolarHBondContact N-O 3.01Å; T295-T346 PolarHBondContact O-N 3.36Å; T295-T346 WeakPolarHBondContact OG1-CB 3.41Å; T295-T346 PolarHBondContact OG1-OG1 3.13Å
296F93.8Very high89.3Confident37 Ų3789.2 Ų89.216%0.16242%0.417CS..EExtended strand (participates in β ladder)trans-121.4139.5-175.5-57.8-94.5000109.9W294 L304 L308 L315 I342 K344 I345W294-F296 HydrophobicContact CB-CE2 3.76Å; W294-F296 HydrophobicContact CB-CZ 3.93Å; W294-F296 HydrophobicContact CE3-CE1 4.38Å; W294-F296 AromaticContact CE3-CZ 3.82Å; W294-F296 HydrophobicContact CE3-CZ 3.82Å; F296-L304 HydrophobicContact CB-CD1 4.28Å; F296-L304 HydrophobicContact CB-CD2 3.56Å; F296-L304 HydrophobicContact CD1-CD1 3.9Å; F296-L304 HydrophobicContact CD2-CD1 4.19Å; F296-L304 HydrophobicContact CD2-CD2 3.88Å; F296-L304 HydrophobicContact CE1-CD1 4.27Å; F296-L304 HydrophobicContact CG-CD1 3.87Å; F296-L304 HydrophobicContact CG-CD2 3.79Å; F296-L304 HydrophobicContact CG-CG 4.48Å; F296-L308 HydrophobicContact CD2-CD1 4.4Å; F296-L308 HydrophobicContact CE2-CD1 3.9Å; F296-L308 HydrophobicContact CE2-CD2 4.09Å; F296-L308 HydrophobicContact CZ-CD1 4.43Å; F296-L308 HydrophobicContact CZ-CD2 3.79Å; F296-L315 HydrophobicContact CE1-CD1 3.73Å; F296-L315 HydrophobicContact CZ-CD1 4.05Å; F296-I342 HydrophobicContact CD1-CD1 4.41Å; F296-I342 HydrophobicContact CD1-CG2 4.38Å; F296-K344 CarbonylContact C-O 3.52Å; F296-K344 WeakPolarHBondContact CA-O 3.25Å; F296-I345 HydrophobicContact CD1-CB 4.36Å; F296-I345 HydrophobicContact CD1-CD1 4.36Å; F296-I345 HydrophobicContact CD1-CG1 3.91Å; F296-I345 HydrophobicContact CD1-CG2 3.83Å; F296-I345 HydrophobicContact CE1-CD1 4.34Å; F296-I345 HydrophobicContact CE1-CG1 4.25Å; F296-I345 HydrophobicContact CE1-CG2 3.59Å; F296-I345 HydrophobicContact CZ-CG2 4.31Å
297D93.2Very high88.7Confident76 Ų7690.7 Ų90.741%0.40642%0.424SS..EExtended strand (participates in β ladder)trans-103.797.5175.7-152.3-18.6000108.1S343 K344D297-S343 PolarHBondContact O-N 2.78Å; D297-S343 VanDerWaalsContact O-N 3.1Å; D297-K344 HydrophobicContact CB-CB 3.67Å; D297-K344 PolarHBondContact N-O 2.89Å; D297-K344 IonicContact OD2-NZ 2.68Å; D297-K344 PolarHBondContact OD2-NZ 3.24Å
298T91Very high88.1Confident22 Ų2285.9 Ų85.914%0.13541%0.41CS..  trans-149.7145.2-176.1179.10000110.6N300 L304 F341T298-N300 PolarHBondContact OG1-N 2.75Å; T298-N300 VanDerWaalsContact OG1-N 3.13Å; T298-L304 HydrophobicContact CG2-CB 4.14Å; T298-L304 HydrophobicContact CG2-CD2 3.7Å; T298-L304 HydrophobicContact CG2-CG 4.45Å; T298-F341 WeakPolarHBondContact CB-O 3.39Å; T298-F341 PolarHBondContact OG1-O 2.82Å
299Q86.6Confident87.4Confident203 Ų20390.4 Ų90.495%0.94943%0.433SS*.SBendtrans-82-23.1172.3-60.2-172.810.400112.2K301Q299-K301 PolarHBondContact O-N 3.02Å
300N88.9Confident86.6Confident74 Ų7492.9 Ų92.940%0.39645%0.445SS..  trans-104.577.9-175-171.5-14.2000111.4T298 E302 K303 L304 F341T298-N300 PolarHBondContact OG1-N 2.75Å; T298-N300 VanDerWaalsContact OG1-N 3.13Å; N300-E302 VanDerWaalsContact C-N 3.31Å; N300-E302 PolarHBondContact O-N 2.98Å; N300-K303 HydrophobicContact CB-CB 4.4Å; N300-K303 PolarHBondContact O-N 2.89Å; N300-K303 WeakPolarHBondContact OD1-CB 3.41Å; N300-K303 PolarHBondContact OD1-N 2.95Å; N300-L304 PolarHBondContact O-N 3.27Å; N300-F341 HydrophobicContact CB-CD2 4.15Å; N300-F341 HydrophobicContact CB-CE2 3.93Å
301K86Confident85.7Confident152 Ų15293.4 Ų93.466%0.66146%0.458SS*.Hα-helixtrans-62.8-33.8-178.3-65.9-177179.9178.70113.4Q299 L304 E305Q299-K301 PolarHBondContact O-N 3.02Å; K301-L304 WeakPolarHBondContact O-CB 3.38Å; K301-L304 PolarHBondContact O-N 3.33Å; K301-E305 WeakPolarHBondContact O-CG 3.43Å; K301-E305 PolarHBondContact O-N 3.39Å
302E87.9Confident85.2Confident149 Ų14996 Ų9670%0.69647%0.474SS*.Hα-helixtrans-67.5-45.2-179.9-66.1-177.7177.400111.9N300 L304 E305 N306N300-E302 VanDerWaalsContact C-N 3.31Å; N300-E302 PolarHBondContact O-N 2.98Å; E302-L304 VanDerWaalsContact C-N 3.26Å; E302-L304 PolarHBondContact O-N 3.06Å; E302-E305 PolarHBondContact O-N 2.93Å; E302-N306 PolarHBondContact O-N 2.8Å; E302-N306 PolarHBondContact O-ND2 3.24Å; E302-N306 VanDerWaalsContact O-ND2 3.16Å
303K85.4Confident84.8Confident91 Ų9189.4 Ų89.440%0.39645%0.453SS..Hα-helixtrans-62.3-36.9174.3-176.1-178.4166.8-165.70110.6N300 N306 L307 D338 F341N300-K303 HydrophobicContact CB-CB 4.4Å; N300-K303 PolarHBondContact O-N 2.89Å; N300-K303 WeakPolarHBondContact OD1-CB 3.41Å; N300-K303 PolarHBondContact OD1-N 2.95Å; K303-N306 PolarHBondContact O-N 2.94Å; K303-L307 WeakPolarHBondContact O-CB 3.35Å; K303-L307 PolarHBondContact O-N 3.48Å; K303-D338 IonicContact NZ-OD2 2.58Å; K303-F341 HydrophobicContact CB-CE2 3.59Å; K303-F341 HydrophobicContact CB-CZ 3.73Å; K303-F341 HydrophobicContact CD-CD1 4.33Å; K303-F341 HydrophobicContact CD-CD2 3.73Å; K303-F341 HydrophobicContact CD-CE1 4.08Å; K303-F341 HydrophobicContact CD-CE2 3.48Å; K303-F341 VanDerWaalsContact CD-CE2 3.48Å; K303-F341 HydrophobicContact CD-CG 4.18Å; K303-F341 HydrophobicContact CD-CZ 3.66Å; K303-F341 HydrophobicContact CG-CD2 4.36Å; K303-F341 HydrophobicContact CG-CE1 4.09Å; K303-F341 HydrophobicContact CG-CE2 3.6Å; K303-F341 HydrophobicContact CG-CZ 3.43Å; K303-F341 VanDerWaalsContact CG-CZ 3.43Å
304L85.8Confident84.8Confident18 Ų1888.4 Ų88.49%0.09445%0.452CS..Hα-helixtrans-65.9-44.4175.2177.968.5000112.1F296 T298 N300 K301 E302 N306 L307 L308 F341 I342F296-L304 HydrophobicContact CB-CD1 4.28Å; F296-L304 HydrophobicContact CB-CD2 3.56Å; F296-L304 HydrophobicContact CD1-CD1 3.9Å; F296-L304 HydrophobicContact CD2-CD1 4.19Å; F296-L304 HydrophobicContact CD2-CD2 3.88Å; F296-L304 HydrophobicContact CE1-CD1 4.27Å; F296-L304 HydrophobicContact CG-CD1 3.87Å; F296-L304 HydrophobicContact CG-CD2 3.79Å; F296-L304 HydrophobicContact CG-CG 4.48Å; T298-L304 HydrophobicContact CG2-CB 4.14Å; T298-L304 HydrophobicContact CG2-CD2 3.7Å; T298-L304 HydrophobicContact CG2-CG 4.45Å; N300-L304 PolarHBondContact O-N 3.27Å; K301-L304 WeakPolarHBondContact O-CB 3.38Å; K301-L304 PolarHBondContact O-N 3.33Å; E302-L304 VanDerWaalsContact C-N 3.26Å; E302-L304 PolarHBondContact O-N 3.06Å; L304-N306 VanDerWaalsContact C-N 3.29Å; L304-N306 PolarHBondContact O-N 3.11Å; L304-L307 HydrophobicContact CD1-CD2 4.28Å; L304-L307 WeakPolarHBondContact O-CB 3.15Å; L304-L307 PolarHBondContact O-N 3.05Å; L304-L308 HydrophobicContact CD1-CD1 4.07Å; L304-L308 HydrophobicContact CD1-CG 4.06Å; L304-L308 HydrophobicContact CD2-CD1 4.46Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.29Å; L304-L308 VanDerWaalsContact O-CG 3.29Å; L304-L308 WeakPolarHBondContact O-CG 3.38Å; L304-L308 PolarHBondContact O-N 3.14Å; L304-F341 HydrophobicContact CB-CZ 4.24Å; L304-I342 HydrophobicContact CD1-CD1 3.92Å
305E85.2Confident84.7Confident126 Ų12688.1 Ų88.159%0.58945%0.452SS*.Hα-helixtrans-60.1-42176.8-76.4-179.7179.300111.3K301 E302 L308 L309K301-E305 WeakPolarHBondContact O-CG 3.43Å; K301-E305 PolarHBondContact O-N 3.39Å; E302-E305 PolarHBondContact O-N 2.93Å; E305-L308 PolarHBondContact O-N 2.91Å; E305-L309 WeakPolarHBondContact O-CB 3.18Å; E305-L309 WeakPolarHBondContact O-CD1 3.48Å; E305-L309 WeakPolarHBondContact O-CG 3.38Å; E305-L309 PolarHBondContact O-N 3.26Å
306N84.1Confident84.8Confident109 Ų10984.8 Ų84.858%0.58343%0.431SS*.Hα-helixtrans-63.8-40.5175.5-69.9-36.2000112.9E302 K303 L304 L309 N310E302-N306 PolarHBondContact O-N 2.8Å; E302-N306 PolarHBondContact O-ND2 3.24Å; E302-N306 VanDerWaalsContact O-ND2 3.16Å; K303-N306 PolarHBondContact O-N 2.94Å; L304-N306 VanDerWaalsContact C-N 3.29Å; L304-N306 PolarHBondContact O-N 3.11Å; N306-L309 PolarHBondContact O-N 3.28Å; N306-N310 PolarHBondContact O-N 3.47Å
307L82Confident84.8Confident40 Ų4085.6 Ų85.621%0.20944%0.442CS..Hα-helixtrans-59.7-49.9174.3-167.187.5000110.4K303 L304 L309 N310 E313 L315 F341 I342K303-L307 WeakPolarHBondContact O-CB 3.35Å; K303-L307 PolarHBondContact O-N 3.48Å; L304-L307 HydrophobicContact CD1-CD2 4.28Å; L304-L307 WeakPolarHBondContact O-CB 3.15Å; L304-L307 PolarHBondContact O-N 3.05Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 2.91Å; L307-N310 WeakPolarHBondContact O-CB 3.28Å; L307-N310 PolarHBondContact O-N 3.43Å; L307-N310 VanDerWaalsContact O-N 3.11Å; L307-E313 WeakPolarHBondContact CA-OE2 3.1Å; L307-E313 WeakPolarHBondContact CD1-OE2 3.29Å; L307-E313 WeakPolarHBondContact CG-OE2 3.4Å; L307-L315 HydrophobicContact CD2-CD2 4.12Å; L307-F341 HydrophobicContact CD2-CE1 4.32Å; L307-I342 HydrophobicContact CD2-CD1 4.33Å
308L83Confident84.8Confident58 Ų5883.8 Ų83.830%0.30443%0.432SS..Hα-helixtrans-70.6-21.7-177.8-64.8178.7000114.1F296 L304 E305 N310 L315F296-L308 HydrophobicContact CD2-CD1 4.4Å; F296-L308 HydrophobicContact CE2-CD1 3.9Å; F296-L308 HydrophobicContact CE2-CD2 4.09Å; F296-L308 HydrophobicContact CZ-CD1 4.43Å; F296-L308 HydrophobicContact CZ-CD2 3.79Å; L304-L308 HydrophobicContact CD1-CD1 4.07Å; L304-L308 HydrophobicContact CD1-CG 4.06Å; L304-L308 HydrophobicContact CD2-CD1 4.46Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.29Å; L304-L308 VanDerWaalsContact O-CG 3.29Å; L304-L308 WeakPolarHBondContact O-CG 3.38Å; L304-L308 PolarHBondContact O-N 3.14Å; E305-L308 PolarHBondContact O-N 2.91Å; L308-N310 VanDerWaalsContact C-N 3.31Å; L308-L315 HydrophobicContact CD2-CD1 4.42Å
309L79.1Confident85Confident134 Ų13487.7 Ų87.770%0.70245%0.448SS*.Hα-helixtrans-76.8-17.9173.5-76.3165.4000112.5E305 N306 L307 P311E305-L309 WeakPolarHBondContact O-CB 3.18Å; E305-L309 WeakPolarHBondContact O-CD1 3.48Å; E305-L309 WeakPolarHBondContact O-CG 3.38Å; E305-L309 PolarHBondContact O-N 3.26Å; N306-L309 PolarHBondContact O-N 3.28Å; L307-L309 VanDerWaalsContact C-N 3.29Å; L307-L309 PolarHBondContact O-N 2.91Å; L309-P311 VanDerWaalsContact O-CD 3.23Å; L309-P311 WeakPolarHBondContact O-CD 3.37Å
310N75.7Confident85.3Confident61 Ų6183.1 Ų83.133%0.32643%0.427SS..  trans-82.9108.1-177.3-164.42.6000110.9N306 L307 L308 T312 E313N306-N310 PolarHBondContact O-N 3.47Å; L307-N310 WeakPolarHBondContact O-CB 3.28Å; L307-N310 PolarHBondContact O-N 3.43Å; L307-N310 VanDerWaalsContact O-N 3.11Å; L308-N310 VanDerWaalsContact C-N 3.31Å; N310-T312 PolarHBondContact O-N 2.95Å; N310-T312 VanDerWaalsContact O-N 3.1Å; N310-T312 PolarHBondContact OD1-OG1 3.27Å; N310-E313 HydrophobicContact CB-CB 4.32Å; N310-E313 HydrophobicContact CB-CG 4.13Å; N310-E313 PolarHBondContact ND2-OE1 2.56Å; N310-E313 PolarHBondContact O-N 2.95Å; N310-E313 VanDerWaalsContact O-N 3.1Å
311P70.2Confident85.4Confident123 Ų12383.6 Ų83.680%0.79943%0.428SS*.THydrogen-bonded Turntrans-68.2-14-174.827.9-34.5000113.5L309L309-P311 VanDerWaalsContact O-CD 3.23Å; L309-P311 WeakPolarHBondContact O-CD 3.37Å
312T74.2Confident85.6Confident110 Ų11082.8 Ų82.868%0.67543%0.426SS*.THydrogen-bonded Turntrans-84-12.1176.3560000113.3N310 I314N310-T312 PolarHBondContact O-N 2.95Å; N310-T312 VanDerWaalsContact O-N 3.1Å; N310-T312 PolarHBondContact OD1-OG1 3.27Å; T312-I314 PolarHBondContact O-N 2.83Å
313E76.2Confident85.3Confident74 Ų7480 Ų8035%0.34642%0.415SS..  trans-88.9101.2-177.2-77.7172.6-16500111.4L307 N310L307-E313 WeakPolarHBondContact CA-OE2 3.1Å; L307-E313 WeakPolarHBondContact CD1-OE2 3.29Å; L307-E313 WeakPolarHBondContact CG-OE2 3.4Å; N310-E313 HydrophobicContact CB-CB 4.32Å; N310-E313 HydrophobicContact CB-CG 4.13Å; N310-E313 PolarHBondContact ND2-OE1 2.56Å; N310-E313 PolarHBondContact O-N 2.95Å; N310-E313 VanDerWaalsContact O-N 3.1Å
314I86.7Confident85.1Confident106 Ų10680.9 Ų80.954%0.54443%0.429SS..  trans-99.4110.2174.6-54.8173.5000107.4T312 F316 A334 S335T312-I314 PolarHBondContact O-N 2.83Å; I314-F316 WeakPolarHBondContact CG2-O 3.37Å; I314-A334 HydrophobicContact CB-CB 4.22Å; I314-A334 HydrophobicContact CG2-CB 3.79Å; I314-A334 CarbonylContact O-C 3.29Å; I314-A334 WeakPolarHBondContact O-CB 3.38Å; I314-S335 PolarHBondContact O-OG 3.34Å
315L90.8Very high84.8Confident14 Ų1490 Ų907%0.07347%0.469CS..  trans-77.5-39179.7-61.4179.2000112.3W294 F296 L307 L308 A334 S335 F337W294-L315 HydrophobicContact CZ3-CB 4.01Å; W294-L315 HydrophobicContact CZ3-CD1 4.07Å; F296-L315 HydrophobicContact CE1-CD1 3.73Å; F296-L315 HydrophobicContact CZ-CD1 4.05Å; L307-L315 HydrophobicContact CD2-CD2 4.12Å; L308-L315 HydrophobicContact CD2-CD1 4.42Å; L315-A334 PolarHBondContact O-N 3.27Å; L315-S335 PolarHBondContact O-N 2.82Å; L315-F337 HydrophobicContact CB-CE1 4.46Å; L315-F337 HydrophobicContact CB-CZ 4.4Å; L315-F337 HydrophobicContact CD2-CE1 4.22Å
316F94.2Very high84.8Confident3 Ų386.8 Ų86.81%0.01346%0.46CS..EExtended strand (participates in β ladder)trans-134147.4179.9-62.8-87.4000111.4V268 L288 W294 I314 L331 T332 T333 F337 I345 V347 V367V268-F316 HydrophobicContact CG2-CD1 4.06Å; V268-F316 HydrophobicContact CG2-CE1 3.88Å; L288-F316 HydrophobicContact CD1-CB 4.16Å; L288-F316 WeakPolarHBondContact CD1-O 3.23Å; W294-F316 HydrophobicContact CE3-CD2 4.46Å; W294-F316 HydrophobicContact CH2-CB 4.35Å; W294-F316 AromaticContact CH2-CD2 3.83Å; W294-F316 HydrophobicContact CH2-CD2 3.83Å; W294-F316 AromaticContact CZ3-CD2 3.55Å; W294-F316 HydrophobicContact CZ3-CD2 3.55Å; W294-F316 HydrophobicContact CZ3-CE2 4.09Å; I314-F316 WeakPolarHBondContact CG2-O 3.37Å; F316-L331 HydrophobicContact CB-CD1 3.89Å; F316-L331 HydrophobicContact CD1-CD1 4.47Å; F316-L331 HydrophobicContact CG-CD1 4.48Å; F316-T332 CarbonylContact C-O 3.49Å; F316-T332 WeakPolarHBondContact CA-O 3.24Å; F316-T333 HydrophobicContact CE1-CG2 4.2Å; F316-F337 HydrophobicContact CE1-CE2 4.28Å; F316-F337 HydrophobicContact CE1-CZ 4.08Å; F316-F337 HydrophobicContact CE2-CE1 4.46Å; F316-F337 AromaticContact CE2-CZ 3.87Å; F316-F337 HydrophobicContact CE2-CZ 3.87Å; F316-F337 HydrophobicContact CZ-CE1 4.37Å; F316-F337 HydrophobicContact CZ-CE2 4.12Å; F316-F337 AromaticContact CZ-CZ 3.57Å; F316-F337 HydrophobicContact CZ-CZ 3.57Å; F316-I345 HydrophobicContact CE2-CB 4.48Å; F316-I345 HydrophobicContact CE2-CD1 4.11Å; F316-I345 HydrophobicContact CE2-CG2 3.98Å; F316-I345 HydrophobicContact CZ-CD1 4.16Å; F316-I345 HydrophobicContact CZ-CG2 4.47Å; F316-V347 HydrophobicContact CD1-CG2 4.32Å; F316-V347 HydrophobicContact CD2-CG2 3.56Å; F316-V347 HydrophobicContact CE1-CG2 4.16Å; F316-V347 HydrophobicContact CE2-CG2 3.38Å; F316-V347 HydrophobicContact CG-CG2 4.05Å; F316-V347 HydrophobicContact CZ-CG2 3.7Å; F316-V367 HydrophobicContact CE1-CB 4.5Å; F316-V367 HydrophobicContact CE1-CG1 4.27Å; F316-V367 HydrophobicContact CE1-CG2 3.91Å; F316-V367 HydrophobicContact CZ-CB 4.2Å; F316-V367 HydrophobicContact CZ-CG1 4.22Å; F316-V367 HydrophobicContact CZ-CG2 3.88Å
317S93.8Very high85Confident54 Ų5483.8 Ų83.838%0.37844%0.443SS..EExtended strand (participates in β ladder)trans-116.4136.9175-177.70000109.8T332S317-T332 PolarHBondContact N-O 2.78Å; S317-T332 PolarHBondContact O-N 2.83Å
318L95.1Very high85.5Confident39 Ų3983.9 Ų83.920%0.20444%0.444CS..EExtended strand (participates in β ladder)trans-111.6112.8175.8-171.770.8000109.1F271 L288 Y329 L331F271-L318 HydrophobicContact CE1-CD1 3.63Å; F271-L318 HydrophobicContact CZ-CD1 3.78Å; F271-L318 HydrophobicContact CZ-CD2 4.38Å; L288-L318 HydrophobicContact CD1-CB 4.29Å; L288-L318 HydrophobicContact CD2-CB 4.49Å; L288-L318 HydrophobicContact CG-CB 3.99Å; L318-Y329 HydrophobicContact CD1-CD1 4.42Å; L318-Y329 HydrophobicContact CD2-CD1 4Å; L318-Y329 HydrophobicContact CG-CD1 4.09Å; L318-L331 HydrophobicContact CD1-CB 4.28Å; L318-L331 HydrophobicContact CD1-CD1 4.3Å
319Q94.5Very high86Confident103 Ų10381.2 Ų81.248%0.48143%0.43SS..EExtended strand (participates in β ladder)trans-102.6128177.7-175.2179.22.900110.1Y329 K330Q319-Y329 WeakPolarHBondContact O-CA 3.09Å; Q319-K330 HydrophobicContact CB-CB 4.42Å; Q319-K330 PolarHBondContact N-O 3.1Å; Q319-K330 PolarHBondContact O-N 3.35Å
320Q93.4Very high86.7Confident107 Ų10778 Ų7850%0.541%0.41SS..EExtended strand (participates in β ladder)trans-88.4136.1172.267-177.13.900111.1I327 Y329Q320-I327 HydrophobicContact CB-CG2 4.18Å; Q320-Y329 HydrophobicContact CB-CD1 4.15Å; Q320-Y329 HydrophobicContact CB-CE1 3.9Å
321M90.7Very high87.6Confident85 Ų8575.1 Ų75.142%0.41940%0.395SS..EExtended strand (participates in β ladder)trans-123.9113.9178.2-61.4179.762.900108.8M323 I328 K330M321-M323 PolarHBondContact O-N 3.32Å; M321-I328 HydrophobicContact CB-CB 4.39Å; M321-I328 WeakPolarHBondContact CB-O 3.41Å; M321-I328 PolarHBondContact N-O 3.11Å; M321-I328 PolarHBondContact O-N 2.82Å; M321-K330 HydrophobicContact SD-CB 4.31Å
322H88.8Confident88.7Confident134 Ų13470 Ų7062%0.6236%0.361SS*.EExtended strand (participates in β ladder)trans-79.1116.8179.4-69.6-86.9000110.4
323M82.4Confident89.7Confident92 Ų9264.9 Ų64.945%0.45333%0.33SS..  trans-102.4163.3169.3-58.6-59.5-66.100109.5M321 F325 S326 I328M321-M323 PolarHBondContact O-N 3.32Å; M323-F325 PolarHBondContact O-N 2.93Å; M323-S326 CarbonylContact C-O 3.49Å; M323-S326 WeakPolarHBondContact CA-O 3.15Å; M323-S326 VanDerWaalsContact CB-O 3.24Å; M323-S326 WeakPolarHBondContact CB-O 3.29Å; M323-S326 PolarHBondContact N-O 3.17Å; M323-S326 VanDerWaalsContact O-O 3.13Å; M323-I328 HydrophobicContact CG-CD1 3.65Å; M323-I328 HydrophobicContact CG-CG1 3.94Å; M323-I328 HydrophobicContact SD-CD1 4.44Å
324P80.7Confident90.5Very high108 Ų10863 Ų6370%0.70133%0.326SS*.SBendtrans-56.1-27.7-174.6-27.435.2000115.4
325F79.5Confident90.7Very high210 Ų21059.4 Ų59.492%0.92131%0.311SS*.SBendtrans-134.13.6-175.9-54.3-67.5000113.9M323M323-F325 PolarHBondContact O-N 2.93Å
326S84.7Confident90.8Very high59 Ų5962.6 Ų62.641%0.41334%0.335SS..  trans-156.1161.2-178640000111.4M323M323-S326 CarbonylContact C-O 3.49Å; M323-S326 WeakPolarHBondContact CA-O 3.15Å; M323-S326 VanDerWaalsContact CB-O 3.24Å; M323-S326 WeakPolarHBondContact CB-O 3.29Å; M323-S326 PolarHBondContact N-O 3.17Å; M323-S326 VanDerWaalsContact O-O 3.13Å
327I90.1Very high90.7Very high45 Ų4563.5 Ų63.523%0.23134%0.339CS..EExtended strand (participates in β ladder)trans-108.3124169.9-58.6174.9000107.3Q320 Y329Q320-I327 HydrophobicContact CB-CG2 4.18Å; I327-Y329 HydrophobicContact CB-CE2 4.23Å; I327-Y329 HydrophobicContact CG2-CD2 4.29Å; I327-Y329 HydrophobicContact CG2-CE1 4.24Å; I327-Y329 HydrophobicContact CG2-CE2 3.73Å
328I92Very high90.6Very high42 Ų4264 Ų6422%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-99.4130.8174.1-61.3177.1000107.9V270 T272 M321 M323V270-I328 HydrophobicContact CG1-CG2 3.32Å; T272-I328 HydrophobicContact CG2-CG1 3.89Å; M321-I328 HydrophobicContact CB-CB 4.39Å; M321-I328 WeakPolarHBondContact CB-O 3.41Å; M321-I328 PolarHBondContact N-O 3.11Å; M321-I328 PolarHBondContact O-N 2.82Å; M323-I328 HydrophobicContact CG-CD1 3.65Å; M323-I328 HydrophobicContact CG-CG1 3.94Å; M323-I328 HydrophobicContact SD-CD1 4.44Å
329Y93.9Very high90.6Very high3 Ų363.8 Ų63.81%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-102.6127.9174.9-66.9-86000109.9V270 F271 C286 L318 Q319 Q320 I327V270-Y329 WeakPolarHBondContact CA-O 3.18Å; F271-Y329 HydrophobicContact CD2-CD2 4.18Å; F271-Y329 HydrophobicContact CD2-CG 4.43Å; F271-Y329 AromaticContact CE2-CD2 3.75Å; F271-Y329 HydrophobicContact CE2-CD2 3.75Å; F271-Y329 AromaticContact CE2-CG 3.79Å; F271-Y329 HydrophobicContact CE2-CG 3.79Å; F271-Y329 HydrophobicContact CZ-CD2 4.29Å; F271-Y329 AromaticContact CZ-CG 3.84Å; F271-Y329 HydrophobicContact CZ-CG 3.84Å; F271-Y329 PolarHBondContact N-O 3.4Å; F271-Y329 PolarHBondContact O-N 3.49Å; C286-Y329 HydrophobicContact CB-CD1 4.14Å; C286-Y329 HydrophobicContact CB-CD2 4.08Å; C286-Y329 HydrophobicContact CB-CE1 3.79Å; C286-Y329 HydrophobicContact CB-CE2 3.73Å; C286-Y329 HydrophobicContact CB-CG 4.28Å; C286-Y329 PolarHBondContact N-OH 2.87Å; L318-Y329 HydrophobicContact CD1-CD1 4.42Å; L318-Y329 HydrophobicContact CD2-CD1 4Å; L318-Y329 HydrophobicContact CG-CD1 4.09Å; Q319-Y329 WeakPolarHBondContact O-CA 3.09Å; Q320-Y329 HydrophobicContact CB-CD1 4.15Å; Q320-Y329 HydrophobicContact CB-CE1 3.9Å; I327-Y329 HydrophobicContact CB-CE2 4.23Å; I327-Y329 HydrophobicContact CG2-CD2 4.29Å; I327-Y329 HydrophobicContact CG2-CE1 4.24Å; I327-Y329 HydrophobicContact CG2-CE2 3.73Å
330K93.1Very high90.6Very high67 Ų6761.4 Ų61.429%0.29132%0.322SS..EExtended strand (participates in β ladder)trans-108113176.4-174.7-169.2176.1-169.60108.9L267 Q319 M321 T332L267-K330 HydrophobicContact CD1-CD 4.32Å; L267-K330 HydrophobicContact CD1-CG 3.59Å; Q319-K330 HydrophobicContact CB-CB 4.42Å; Q319-K330 PolarHBondContact N-O 3.1Å; Q319-K330 PolarHBondContact O-N 3.35Å; M321-K330 HydrophobicContact SD-CB 4.31Å; K330-T332 HydrophobicContact CD-CG2 4.09Å; K330-T332 HydrophobicContact CG-CG2 4.04Å
331L94.3Very high90.5Very high0 Ų057.3 Ų57.30%030%0.303CS..EExtended strand (participates in β ladder)trans-90.4123.5173.9-177.564000109.4V268 A269 L288 F316 L318 V347 V365V268-L331 HydrophobicContact CB-CB 4.4Å; V268-L331 HydrophobicContact CB-CD2 4.16Å; V268-L331 HydrophobicContact CB-CG 4.01Å; V268-L331 WeakPolarHBondContact CB-O 3.33Å; V268-L331 HydrophobicContact CG1-CD2 3.8Å; V268-L331 HydrophobicContact CG1-CG 4.22Å; V268-L331 PolarHBondContact N-O 2.87Å; A269-L331 HydrophobicContact CB-CB 4.32Å; A269-L331 HydrophobicContact CB-CD2 4.41Å; A269-L331 PolarHBondContact N-O 3Å; A269-L331 PolarHBondContact O-N 2.87Å; L288-L331 HydrophobicContact CD2-CD1 3.82Å; F316-L331 HydrophobicContact CB-CD1 3.89Å; F316-L331 HydrophobicContact CD1-CD1 4.47Å; F316-L331 HydrophobicContact CG-CD1 4.48Å; L318-L331 HydrophobicContact CD1-CB 4.28Å; L318-L331 HydrophobicContact CD1-CD1 4.3Å; L331-V347 HydrophobicContact CD2-CG1 4.28Å; L331-V365 HydrophobicContact CD2-CB 4.38Å; L331-V365 HydrophobicContact CD2-CG2 4.34Å
332T93.9Very high90.6Very high14 Ų1453.6 Ų53.69%0.08629%0.285CS..EExtended strand (participates in β ladder)trans-128.1157176.562.40000112.1R266 F316 S317 K330R266-T332 CarbonylContact O-C 3.57Å; R266-T332 WeakPolarHBondContact O-CA 3.43Å; R266-T332 VanDerWaalsContact O-CB 3.3Å; R266-T332 WeakPolarHBondContact O-CB 3.49Å; F316-T332 CarbonylContact C-O 3.49Å; F316-T332 WeakPolarHBondContact CA-O 3.24Å; S317-T332 PolarHBondContact N-O 2.78Å; S317-T332 PolarHBondContact O-N 2.83Å; K330-T332 HydrophobicContact CD-CG2 4.09Å; K330-T332 HydrophobicContact CG-CG2 4.04Å
333T94.7Very high90.9Very high3 Ų349.1 Ų49.12%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-64.4140.416765.20000109.5V258 G265 R266 V268 F316 F337V258-T333 HydrophobicContact CG1-CG2 4.1Å; V258-T333 HydrophobicContact CG2-CG2 4.38Å; G265-T333 WeakPolarHBondContact CA-O 3.39Å; G265-T333 PolarHBondContact N-O 2.81Å; G265-T333 PolarHBondContact N-OG1 3.26Å; R266-T333 HydrophobicContact CB-CG2 4.03Å; R266-T333 WeakPolarHBondContact CB-OG1 3.47Å; R266-T333 PolarHBondContact N-OG1 3.07Å; R266-T333 VanDerWaalsContact N-OG1 3.08Å; R266-T333 PolarHBondContact O-N 2.95Å; V268-T333 HydrophobicContact CG2-CG2 3.75Å; F316-T333 HydrophobicContact CE1-CG2 4.2Å; T333-F337 HydrophobicContact CG2-CD2 4.36Å; T333-F337 HydrophobicContact CG2-CE2 3.67Å
334A93.1Very high91.5Very high34 Ų3447.8 Ų47.828%0.28126%0.26SS..SBendtrans-113.6-13.4173.300000112.1I314 L315I314-A334 HydrophobicContact CB-CB 4.22Å; I314-A334 HydrophobicContact CG2-CB 3.79Å; I314-A334 CarbonylContact O-C 3.29Å; I314-A334 WeakPolarHBondContact O-CB 3.38Å; L315-A334 PolarHBondContact O-N 3.27Å
335S91.4Very high92.1Very high31 Ų3142.6 Ų42.622%0.21723%0.227CC..SBendtrans-123.2161.6171.2-65.10000110.3I314 L315I314-S335 PolarHBondContact O-OG 3.34Å; L315-S335 PolarHBondContact O-N 2.82Å
336S91.6Very high92.8Very high82 Ų8233.3 Ų33.357%0.57319%0.187SC*.  trans-78.3153.8161.650.60000109.2
337F92.7Very high93.2Very high22 Ų2230.5 Ų30.510%0.09617%0.168CC..  trans-114.6161178.4-63.7-77.5000109.6V258 E260 L315 F316 T333 I345 I369V258-F337 HydrophobicContact CG1-CD2 4.46Å; E260-F337 CarbonylContact C-O 3.59Å; E260-F337 WeakPolarHBondContact CB-O 3.44Å; L315-F337 HydrophobicContact CB-CE1 4.46Å; L315-F337 HydrophobicContact CB-CZ 4.4Å; L315-F337 HydrophobicContact CD2-CE1 4.22Å; F316-F337 HydrophobicContact CE1-CE2 4.28Å; F316-F337 HydrophobicContact CE1-CZ 4.08Å; F316-F337 HydrophobicContact CE2-CE1 4.46Å; F316-F337 AromaticContact CE2-CZ 3.87Å; F316-F337 HydrophobicContact CE2-CZ 3.87Å; F316-F337 HydrophobicContact CZ-CE1 4.37Å; F316-F337 HydrophobicContact CZ-CE2 4.12Å; F316-F337 AromaticContact CZ-CZ 3.57Å; F316-F337 HydrophobicContact CZ-CZ 3.57Å; T333-F337 HydrophobicContact CG2-CD2 4.36Å; T333-F337 HydrophobicContact CG2-CE2 3.67Å; F337-I345 HydrophobicContact CD1-CD1 3.71Å; F337-I345 HydrophobicContact CE1-CD1 3.29Å; F337-I345 HydrophobicContact CZ-CD1 3.99Å; F337-I369 HydrophobicContact CB-CD1 3.81Å; F337-I369 HydrophobicContact CB-CG1 4.08Å; F337-I369 HydrophobicContact CB-CG2 4.18Å; F337-I369 HydrophobicContact CD1-CD1 4.37Å; F337-I369 HydrophobicContact CD2-CD1 3.86Å; F337-I369 HydrophobicContact CG-CD1 3.74Å; F337-I369 HydrophobicContact CG-CG1 4.38Å
338D92.9Very high93.4Very high65 Ų6532.3 Ų32.335%0.34817%0.171SC..  trans-132.9114.9178.4153.41.5000102.9K303 E340 F341 I342K303-D338 IonicContact NZ-OD2 2.58Å; D338-E340 PolarHBondContact OD1-N 3.33Å; D338-F341 HydrophobicContact CB-CB 4.24Å; D338-F341 PolarHBondContact O-N 2.84Å; D338-F341 PolarHBondContact OD1-N 2.96Å; D338-F341 WeakPolarHBondContact OD2-CB 3.5Å; D338-I342 PolarHBondContact O-N 3.43Å
339R94.6Very high93.6Very high33 Ų3330.3 Ų30.313%0.12516%0.161CC..THydrogen-bonded Turntrans-71.8-38.8-169.5-170.1-144.170.1116.1-5110.4E260 F341 I342 S343 I369 D371 P406 E408E260-R339 HydrophobicContact CB-CB 4.35Å; E260-R339 WeakPolarHBondContact OE2-CA 3.31Å; E260-R339 WeakPolarHBondContact OE2-CB 3.3Å; E260-R339 PolarHBondContact OE2-N 3.48Å; R339-F341 PolarHBondContact O-N 3.26Å; R339-I342 CarbonylContact O-C 3.52Å; R339-I342 VanDerWaalsContact O-C 3.3Å; R339-I342 PolarHBondContact O-N 3.3Å; R339-S343 PolarHBondContact O-N 3.25Å; R339-I369 HydrophobicContact CB-CB 4.36Å; R339-I369 HydrophobicContact CB-CG2 3.81Å; R339-I369 HydrophobicContact CG-CB 4.19Å; R339-I369 HydrophobicContact CG-CG2 4.12Å; R339-D371 VanDerWaalsContact CD-OD1 3.27Å; R339-D371 WeakPolarHBondContact CD-OD1 3.3Å; R339-D371 IonicContact CZ-OD1 2.77Å; R339-D371 IonicContact NE-OD1 2.7Å; R339-D371 PolarHBondContact NE-OD1 3.44Å; R339-D371 IonicContact NH1-OD1 3.54Å; R339-D371 IonicContact NH2-OD1 3.48Å; R339-P406 PolarHBondContact NH2-O 3.01Å; R339-E408 IonicContact CZ-OE2 2.99Å; R339-E408 IonicContact NH1-OE2 3.29Å; R339-E408 PolarHBondContact NH1-OE2 2.75Å
340E93.8Very high93.6Very high53 Ų5330.7 Ų30.725%0.24816%0.164CC..THydrogen-bonded Turntrans-59-31176.5-73.353.8-104.400109.8D338 P406D338-E340 PolarHBondContact OD1-N 3.33Å; E340-P406 HydrophobicContact CG-CB 3.85Å; E340-P406 HydrophobicContact CG-CG 4.1Å
341F92.6Very high93.7Very high22 Ų2227.5 Ų27.510%0.09615%0.15CC..THydrogen-bonded Turntrans-81.7-53.7169.5-177.8-134.1000113.9T298 N300 K303 L304 L307 D338 R339T298-F341 WeakPolarHBondContact CB-O 3.39Å; T298-F341 PolarHBondContact OG1-O 2.82Å; N300-F341 HydrophobicContact CB-CD2 4.15Å; N300-F341 HydrophobicContact CB-CE2 3.93Å; K303-F341 HydrophobicContact CB-CE2 3.59Å; K303-F341 HydrophobicContact CB-CZ 3.73Å; K303-F341 HydrophobicContact CD-CD1 4.33Å; K303-F341 HydrophobicContact CD-CD2 3.73Å; K303-F341 HydrophobicContact CD-CE1 4.08Å; K303-F341 HydrophobicContact CD-CE2 3.48Å; K303-F341 VanDerWaalsContact CD-CE2 3.48Å; K303-F341 HydrophobicContact CD-CG 4.18Å; K303-F341 HydrophobicContact CD-CZ 3.66Å; K303-F341 HydrophobicContact CG-CD2 4.36Å; K303-F341 HydrophobicContact CG-CE1 4.09Å; K303-F341 HydrophobicContact CG-CE2 3.6Å; K303-F341 HydrophobicContact CG-CZ 3.43Å; K303-F341 VanDerWaalsContact CG-CZ 3.43Å; L304-F341 HydrophobicContact CB-CZ 4.24Å; L307-F341 HydrophobicContact CD2-CE1 4.32Å; D338-F341 HydrophobicContact CB-CB 4.24Å; D338-F341 PolarHBondContact O-N 2.84Å; D338-F341 PolarHBondContact OD1-N 2.96Å; D338-F341 WeakPolarHBondContact OD2-CB 3.5Å; R339-F341 PolarHBondContact O-N 3.26Å
342I92.7Very high93.8Very high6 Ų628.9 Ų28.93%0.03116%0.16CC..  trans-138112.3-177.6-55.6169.9000110.6F296 L304 L307 D338 R339 I345 I369F296-I342 HydrophobicContact CD1-CD1 4.41Å; F296-I342 HydrophobicContact CD1-CG2 4.38Å; L304-I342 HydrophobicContact CD1-CD1 3.92Å; L307-I342 HydrophobicContact CD2-CD1 4.33Å; D338-I342 PolarHBondContact O-N 3.43Å; R339-I342 CarbonylContact O-C 3.52Å; R339-I342 VanDerWaalsContact O-C 3.3Å; R339-I342 PolarHBondContact O-N 3.3Å; I342-I345 HydrophobicContact CG2-CD1 4.13Å; I342-I345 HydrophobicContact CG2-CG1 3.64Å; I342-I369 VanDerWaalsContact O-CG1 3.32Å; I342-I369 WeakPolarHBondContact O-CG1 3.49Å
343S93.9Very high93.9Very high41 Ų4128.4 Ų28.429%0.28716%0.157SC..SBendtrans-89.9-23.8-17763.80000114.1D297 R339 I369D297-S343 PolarHBondContact O-N 2.78Å; D297-S343 VanDerWaalsContact O-N 3.1Å; R339-S343 PolarHBondContact O-N 3.25Å; S343-I369 PolarHBondContact O-N 2.93Å
344K94.9Very high93.9Very high63 Ų6333.4 Ų33.427%0.27418%0.176SC..EExtended strand (participates in β ladder)trans-148.9136.3-178.8-171.1-171.279.9-130.60112.6F296 D297 I366 V367 R368F296-K344 CarbonylContact C-O 3.52Å; F296-K344 WeakPolarHBondContact CA-O 3.25Å; D297-K344 HydrophobicContact CB-CB 3.67Å; D297-K344 PolarHBondContact N-O 2.89Å; D297-K344 IonicContact OD2-NZ 2.68Å; D297-K344 PolarHBondContact OD2-NZ 3.24Å; K344-I366 HydrophobicContact CD-CG2 3.86Å; K344-I366 HydrophobicContact CG-CG2 3.8Å; K344-V367 CarbonylContact C-O 3.56Å; K344-V367 WeakPolarHBondContact CA-O 3.46Å; K344-R368 HydrophobicContact CG-CG 4.21Å
345I94.4Very high93.9Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-128.8128.9177.9-50.8175.1000108.9W294 T295 F296 F316 F337 I342 V347 V367W294-I345 HydrophobicContact CE3-CG2 4.38Å; T295-I345 CarbonylContact O-C 3.59Å; T295-I345 WeakPolarHBondContact O-CA 3.46Å; F296-I345 HydrophobicContact CD1-CB 4.36Å; F296-I345 HydrophobicContact CD1-CD1 4.36Å; F296-I345 HydrophobicContact CD1-CG1 3.91Å; F296-I345 HydrophobicContact CD1-CG2 3.83Å; F296-I345 HydrophobicContact CE1-CD1 4.34Å; F296-I345 HydrophobicContact CE1-CG1 4.25Å; F296-I345 HydrophobicContact CE1-CG2 3.59Å; F296-I345 HydrophobicContact CZ-CG2 4.31Å; F316-I345 HydrophobicContact CE2-CB 4.48Å; F316-I345 HydrophobicContact CE2-CD1 4.11Å; F316-I345 HydrophobicContact CE2-CG2 3.98Å; F316-I345 HydrophobicContact CZ-CD1 4.16Å; F316-I345 HydrophobicContact CZ-CG2 4.47Å; F337-I345 HydrophobicContact CD1-CD1 3.71Å; F337-I345 HydrophobicContact CE1-CD1 3.29Å; F337-I345 HydrophobicContact CZ-CD1 3.99Å; I342-I345 HydrophobicContact CG2-CD1 4.13Å; I342-I345 HydrophobicContact CG2-CG1 3.64Å; I345-V347 HydrophobicContact CG2-CG2 4.11Å; I345-V367 HydrophobicContact CB-CB 4.45Å; I345-V367 PolarHBondContact N-O 2.83Å; I345-V367 PolarHBondContact O-N 3.43Å
346T93.9Very high93.9Very high15 Ų1538.4 Ų38.49%0.09220%0.195CC..EExtended strand (participates in β ladder)trans-102.6108.1170.7-53.30000109.2W294 T295 I366W294-T346 WeakPolarHBondContact CA-O 3.45Å; W294-T346 WeakPolarHBondContact CB-O 3.08Å; T295-T346 PolarHBondContact N-O 3.01Å; T295-T346 PolarHBondContact O-N 3.36Å; T295-T346 WeakPolarHBondContact OG1-CB 3.41Å; T295-T346 PolarHBondContact OG1-OG1 3.13Å; T346-I366 HydrophobicContact CG2-CG1 4.27Å
347V93.7Very high94Very high0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-88123.3-177.7-177.40000108.8L288 W294 F316 L331 I345 S364 V365 V367L288-V347 HydrophobicContact CD2-CG1 3.7Å; W294-V347 HydrophobicContact CH2-CG1 4.42Å; W294-V347 HydrophobicContact CZ2-CG1 4.12Å; F316-V347 HydrophobicContact CD1-CG2 4.32Å; F316-V347 HydrophobicContact CD2-CG2 3.56Å; F316-V347 HydrophobicContact CE1-CG2 4.16Å; F316-V347 HydrophobicContact CE2-CG2 3.38Å; F316-V347 HydrophobicContact CG-CG2 4.05Å; F316-V347 HydrophobicContact CZ-CG2 3.7Å; L331-V347 HydrophobicContact CD2-CG1 4.28Å; I345-V347 HydrophobicContact CG2-CG2 4.11Å; V347-S364 CarbonylContact O-C 3.6Å; V347-S364 VanDerWaalsContact O-CA 3.24Å; V347-S364 WeakPolarHBondContact O-CA 3.48Å; V347-V365 PolarHBondContact N-O 2.72Å; V347-V365 PolarHBondContact O-N 3.34Å; V347-V367 HydrophobicContact CG2-CG2 3.97Å
348W94.2Very high94.1Very high82 Ų8241.6 Ų41.631%0.31122%0.216SC..EExtended strand (participates in β ladder)trans-97.3134.8177.3-73.682.2000111.4A289 K293 G363A289-W348 HydrophobicContact CB-CB 3.74Å; A289-W348 VanDerWaalsContact CB-O 3.3Å; A289-W348 WeakPolarHBondContact CB-O 3.38Å; A289-W348 PolarHBondContact N-O 2.73Å; K293-W348 PolarHBondContact O-NE1 3.34Å; W348-G363 WeakPolarHBondContact CA-O 3.25Å
349I94.6Very high94.2Very high0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-111.9141.7176.1-65.6150.6000107.4I245 F247 F271 C286 L288 T362 G363 V365I245-I349 HydrophobicContact CD1-CG2 4.21Å; F247-I349 HydrophobicContact CE1-CD1 3.85Å; F247-I349 HydrophobicContact CZ-CD1 3.97Å; F271-I349 HydrophobicContact CD1-CD1 4.06Å; F271-I349 HydrophobicContact CE1-CD1 3.46Å; F271-I349 VanDerWaalsContact CE1-CD1 3.46Å; F271-I349 HydrophobicContact CE1-CG1 4.26Å; F271-I349 HydrophobicContact CE2-CD1 4.49Å; F271-I349 HydrophobicContact CE2-CG2 3.9Å; F271-I349 HydrophobicContact CZ-CB 4.47Å; F271-I349 HydrophobicContact CZ-CD1 3.71Å; F271-I349 HydrophobicContact CZ-CG1 4.12Å; F271-I349 HydrophobicContact CZ-CG2 3.63Å; C286-I349 HydrophobicContact CB-CG2 4.3Å; L288-I349 HydrophobicContact CD2-CG1 4.25Å; I349-T362 CarbonylContact O-C 3.54Å; I349-T362 WeakPolarHBondContact O-CA 3.39Å; I349-T362 WeakPolarHBondContact O-CB 3.26Å; I349-G363 PolarHBondContact N-O 3Å; I349-G363 PolarHBondContact O-N 3.44Å; I349-V365 HydrophobicContact CD1-CG2 4.14Å
350T94.8Very high94.2Very high12 Ų1246 Ų467%0.07424%0.235CC..EExtended strand (participates in β ladder)trans-123.6126.1172.8-54.30000108.5C286 R287 N360 S361 T362C286-T350 WeakPolarHBondContact CA-O 3.18Å; R287-T350 PolarHBondContact N-O 3.37Å; R287-T350 PolarHBondContact O-N 3.17Å; T350-N360 HydrophobicContact CG2-CB 4.44Å; T350-S361 CarbonylContact C-O 3.53Å; T350-S361 WeakPolarHBondContact CA-O 3.39Å; T350-T362 HydrophobicContact CG2-CG2 4.16Å
351C95.9Very high94.2Very high0 Ų044.5 Ų44.50%023%0.23CC..EExtended strand (participates in β ladder)trans-110.6138.6172.6-59.10000108.9P243 I245 A273 S285 C286 N360 S361P243-C351 HydrophobicContact CB-CB 4.01Å; I245-C351 HydrophobicContact CD1-CB 4.37Å; I245-C351 VanDerWaalsContact CD1-SG 3.53Å; I245-C351 HydrophobicContact CG1-CB 4.4Å; I245-C351 VanDerWaalsContact CG1-SG 3.58Å; A273-C351 HydrophobicContact CB-CB 4.4Å; S285-C351 WeakPolarHBondContact O-CA 3.47Å; C286-C351 HydrophobicContact CB-CB 4.13Å; C286-C351 WeakPolarHBondContact CB-SG 3.44Å; C286-C351 WeakPolarHBondContact SG-CB 3.15Å; C286-C351 CovalentContact SG-SG 2.04Å; C286-C351 PolarHBondContact SG-SG 3Å; C351-N360 CarbonylContact O-C 3.26Å; C351-N360 VanDerWaalsContact O-CA 3.24Å; C351-N360 WeakPolarHBondContact O-CA 3.34Å; C351-S361 PolarHBondContact N-O 3.28Å; C351-S361 PolarHBondContact O-N 3.43Å
352S95.5Very high94.3Very high29 Ų2947.2 Ų47.220%0.20325%0.249CC..EExtended strand (participates in β ladder)trans-125.6138.1177.1-174.30000108.5V284 S285 R359 N360V284-S352 WeakPolarHBondContact CA-O 3.49Å; S285-S352 PolarHBondContact N-O 3.18Å; S285-S352 PolarHBondContact O-N 3.38Å; S352-R359 WeakPolarHBondContact CA-O 3.33Å; S352-N360 WeakPolarHBondContact CB-OD1 3.31Å; S352-N360 PolarHBondContact OG-OD1 2.8Å
353D95.8Very high94.2Very high4 Ų447.5 Ų47.52%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-72.5175.116263.450.9000111.4N239 P243 N281 R283 G355 P358 R359N239-D353 PolarHBondContact ND2-OD1 3.15Å; N239-D353 VanDerWaalsContact ND2-OD1 3.14Å; N239-D353 PolarHBondContact ND2-OD2 3.19Å; N239-D353 VanDerWaalsContact ND2-OD2 3.14Å; N239-D353 PolarHBondContact OD1-OD2 2.84Å; P243-D353 HydrophobicContact CG-CB 4.21Å; N281-D353 VanDerWaalsContact O-CB 3.23Å; N281-D353 WeakPolarHBondContact O-CB 3.14Å; R283-D353 CarbonylContact O-C 3.56Å; R283-D353 WeakPolarHBondContact O-CA 3.44Å; D353-G355 WeakPolarHBondContact OD1-CA 3.25Å; D353-G355 PolarHBondContact OD1-N 3.15Å; D353-P358 WeakPolarHBondContact OD1-CA 3.33Å; D353-R359 VanDerWaalsContact CG-N 3.31Å; D353-R359 PolarHBondContact N-O 2.78Å; D353-R359 VanDerWaalsContact N-O 3.08Å; D353-R359 PolarHBondContact OD1-N 2.91Å; D353-R359 VanDerWaalsContact OD2-CA 3.26Å; D353-R359 WeakPolarHBondContact OD2-CA 3.36Å; D353-R359 WeakPolarHBondContact OD2-CB 3.36Å; D353-R359 PolarHBondContact OD2-N 3.22Å
354Y94.5Very high94.1Very high108 Ų10847.4 Ų47.442%0.42425%0.252SS..SBendtrans-99.714.7173-71.3-93.1000112.8D280 R283 S285D280-Y354 CarbonylContact O-C 3.4Å; D280-Y354 WeakPolarHBondContact O-CA 3.34Å; D280-Y354 WeakPolarHBondContact O-CB 3.35Å; D280-Y354 PolarHBondContact O-N 2.94Å; D280-Y354 VanDerWaalsContact O-N 3.13Å; R283-Y354 HydrophobicContact CB-CD2 3.84Å; R283-Y354 HydrophobicContact CG-CD2 3.54Å; R283-Y354 HydrophobicContact CG-CE2 3.82Å; R283-Y354 VanDerWaalsContact O-CD2 3.26Å; R283-Y354 WeakPolarHBondContact O-CD2 3.46Å; R283-Y354 PolarHBondContact O-N 2.95Å; R283-Y354 VanDerWaalsContact O-N 3.1Å; S285-Y354 WeakPolarHBondContact CB-OH 3.44Å
355G93.1Very high94Very high5 Ų544.8 Ų44.85%0.05224%0.242CC..SBendtrans-69170.6177.400000113.3D280 N281 D353 P357 P358D280-G355 PolarHBondContact O-N 3.46Å; N281-G355 WeakPolarHBondContact OD1-CA 3.37Å; D353-G355 WeakPolarHBondContact OD1-CA 3.25Å; D353-G355 PolarHBondContact OD1-N 3.15Å; G355-P357 VanDerWaalsContact C-C 3.5Å; G355-P357 CarbonylContact C-O 3.27Å; G355-P357 CarbonylContact O-C 3.54Å; G355-P357 VanDerWaalsContact O-C 3.24Å; G355-P358 VanDerWaalsContact O-CA 3.28Å; G355-P358 WeakPolarHBondContact O-CA 3.24Å; G355-P358 WeakPolarHBondContact O-CD 3.19Å
356I91.8Very high93.9Very high165 Ų16547.3 Ų47.385%0.84626%0.255SS*.SBendtrans-129.1103.6-178.6-56169.5000109.4
357P93.8Very high93.9Very high103 Ų10346.6 Ų46.667%0.66925%0.25SS*.SBendcis-71154.2-2.431.8-35.6000112.4N239 G355N239-P357 PolarHBondContact ND2-O 2.84Å; G355-P357 VanDerWaalsContact C-C 3.5Å; G355-P357 CarbonylContact C-O 3.27Å; G355-P357 CarbonylContact O-C 3.54Å; G355-P357 VanDerWaalsContact O-C 3.24Å
358P94.5Very high94Very high68 Ų6852 Ų5244%0.44227%0.271SS..PPolyproline II helixtrans-74.8141178.629.5-34.4000110.8D353 G355D353-P358 WeakPolarHBondContact OD1-CA 3.33Å; G355-P358 VanDerWaalsContact O-CA 3.28Å; G355-P358 WeakPolarHBondContact O-CA 3.24Å; G355-P358 WeakPolarHBondContact O-CD 3.19Å
359R95.2Very high94Very high97 Ų9748.5 Ų48.537%0.36626%0.258SS..PPolyproline II helixtrans-102.9141.9174-54.7173.462.7144.8-18.3109.5N239 D240 H241 S242 S352 D353N239-R359 WeakPolarHBondContact O-CD 3.34Å; N239-R359 PolarHBondContact O-NH1 3.24Å; D240-R359 PolarHBondContact O-NH1 3.46Å; D240-R359 PolarHBondContact O-NH2 3.4Å; H241-R359 WeakPolarHBondContact O-CD 3.21Å; H241-R359 PolarHBondContact O-NE 2.81Å; S242-R359 WeakPolarHBondContact OG-CB 3.45Å; S242-R359 PolarHBondContact OG-NE 2.75Å; S242-R359 PolarHBondContact OG-NH2 2.79Å; S352-R359 WeakPolarHBondContact CA-O 3.33Å; D353-R359 VanDerWaalsContact CG-N 3.31Å; D353-R359 PolarHBondContact N-O 2.78Å; D353-R359 VanDerWaalsContact N-O 3.08Å; D353-R359 PolarHBondContact OD1-N 2.91Å; D353-R359 VanDerWaalsContact OD2-CA 3.26Å; D353-R359 WeakPolarHBondContact OD2-CA 3.36Å; D353-R359 WeakPolarHBondContact OD2-CB 3.36Å; D353-R359 PolarHBondContact OD2-N 3.22Å
360N94Very high93.9Very high93 Ų9349.8 Ų49.850%0.49727%0.267SS..EExtended strand (participates in β ladder)trans-119.2141.3-172.4-66.8-72.1000110T350 C351 S352T350-N360 HydrophobicContact CG2-CB 4.44Å; C351-N360 CarbonylContact O-C 3.26Å; C351-N360 VanDerWaalsContact O-CA 3.24Å; C351-N360 WeakPolarHBondContact O-CA 3.34Å; S352-N360 WeakPolarHBondContact CB-OD1 3.31Å; S352-N360 PolarHBondContact OG-OD1 2.8Å
361S95Very high93.9Very high21 Ų2150.8 Ų50.815%0.14727%0.272CS..EExtended strand (participates in β ladder)trans-122.8158.5166.370.60000110.6P243 T350 C351P243-S361 WeakPolarHBondContact O-CB 3.14Å; P243-S361 PolarHBondContact O-OG 3.46Å; T350-S361 CarbonylContact C-O 3.53Å; T350-S361 WeakPolarHBondContact CA-O 3.39Å; C351-S361 PolarHBondContact N-O 3.28Å; C351-S361 PolarHBondContact O-N 3.43Å
362T93.6Very high93.8Very high80 Ų8052.3 Ų52.349%0.49128%0.281SS..EExtended strand (participates in β ladder)trans-131.6138.1177.258.60000110.9I349 T350I349-T362 CarbonylContact O-C 3.54Å; I349-T362 WeakPolarHBondContact O-CA 3.39Å; I349-T362 WeakPolarHBondContact O-CB 3.26Å; T350-T362 HydrophobicContact CG2-CG2 4.16Å
363G91.7Very high93.8Very high11 Ų1151.8 Ų51.811%0.11328%0.276CS..EExtended strand (participates in β ladder)trans-127.1162.5174.100000109.9W348 I349W348-G363 WeakPolarHBondContact CA-O 3.25Å; I349-G363 PolarHBondContact N-O 3Å; I349-G363 PolarHBondContact O-N 3.44Å
364S91.7Very high93.7Very high40 Ų4055.6 Ų55.628%0.2830%0.296SS..EExtended strand (participates in β ladder)trans-134.9145.9176.966.80000112.1V347V347-S364 CarbonylContact O-C 3.6Å; V347-S364 VanDerWaalsContact O-CA 3.24Å; V347-S364 WeakPolarHBondContact O-CA 3.48Å
365V92.1Very high93.6Very high8 Ų854.3 Ų54.35%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-118.4125.1171.5-177.90000107.6F247 V268 A269 L331 V347 I349 V367F247-V365 HydrophobicContact CD1-CG2 3.81Å; F247-V365 HydrophobicContact CE1-CG2 3.17Å; F247-V365 HydrophobicContact CZ-CG2 3.63Å; V268-V365 HydrophobicContact CG1-CG1 4.05Å; A269-V365 HydrophobicContact CB-CG1 4.08Å; A269-V365 HydrophobicContact CB-CG2 3.94Å; L331-V365 HydrophobicContact CD2-CB 4.38Å; L331-V365 HydrophobicContact CD2-CG2 4.34Å; V347-V365 PolarHBondContact N-O 2.72Å; V347-V365 PolarHBondContact O-N 3.34Å; I349-V365 HydrophobicContact CD1-CG2 4.14Å; V365-V367 HydrophobicContact CG1-CG2 4.46Å
366I93.6Very high93.7Very high53 Ų5358.2 Ų58.227%0.27231%0.313SS..EExtended strand (participates in β ladder)trans-83.2125.9173.7-60172.8000107.5N254 Y255 A256 K344 T346 R368N254-I366 PolarHBondContact O-N 2.87Å; N254-I366 VanDerWaalsContact O-N 3.09Å; Y255-I366 CarbonylContact C-O 3.53Å; Y255-I366 WeakPolarHBondContact CA-O 3.24Å; Y255-I366 WeakPolarHBondContact CB-O 3.4Å; A256-I366 PolarHBondContact N-O 2.81Å; K344-I366 HydrophobicContact CD-CG2 3.86Å; K344-I366 HydrophobicContact CG-CG2 3.8Å; T346-I366 HydrophobicContact CG2-CG1 4.27Å; I366-R368 HydrophobicContact CG2-CG 4.32Å
367V93.7Very high93.9Very high0 Ų050.4 Ų50.40%027%0.273CS..EExtended strand (participates in β ladder)trans-109.8113.1175.2-170.80000106.5V258 V268 F316 K344 I345 V347 V365 I369V258-V367 HydrophobicContact CB-CG1 4.24Å; V258-V367 HydrophobicContact CG2-CG1 3.68Å; V268-V367 HydrophobicContact CG1-CG2 3.52Å; F316-V367 HydrophobicContact CE1-CB 4.5Å; F316-V367 HydrophobicContact CE1-CG1 4.27Å; F316-V367 HydrophobicContact CE1-CG2 3.91Å; F316-V367 HydrophobicContact CZ-CB 4.2Å; F316-V367 HydrophobicContact CZ-CG1 4.22Å; F316-V367 HydrophobicContact CZ-CG2 3.88Å; K344-V367 CarbonylContact C-O 3.56Å; K344-V367 WeakPolarHBondContact CA-O 3.46Å; I345-V367 HydrophobicContact CB-CB 4.45Å; I345-V367 PolarHBondContact N-O 2.83Å; I345-V367 PolarHBondContact O-N 3.43Å; V347-V367 HydrophobicContact CG2-CG2 3.97Å; V365-V367 HydrophobicContact CG1-CG2 4.46Å; V367-I369 HydrophobicContact CG1-CD1 4.12Å
368R94.2Very high94Very high113 Ų11349.6 Ų49.643%0.42626%0.262SS..EExtended strand (participates in β ladder)trans-95.8126.8172-71.9-178.6173.7168.6-3.7108.1Y255 A256 L257 V258 K344 I366Y255-R368 HydrophobicContact CD2-CG 4.41Å; A256-R368 PolarHBondContact O-N 3.04Å; L257-R368 WeakPolarHBondContact CA-O 3.27Å; L257-R368 HydrophobicContact CD1-CB 3.98Å; V258-R368 PolarHBondContact N-O 3.33Å; K344-R368 HydrophobicContact CG-CG 4.21Å; I366-R368 HydrophobicContact CG2-CG 4.32Å
369I94.8Very high94.1Very high9 Ų947.4 Ų47.45%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-82.9120.8173.4-50.8-52.2000106.7V258 E260 F337 R339 I342 S343 V367V258-I369 HydrophobicContact CB-CD1 4.15Å; V258-I369 HydrophobicContact CG1-CD1 4.44Å; V258-I369 CarbonylContact O-C 3.57Å; V258-I369 WeakPolarHBondContact O-CA 3.43Å; E260-I369 HydrophobicContact CB-CG2 3.66Å; F337-I369 HydrophobicContact CB-CD1 3.81Å; F337-I369 HydrophobicContact CB-CG1 4.08Å; F337-I369 HydrophobicContact CB-CG2 4.18Å; F337-I369 HydrophobicContact CD1-CD1 4.37Å; F337-I369 HydrophobicContact CD2-CD1 3.86Å; F337-I369 HydrophobicContact CG-CD1 3.74Å; F337-I369 HydrophobicContact CG-CG1 4.38Å; R339-I369 HydrophobicContact CB-CB 4.36Å; R339-I369 HydrophobicContact CB-CG2 3.81Å; R339-I369 HydrophobicContact CG-CB 4.19Å; R339-I369 HydrophobicContact CG-CG2 4.12Å; I342-I369 VanDerWaalsContact O-CG1 3.32Å; I342-I369 WeakPolarHBondContact O-CG1 3.49Å; S343-I369 PolarHBondContact O-N 2.93Å; V367-I369 HydrophobicContact CG1-CD1 4.12Å
370S92.9Very high93.9Very high27 Ų2746.8 Ų46.819%0.18926%0.256CS..EExtended strand (participates in β ladder)trans-87.8134.9176.757.20000110.4V258 P259 E260V258-S370 PolarHBondContact O-N 3.19Å; P259-S370 WeakPolarHBondContact CA-O 3.37Å; P259-S370 WeakPolarHBondContact CA-OG 3.45Å; E260-S370 PolarHBondContact N-O 2.68Å
371D94.2Very high93.9Very high33 Ų3347.2 Ų47.218%0.17626%0.255CS..PPolyproline II helixtrans-58134.4176.8-163.178.1000113.2E260 R339 E408 N411E260-D371 WeakPolarHBondContact OE1-CA 3.19Å; R339-D371 VanDerWaalsContact CD-OD1 3.27Å; R339-D371 WeakPolarHBondContact CD-OD1 3.3Å; R339-D371 IonicContact CZ-OD1 2.77Å; R339-D371 IonicContact NE-OD1 2.7Å; R339-D371 PolarHBondContact NE-OD1 3.44Å; R339-D371 IonicContact NH1-OD1 3.54Å; R339-D371 IonicContact NH2-OD1 3.48Å; D371-E408 HydrophobicContact CB-CB 3.97Å; D371-E408 WeakPolarHBondContact OD1-CB 3.36Å; D371-E408 PolarHBondContact OD1-N 2.94Å; D371-E408 PolarHBondContact OD2-N 3.1Å; D371-N411 WeakPolarHBondContact OD2-CB 3.35Å; D371-N411 PolarHBondContact OD2-ND2 2.81Å
372V93.9Very high93.8Very high31 Ų3151 Ų5119%0.18828%0.282CS..  trans-127.6136.8172.6175.10000106.7P259 E260 N261 D374P259-V372 HydrophobicContact CB-CG2 4.1Å; E260-V372 HydrophobicContact CG-CB 3.89Å; E260-V372 HydrophobicContact CG-CG2 4Å; E260-V372 PolarHBondContact OE1-N 3.25Å; N261-V372 HydrophobicContact CB-CG1 4.29Å; N261-V372 HydrophobicContact CB-CG2 4.33Å; V372-D374 PolarHBondContact O-N 3.17Å
373N95Very high93.9Very high19 Ų1949.4 Ų49.410%0.10227%0.269CS..SBendtrans-7088.9178.2-158.166.3000110.8D407 N411 D457 P461 L463N373-D407 WeakPolarHBondContact CA-OD2 3.12Å; N373-D407 PolarHBondContact OD1-OD2 2.72Å; N373-N411 HydrophobicContact CB-CB 4.16Å; N373-N411 PolarHBondContact N-ND2 2.85Å; N373-N411 VanDerWaalsContact OD1-CA 3.31Å; N373-N411 WeakPolarHBondContact OD1-CA 3.16Å; N373-N411 WeakPolarHBondContact OD1-CB 3.5Å; N373-N411 PolarHBondContact OD1-O 3.07Å; N373-D457 VanDerWaalsContact ND2-CG 3.28Å; N373-D457 PolarHBondContact ND2-OD1 3.47Å; N373-D457 PolarHBondContact ND2-OD2 3.32Å; N373-D457 PolarHBondContact OD1-OD2 3.24Å; N373-P461 PolarHBondContact ND2-O 3.39Å; N373-L463 WeakPolarHBondContact ND2-CG 3.41Å; N373-L463 PolarHBondContact ND2-N 3.46Å
374D93.4Very high94.1Very high84 Ų8449.1 Ų49.145%0.44927%0.265SS..  trans-127.1-13.7-178.973.7-15.8000114.6V372 D407V372-D374 PolarHBondContact O-N 3.17Å; D374-D407 PolarHBondContact N-OD2 3.36Å
375E94Very high94.3Very high80 Ų8054.3 Ų54.337%0.37428%0.279SS..SBendtrans-92.9149.4166.1-68.9-69.4164.500111.1P406 D407 L463E375-P406 HydrophobicContact CB-CG 3.46Å; E375-P406 VanDerWaalsContact CB-CG 3.46Å; E375-P406 HydrophobicContact CG-CG 3.62Å; E375-D407 WeakPolarHBondContact CB-OD1 3.31Å; E375-L463 WeakPolarHBondContact O-CD1 3.35Å
376L95Very high94.4Very high88 Ų8855 Ų5546%0.46128%0.281SS..  trans-104.8147.6-179.758.6105.7000110.2I378 L463L376-I378 VanDerWaalsContact O-CG1 3.25Å; L376-I378 WeakPolarHBondContact O-CG1 3.42Å; L376-I378 PolarHBondContact O-N 3.4Å; L376-L463 HydrophobicContact CB-CB 4.24Å
377P96.3Very high94.5Very high0 Ų057.3 Ų57.30%030%0.295CS..  trans-55130.1179-27.132.4000111.9D405 L414 A455 D457 S465P377-D405 VanDerWaalsContact CD-OD2 3.27Å; P377-D405 WeakPolarHBondContact CD-OD2 3.23Å; P377-D405 WeakPolarHBondContact CG-OD2 3.39Å; P377-L414 HydrophobicContact CB-CD1 4.37Å; P377-L414 HydrophobicContact CB-CD2 3.64Å; P377-L414 HydrophobicContact CG-CD2 3.47Å; P377-L414 VanDerWaalsContact CG-CD2 3.47Å; P377-A455 HydrophobicContact CB-CB 4Å; P377-D457 HydrophobicContact CG-CB 4.43Å; P377-S465 WeakPolarHBondContact O-CB 3.47Å; P377-S465 PolarHBondContact O-OG 2.76Å
378I95.3Very high94.6Very high86 Ų8658 Ų5844%0.44130%0.298SS..EExtended strand (participates in β ladder)trans-108118.1-176.6-52.8-178.8000109.9L376 A403 T404L376-I378 VanDerWaalsContact O-CG1 3.25Å; L376-I378 WeakPolarHBondContact O-CG1 3.42Å; L376-I378 PolarHBondContact O-N 3.4Å; I378-A403 CarbonylContact O-C 3.54Å; I378-A403 WeakPolarHBondContact O-CA 3.45Å; I378-T404 PolarHBondContact N-O 3.48Å; I378-T404 PolarHBondContact O-N 3.22Å
379F95.8Very high94.6Very high22 Ų2255.8 Ų55.810%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-72.5144.9170.2-72.5-78.9000111.5Q381 Y384 I401 A403 F416 I453 A455 S465 A467F379-Q381 WeakPolarHBondContact CB-O 3.08Å; F379-Q381 PolarHBondContact O-N 3.08Å; F379-Q381 VanDerWaalsContact O-N 3.16Å; F379-Y384 HydrophobicContact CB-CE2 4.45Å; F379-Y384 HydrophobicContact CD1-CE2 4.34Å; F379-I401 HydrophobicContact CD1-CG2 3.65Å; F379-I401 HydrophobicContact CE1-CG2 3.52Å; F379-A403 HydrophobicContact CD1-CB 3.83Å; F379-A403 HydrophobicContact CE1-CB 3.95Å; F379-A403 HydrophobicContact CG-CB 4.28Å; F379-F416 HydrophobicContact CE1-CD1 4.46Å; F379-F416 HydrophobicContact CE1-CE1 4.21Å; F379-I453 HydrophobicContact CD1-CD1 4.1Å; F379-I453 HydrophobicContact CE1-CD1 3.83Å; F379-I453 HydrophobicContact CE1-CG1 4.12Å; F379-I453 HydrophobicContact CZ-CD1 4.4Å; F379-I453 HydrophobicContact CZ-CG1 4.18Å; F379-A455 HydrophobicContact CE1-CB 4.07Å; F379-A455 HydrophobicContact CE2-CB 3.92Å; F379-A455 HydrophobicContact CZ-CB 3.43Å; F379-A455 VanDerWaalsContact CZ-CB 3.43Å; F379-S465 WeakPolarHBondContact CD2-OG 3.36Å; F379-S465 WeakPolarHBondContact CE2-OG 3.49Å; F379-A467 HydrophobicContact CB-CB 4.22Å; F379-A467 HydrophobicContact CD1-CB 4.41Å; F379-A467 HydrophobicContact CD2-CB 3.91Å; F379-A467 HydrophobicContact CE2-CB 4.37Å; F379-A467 HydrophobicContact CG-CB 3.91Å
380S92Very high94.6Very high84 Ų8455.7 Ų55.759%0.58729%0.294SS*.SBendtrans-61.9-23.4175.764.10000113.4Y384 N402S380-Y384 PolarHBondContact N-OH 3.46Å; S380-Y384 PolarHBondContact OG-OH 3.35Å; S380-N402 PolarHBondContact N-O 3.09Å
381Q93.6Very high94.6Very high102 Ų10259.1 Ų59.148%0.47731%0.31SS..  trans-141.5144.9178.8-56.9177.5-100.800109.6F379 H383 Y384F379-Q381 WeakPolarHBondContact CB-O 3.08Å; F379-Q381 PolarHBondContact O-N 3.08Å; F379-Q381 VanDerWaalsContact O-N 3.16Å; Q381-H383 VanDerWaalsContact C-N 3.3Å; Q381-Y384 HydrophobicContact CB-CD1 4.31Å; Q381-Y384 HydrophobicContact CB-CD2 4.47Å; Q381-Y384 HydrophobicContact CB-CE1 3.9Å; Q381-Y384 HydrophobicContact CB-CE2 4.07Å; Q381-Y384 HydrophobicContact CG-CE1 4.01Å; Q381-Y384 PolarHBondContact N-OH 3.3Å; Q381-Y384 WeakPolarHBondContact O-CE2 3.48Å; Q381-Y384 VanDerWaalsContact OE1-CD1 3.32Å
382S92.8Very high94.7Very high102 Ų10258.8 Ų58.871%0.71331%0.309SS*.SBendtrans-74.1-24.1171.254.10000112.8D468S382-D468 PolarHBondContact O-N 3.06Å
383H96.2Very high94.7Very high45 Ų4564.6 Ų64.621%0.20833%0.334CS..EExtended strand (participates in β ladder)trans-141.9127.7-179.7-157.7129.4000110.9Q381 Y385 D468 T470Q381-H383 VanDerWaalsContact C-N 3.3Å; H383-Y385 HydrophobicContact CB-CE2 4.02Å; H383-Y385 AromaticContact CD2-CD2 3.76Å; H383-Y385 AromaticContact CD2-CE1 3.77Å; H383-Y385 AromaticContact CD2-CE2 3.27Å; H383-Y385 WeakPolarHBondContact CD2-CE2 3.43Å; H383-Y385 AromaticContact CD2-CZ 3.27Å; H383-Y385 AromaticContact CE1-CZ 3.8Å; H383-Y385 PolarHBondContact CE1-OH 2.96Å; H383-Y385 AromaticContact CG-CE2 3.63Å; H383-Y385 AromaticContact CG-CZ 3.71Å; H383-Y385 AromaticContact ND1-CZ 4Å; H383-Y385 PolarHBondContact ND1-OH 2.8Å; H383-Y385 AromaticContact NE2-CE1 3.51Å; H383-Y385 AromaticContact NE2-CE2 3.88Å; H383-Y385 AromaticContact NE2-CZ 3.36Å; H383-Y385 PolarHBondContact NE2-OH 3.03Å; H383-D468 CarbonylContact C-O 3.25Å; H383-D468 VanDerWaalsContact CA-O 3.27Å; H383-D468 WeakPolarHBondContact CA-O 3.3Å; H383-T470 PolarHBondContact CE1-OG1 3.01Å; H383-T470 PolarHBondContact NE2-OG1 3.14Å
384Y95.5Very high94.7Very high6 Ų668.3 Ų68.32%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-106.4134.1175.2-64.1-90.8000111.5F379 S380 Q381 F386 I401 N402 I453 A467 D468 V469 T470F379-Y384 HydrophobicContact CB-CE2 4.45Å; F379-Y384 HydrophobicContact CD1-CE2 4.34Å; S380-Y384 PolarHBondContact N-OH 3.46Å; S380-Y384 PolarHBondContact OG-OH 3.35Å; Q381-Y384 HydrophobicContact CB-CD1 4.31Å; Q381-Y384 HydrophobicContact CB-CD2 4.47Å; Q381-Y384 HydrophobicContact CB-CE1 3.9Å; Q381-Y384 HydrophobicContact CB-CE2 4.07Å; Q381-Y384 HydrophobicContact CG-CE1 4.01Å; Q381-Y384 PolarHBondContact N-OH 3.3Å; Q381-Y384 WeakPolarHBondContact O-CE2 3.48Å; Q381-Y384 VanDerWaalsContact OE1-CD1 3.32Å; Y384-F386 HydrophobicContact CD1-CZ 4.05Å; Y384-F386 HydrophobicContact CG-CZ 4.2Å; Y384-I401 HydrophobicContact CD1-CD1 3.87Å; Y384-I401 HydrophobicContact CD2-CD1 4.08Å; Y384-I401 HydrophobicContact CE1-CD1 4.04Å; Y384-I401 HydrophobicContact CE2-CD1 4.24Å; Y384-I401 HydrophobicContact CE2-CG2 4.48Å; Y384-I401 HydrophobicContact CG-CD1 3.89Å; Y384-N402 PolarHBondContact OH-O 3.3Å; Y384-I453 HydrophobicContact CD2-CD1 3.65Å; Y384-I453 HydrophobicContact CE2-CD1 3.63Å; Y384-A467 HydrophobicContact CD2-CB 4.23Å; Y384-A467 HydrophobicContact CE2-CB 3.97Å; Y384-D468 PolarHBondContact N-O 2.97Å; Y384-V469 WeakPolarHBondContact O-CA 3.32Å; Y384-T470 PolarHBondContact O-N 2.54Å
385Y96Very high94.7Very high148 Ų14866.6 Ų66.658%0.5836%0.355SS*.EExtended strand (participates in β ladder)trans-118.5124.6178.3-66.3-88.1000109.9H383 T470H383-Y385 HydrophobicContact CB-CE2 4.02Å; H383-Y385 AromaticContact CD2-CD2 3.76Å; H383-Y385 AromaticContact CD2-CE1 3.77Å; H383-Y385 AromaticContact CD2-CE2 3.27Å; H383-Y385 WeakPolarHBondContact CD2-CE2 3.43Å; H383-Y385 AromaticContact CD2-CZ 3.27Å; H383-Y385 AromaticContact CE1-CZ 3.8Å; H383-Y385 PolarHBondContact CE1-OH 2.96Å; H383-Y385 AromaticContact CG-CE2 3.63Å; H383-Y385 AromaticContact CG-CZ 3.71Å; H383-Y385 AromaticContact ND1-CZ 4Å; H383-Y385 PolarHBondContact ND1-OH 2.8Å; H383-Y385 AromaticContact NE2-CE1 3.51Å; H383-Y385 AromaticContact NE2-CE2 3.88Å; H383-Y385 AromaticContact NE2-CZ 3.36Å; H383-Y385 PolarHBondContact NE2-OH 3.03Å; Y385-T470 WeakPolarHBondContact CA-O 3.33Å; Y385-T470 HydrophobicContact CD1-CG2 4.3Å; Y385-T470 HydrophobicContact CE1-CG2 4.39Å
386F95.1Very high94.8Very high23 Ų2365.6 Ų65.610%0.10136%0.355CS..EExtended strand (participates in β ladder)trans-129151.4176.8-52.3-54.2000111.1Y384 I398 N399 I401 I435 V469 T470 I471 T472Y384-F386 HydrophobicContact CD1-CZ 4.05Å; Y384-F386 HydrophobicContact CG-CZ 4.2Å; F386-I398 HydrophobicContact CB-CG2 4.05Å; F386-I398 HydrophobicContact CD2-CG2 4.28Å; F386-I398 HydrophobicContact CG-CG2 4.12Å; F386-N399 HydrophobicContact CD1-CB 4.23Å; F386-N399 HydrophobicContact CE1-CB 3.75Å; F386-N399 WeakPolarHBondContact CE1-ND2 3.23Å; F386-N399 HydrophobicContact CE2-CB 4.42Å; F386-N399 HydrophobicContact CZ-CB 3.83Å; F386-I401 HydrophobicContact CE2-CD1 4.22Å; F386-I401 HydrophobicContact CZ-CD1 3.98Å; F386-I435 HydrophobicContact CE2-CD1 4.43Å; F386-V469 HydrophobicContact CD2-CG1 3.85Å; F386-V469 HydrophobicContact CE2-CG1 3.84Å; F386-T470 PolarHBondContact N-O 3.31Å; F386-I471 HydrophobicContact CB-CG1 4.19Å; F386-I471 HydrophobicContact CD2-CD1 4.16Å; F386-I471 HydrophobicContact CD2-CG1 4.13Å; F386-I471 CarbonylContact O-C 3.4Å; F386-I471 VanDerWaalsContact O-CA 3.31Å; F386-I471 WeakPolarHBondContact O-CA 3.49Å; F386-T472 PolarHBondContact O-N 2.86Å
387N95.4Very high94.8Very high102 Ų10266 Ų6655%0.54536%0.356SS..EExtended strand (participates in β ladder)trans-120.1131.2173.8-58.3-14.2000107.6T472 Q474N387-T472 WeakPolarHBondContact CA-O 3.31Å; N387-T472 PolarHBondContact OD1-OG1 3Å; N387-Q474 HydrophobicContact CB-CG 4.08Å
388I95.3Very high94.6Very high13 Ų1367.7 Ų67.77%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-138.4138.9-178-168.3168000109.5T392 I398 V437 L441 I471 T472 I473 Q474I388-T392 HydrophobicContact CD1-CG2 3.83Å; I388-T392 HydrophobicContact CG1-CG2 4.04Å; I388-T392 WeakPolarHBondContact CG1-OG1 3.19Å; I388-I398 HydrophobicContact CD1-CD1 3.7Å; I388-I398 HydrophobicContact CD1-CG1 3.79Å; I388-V437 HydrophobicContact CD1-CG2 3.46Å; I388-V437 VanDerWaalsContact CD1-CG2 3.46Å; I388-L441 HydrophobicContact CD1-CD1 3.84Å; I388-L441 HydrophobicContact CG1-CD1 4.24Å; I388-L441 HydrophobicContact CG2-CD1 3.88Å; I388-I471 HydrophobicContact CB-CG2 4.29Å; I388-I471 HydrophobicContact CG2-CG2 3.42Å; I388-I471 VanDerWaalsContact CG2-CG2 3.42Å; I388-T472 PolarHBondContact N-O 2.91Å; I388-I473 HydrophobicContact CG2-CD1 3.42Å; I388-I473 VanDerWaalsContact CG2-CD1 3.42Å; I388-I473 CarbonylContact O-C 3.58Å; I388-I473 WeakPolarHBondContact O-CA 3.42Å; I388-Q474 PolarHBondContact O-N 3.23Å
389N94.9Very high94.5Very high68 Ų6867.1 Ų67.136%0.36436%0.363SS..EExtended strand (participates in β ladder)trans-70.9144.6175.1-61-12.4000109.8N391 T392 Q474 V476N389-N391 WeakPolarHBondContact CB-OD1 3.42Å; N389-N391 PolarHBondContact O-N 2.86Å; N389-T392 VanDerWaalsContact O-CB 3.3Å; N389-T392 WeakPolarHBondContact O-CB 3.42Å; N389-T392 PolarHBondContact O-N 3.09Å; N389-T392 VanDerWaalsContact O-N 3.12Å; N389-T392 PolarHBondContact O-OG1 3.34Å; N389-Q474 PolarHBondContact OD1-OE1 3.23Å; N389-Q474 VanDerWaalsContact OD1-OE1 3.1Å; N389-V476 HydrophobicContact CB-CG2 3.98Å
390E94.7Very high94.3Very high6 Ų670.3 Ų70.33%0.02838%0.376CS..THydrogen-bonded Turntrans-62-31.6177.468.5-163.4115.300113.6T392 L441 R443 I473 Q474 D475 V476E390-T392 PolarHBondContact O-N 3.44Å; E390-T392 VanDerWaalsContact O-N 3.08Å; E390-L441 VanDerWaalsContact O-O 3.06Å; E390-R443 HydrophobicContact CB-CB 4.29Å; E390-R443 WeakPolarHBondContact OE2-CB 3.32Å; E390-R443 PolarHBondContact OE2-N 3.47Å; E390-I473 HydrophobicContact CB-CG2 3.56Å; E390-Q474 PolarHBondContact N-O 3.16Å; E390-Q474 VanDerWaalsContact N-O 3.09Å; E390-D475 VanDerWaalsContact OE1-CA 3.31Å; E390-D475 WeakPolarHBondContact OE1-CA 3.35Å; E390-V476 HydrophobicContact CG-CB 3.84Å; E390-V476 HydrophobicContact CG-CG2 3.92Å; E390-V476 PolarHBondContact OE1-N 3.18Å
391N92.8Very high94.4Very high100 Ų10066.4 Ų66.454%0.53535%0.349SS..THydrogen-bonded Turntrans-76.511.9176.474.1-12.8000114.6N389 E393 V476N389-N391 WeakPolarHBondContact CB-OD1 3.42Å; N389-N391 PolarHBondContact O-N 2.86Å; N391-E393 PolarHBondContact O-N 3.21Å; N391-V476 HydrophobicContact CB-CG1 4.31Å; N391-V476 HydrophobicContact CB-CG2 4.22Å
392T94.9Very high94.3Very high25 Ų2565.6 Ų65.615%0.15335%0.348CS..PPolyproline II helixtrans-68.5126.9-179.4-58.20000111.1I388 N389 E390 T396 V437I388-T392 HydrophobicContact CD1-CG2 3.83Å; I388-T392 HydrophobicContact CG1-CG2 4.04Å; I388-T392 WeakPolarHBondContact CG1-OG1 3.19Å; N389-T392 VanDerWaalsContact O-CB 3.3Å; N389-T392 WeakPolarHBondContact O-CB 3.42Å; N389-T392 PolarHBondContact O-N 3.09Å; N389-T392 VanDerWaalsContact O-N 3.12Å; N389-T392 PolarHBondContact O-OG1 3.34Å; E390-T392 PolarHBondContact O-N 3.44Å; E390-T392 VanDerWaalsContact O-N 3.08Å; T392-T396 HydrophobicContact CG2-CG2 3.73Å; T392-V437 HydrophobicContact CG2-CG2 4.07Å
393E94.5Very high94.3Very high153 Ų15361.5 Ų61.572%0.71532%0.321SS*.PPolyproline II helixtrans-66.5145.9-177.6-63.3-177.517800112.7N391 G395 T396N391-E393 PolarHBondContact O-N 3.21Å; E393-G395 PolarHBondContact O-N 3.46Å; E393-T396 VanDerWaalsContact O-CB 3.26Å; E393-T396 WeakPolarHBondContact O-CB 3.19Å; E393-T396 PolarHBondContact O-N 2.97Å; E393-T396 PolarHBondContact O-OG1 3.44Å
394I95.6Very high94.3Very high98 Ų9864 Ų6450%0.50334%0.339SS..THydrogen-bonded Turntrans-59.1135.1173.4-63.4173.9000109.8L440I394-L440 HydrophobicContact CD1-CD2 3.94Å; I394-L440 HydrophobicContact CD1-CG 4.12Å; I394-L440 HydrophobicContact CG1-CD2 4.1Å
395G93.6Very high94.3Very high47 Ų4764.6 Ų64.649%0.48534%0.343SS..THydrogen-bonded Turntrans91.7-8.1-176.800000114.1E393 I397 V437E393-G395 PolarHBondContact O-N 3.46Å; G395-I397 PolarHBondContact O-N 2.67Å; G395-V437 PolarHBondContact N-O 2.87Å
396T95.5Very high94.2Very high59 Ų5960.4 Ų60.436%0.36233%0.333SS..  trans-63.7132175.2-56.70000110.6T392 E393 T436 V437T392-T396 HydrophobicContact CG2-CG2 3.73Å; E393-T396 VanDerWaalsContact O-CB 3.26Å; E393-T396 WeakPolarHBondContact O-CB 3.19Å; E393-T396 PolarHBondContact O-N 2.97Å; E393-T396 PolarHBondContact O-OG1 3.44Å; T396-T436 VanDerWaalsContact O-CA 3.23Å; T396-T436 WeakPolarHBondContact O-CA 3.37Å; T396-V437 PolarHBondContact O-N 2.92Å
397I95.6Very high94.2Very high97 Ų9759.8 Ų59.850%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-78.1121.7175.8-60.2169000109G395 Y434 I435 T436G395-I397 PolarHBondContact O-N 2.67Å; I397-Y434 HydrophobicContact CG2-CD1 3.52Å; I397-Y434 HydrophobicContact CG2-CE1 4.18Å; I397-Y434 HydrophobicContact CG2-CG 4.23Å; I397-I435 WeakPolarHBondContact CA-O 3.46Å; I397-T436 HydrophobicContact CB-CG2 4.5Å; I397-T436 HydrophobicContact CG1-CG2 3.84Å
398I92Very high94Very high36 Ų3660.3 Ų60.319%0.18533%0.331CS..EExtended strand (participates in β ladder)trans-81.7-58.5178.6-54.2-178.5000109.6F386 I388 F426 I435 V437 I471F386-I398 HydrophobicContact CB-CG2 4.05Å; F386-I398 HydrophobicContact CD2-CG2 4.28Å; F386-I398 HydrophobicContact CG-CG2 4.12Å; I388-I398 HydrophobicContact CD1-CD1 3.7Å; I388-I398 HydrophobicContact CD1-CG1 3.79Å; I398-F426 HydrophobicContact CD1-CD1 3.39Å; I398-F426 HydrophobicContact CD1-CE1 3.32Å; I398-F426 HydrophobicContact CD1-CZ 4.42Å; I398-I435 HydrophobicContact CD1-CG2 4.11Å; I398-I435 PolarHBondContact N-O 3.12Å; I398-V437 HydrophobicContact CD1-CG2 3.95Å; I398-V437 HydrophobicContact CG1-CG2 4.06Å; I398-I471 HydrophobicContact CD1-CD1 3.95Å
399N92.2Very high93.9Very high73 Ų7362 Ų6239%0.3935%0.35SS..EExtended strand (participates in β ladder)trans-161.8170.6179.5-148.7-21.9000111F386 I435F386-N399 HydrophobicContact CD1-CB 4.23Å; F386-N399 HydrophobicContact CE1-CB 3.75Å; F386-N399 WeakPolarHBondContact CE1-ND2 3.23Å; F386-N399 HydrophobicContact CE2-CB 4.42Å; F386-N399 HydrophobicContact CZ-CB 3.83Å; N399-I435 PolarHBondContact O-N 2.9Å
400K92.7Very high93.8Very high89 Ų8963.3 Ų63.339%0.38736%0.355SS..EExtended strand (participates in β ladder)trans-103.3126.9170.5-167.1-173.6174.7-170.60109.8N402 T432 Y434K400-N402 WeakPolarHBondContact CE-OD1 3.14Å; K400-T432 WeakPolarHBondContact CE-O 3.33Å; K400-Y434 HydrophobicContact CB-CD1 3.71Å; K400-Y434 HydrophobicContact CB-CE1 3.55Å; K400-Y434 HydrophobicContact CD-CE1 4.12Å; K400-Y434 HydrophobicContact CD-CE2 4.44Å; K400-Y434 HydrophobicContact CG-CD1 4.02Å; K400-Y434 HydrophobicContact CG-CE1 3.9Å; K400-Y434 HydrophobicContact CG-CG 4.46Å
401I92.6Very high93.8Very high2 Ų264.5 Ų64.51%0.0136%0.361CS..  trans-86.1135.5168.5-59.5-57.5000109F379 Y384 F386 G433 I435 I453F379-I401 HydrophobicContact CD1-CG2 3.65Å; F379-I401 HydrophobicContact CE1-CG2 3.52Å; Y384-I401 HydrophobicContact CD1-CD1 3.87Å; Y384-I401 HydrophobicContact CD2-CD1 4.08Å; Y384-I401 HydrophobicContact CE1-CD1 4.04Å; Y384-I401 HydrophobicContact CE2-CD1 4.24Å; Y384-I401 HydrophobicContact CE2-CG2 4.48Å; Y384-I401 HydrophobicContact CG-CD1 3.89Å; F386-I401 HydrophobicContact CE2-CD1 4.22Å; F386-I401 HydrophobicContact CZ-CD1 3.98Å; I401-G433 PolarHBondContact N-O 3.27Å; I401-I435 HydrophobicContact CD1-CD1 3.92Å; I401-I435 HydrophobicContact CG1-CD1 3.56Å; I401-I435 HydrophobicContact CG1-CG1 4.08Å; I401-I453 HydrophobicContact CB-CD1 4.31Å; I401-I453 HydrophobicContact CD1-CD1 3.78Å; I401-I453 HydrophobicContact CG1-CD1 3.83Å; I401-I453 HydrophobicContact CG2-CD1 3.54Å
402N91.5Very high93.9Very high85 Ų8561.7 Ų61.746%0.45535%0.35SS..  trans-115.3128173.7-69.9-17.1000109.6S380 Y384 K400S380-N402 PolarHBondContact N-O 3.09Å; Y384-N402 PolarHBondContact OH-O 3.3Å; K400-N402 WeakPolarHBondContact CE-OD1 3.14Å
403A94.5Very high93.9Very high17 Ų1765.5 Ų65.514%0.1436%0.364CS..EExtended strand (participates in β ladder)trans-125.9153.2163.700000108.5I378 F379 L414 F416 A455I378-A403 CarbonylContact O-C 3.54Å; I378-A403 WeakPolarHBondContact O-CA 3.45Å; F379-A403 HydrophobicContact CD1-CB 3.83Å; F379-A403 HydrophobicContact CE1-CB 3.95Å; F379-A403 HydrophobicContact CG-CB 4.28Å; A403-L414 HydrophobicContact CB-CD1 3.7Å; A403-L414 WeakPolarHBondContact O-CD1 3.27Å; A403-F416 HydrophobicContact CB-CE1 3.93Å; A403-F416 HydrophobicContact CB-CZ 4.26Å; A403-A455 HydrophobicContact CB-CB 4.07Å
404T94.6Very high94Very high98 Ų9859.3 Ų59.360%0.60134%0.336SS*.EExtended strand (participates in β ladder)trans-131.2141.5179.153.80000109.3I378I378-T404 PolarHBondContact N-O 3.48Å; I378-T404 PolarHBondContact O-N 3.22Å
405D95.8Very high94Very high18 Ų1857.3 Ų57.310%0.09633%0.328CS..  trans-126.4125.4176.4-166.6-57.5000107.3P377 D407 L414P377-D405 VanDerWaalsContact CD-OD2 3.27Å; P377-D405 WeakPolarHBondContact CD-OD2 3.23Å; P377-D405 WeakPolarHBondContact CG-OD2 3.39Å; D405-D407 VanDerWaalsContact C-N 3.29Å; D405-D407 WeakPolarHBondContact OD1-CB 3.09Å; D405-D407 PolarHBondContact OD1-N 3.09Å; D405-D407 VanDerWaalsContact OD1-N 3.09Å; D405-L414 HydrophobicContact CB-CD2 4.02Å
406P93.5Very high94.1Very high59 Ų5955.9 Ų55.938%0.38331%0.308SS..  trans-77.7-10.8-173.235.2-38000113.9R339 E340 E375R339-P406 PolarHBondContact NH2-O 3.01Å; E340-P406 HydrophobicContact CG-CB 3.85Å; E340-P406 HydrophobicContact CG-CG 4.1Å; E375-P406 HydrophobicContact CB-CG 3.46Å; E375-P406 VanDerWaalsContact CB-CG 3.46Å; E375-P406 HydrophobicContact CG-CG 3.62Å
407D95.7Very high94.2Very high10 Ų1057.4 Ų57.45%0.05331%0.308CS..SBendtrans-67.4-172.9-179.6-65.9-5.5000111.7N373 D374 E375 D405 N411 S412N373-D407 WeakPolarHBondContact CA-OD2 3.12Å; N373-D407 PolarHBondContact OD1-OD2 2.72Å; D374-D407 PolarHBondContact N-OD2 3.36Å; E375-D407 WeakPolarHBondContact CB-OD1 3.31Å; D405-D407 VanDerWaalsContact C-N 3.29Å; D405-D407 WeakPolarHBondContact OD1-CB 3.09Å; D405-D407 PolarHBondContact OD1-N 3.09Å; D405-D407 VanDerWaalsContact OD1-N 3.09Å; D407-N411 HydrophobicContact CB-CB 3.57Å; D407-S412 VanDerWaalsContact O-CB 3.26Å; D407-S412 WeakPolarHBondContact O-CB 3.09Å
408E92.1Very high94.3Very high114 Ų11454.2 Ų54.253%0.53329%0.292SS..  trans-113.9143.2-178-157.7173.8168.100114.1R339 D371 E410 N411R339-E408 IonicContact CZ-OE2 2.99Å; R339-E408 IonicContact NH1-OE2 3.29Å; R339-E408 PolarHBondContact NH1-OE2 2.75Å; D371-E408 HydrophobicContact CB-CB 3.97Å; D371-E408 WeakPolarHBondContact OD1-CB 3.36Å; D371-E408 PolarHBondContact OD1-N 2.94Å; D371-E408 PolarHBondContact OD2-N 3.1Å; E408-E410 PolarHBondContact O-N 3.22Å; E408-N411 WeakPolarHBondContact O-CB 3.5Å; E408-N411 PolarHBondContact O-N 3.44Å
409G92.7Very high94.5Very high47 Ų4754.3 Ų54.349%0.48530%0.295SS..THydrogen-bonded Turntrans63.7-125.1167.900000112N411 S412 K413G409-N411 VanDerWaalsContact C-N 3.29Å; G409-N411 PolarHBondContact O-N 2.78Å; G409-S412 PolarHBondContact N-OG 3.39Å; G409-S412 PolarHBondContact O-N 2.93Å; G409-S412 VanDerWaalsContact O-N 3.16Å; G409-S412 PolarHBondContact O-OG 3.47Å; G409-K413 WeakPolarHBondContact O-CB 3.36Å; G409-K413 PolarHBondContact O-N 3.06Å
410E93.4Very high94.6Very high97 Ų9753.3 Ų53.345%0.45330%0.302SS..THydrogen-bonded Turntrans-67.7-27.9-179.2-67-62147.300112.9E408 S412 K413 N458E408-E410 PolarHBondContact O-N 3.22Å; E410-S412 PolarHBondContact O-N 3.3Å; E410-K413 PolarHBondContact O-N 2.74Å; E410-K413 VanDerWaalsContact O-N 3.16Å; E410-K413 IonicContact OE1-NZ 3.51Å; E410-K413 PolarHBondContact OE1-NZ 3.44Å; E410-K413 WeakPolarHBondContact OE2-CD 3.44Å; E410-K413 IonicContact OE2-NZ 2.63Å; E410-K413 PolarHBondContact OE2-NZ 2.93Å; E410-N458 HydrophobicContact CB-CB 4.14Å; E410-N458 CarbonylContact O-C 3.52Å; E410-N458 WeakPolarHBondContact O-CA 3.31Å; E410-N458 WeakPolarHBondContact O-CB 2.98Å; E410-N458 PolarHBondContact O-N 3.36Å; E410-N458 WeakPolarHBondContact OE2-CB 3.43Å; E410-N458 PolarHBondContact OE2-ND2 2.77Å
411N93.8Very high94.5Very high30 Ų3057.5 Ų57.516%0.1632%0.323CS..THydrogen-bonded Turntrans-67.4-24.7173.9-64-10.3000111.5D371 N373 D407 E408 G409 D457 G459D371-N411 WeakPolarHBondContact OD2-CB 3.35Å; D371-N411 PolarHBondContact OD2-ND2 2.81Å; N373-N411 HydrophobicContact CB-CB 4.16Å; N373-N411 PolarHBondContact N-ND2 2.85Å; N373-N411 VanDerWaalsContact OD1-CA 3.31Å; N373-N411 WeakPolarHBondContact OD1-CA 3.16Å; N373-N411 WeakPolarHBondContact OD1-CB 3.5Å; N373-N411 PolarHBondContact OD1-O 3.07Å; D407-N411 HydrophobicContact CB-CB 3.57Å; E408-N411 WeakPolarHBondContact O-CB 3.5Å; E408-N411 PolarHBondContact O-N 3.44Å; G409-N411 VanDerWaalsContact C-N 3.29Å; G409-N411 PolarHBondContact O-N 2.78Å; N411-D457 WeakPolarHBondContact O-CB 3.4Å; N411-G459 WeakPolarHBondContact OD1-CA 3.2Å
412S94.5Very high94.5Very high42 Ų4258.6 Ų58.629%0.29433%0.329SS..THydrogen-bonded Turntrans-94.3-5.3172.772.80000115.2D407 G409 E410 L414D407-S412 VanDerWaalsContact O-CB 3.26Å; D407-S412 WeakPolarHBondContact O-CB 3.09Å; G409-S412 PolarHBondContact N-OG 3.39Å; G409-S412 PolarHBondContact O-N 2.93Å; G409-S412 VanDerWaalsContact O-N 3.16Å; G409-S412 PolarHBondContact O-OG 3.47Å; E410-S412 PolarHBondContact O-N 3.3Å; S412-L414 PolarHBondContact O-N 3.27Å
413K95.1Very high94.6Very high104 Ų10455.1 Ų55.145%0.45231%0.312SS..  trans-91.3108.6-166.9-177.6164.2146-134.70111.5G409 E410 D457 N458G409-K413 WeakPolarHBondContact O-CB 3.36Å; G409-K413 PolarHBondContact O-N 3.06Å; E410-K413 PolarHBondContact O-N 2.74Å; E410-K413 VanDerWaalsContact O-N 3.16Å; E410-K413 IonicContact OE1-NZ 3.51Å; E410-K413 PolarHBondContact OE1-NZ 3.44Å; E410-K413 WeakPolarHBondContact OE2-CD 3.44Å; E410-K413 IonicContact OE2-NZ 2.63Å; E410-K413 PolarHBondContact OE2-NZ 2.93Å; K413-D457 CarbonylContact O-C 3.56Å; K413-D457 WeakPolarHBondContact O-CA 3.41Å; K413-N458 PolarHBondContact O-N 2.83Å; K413-N458 PolarHBondContact O-ND2 3.48Å
414L95.8Very high94.6Very high24 Ų2457.6 Ų57.613%0.12632%0.323CS..  trans-87.8140.9-168.6-55.8-177.3000114.6P377 A403 D405 S412 F416 A456 D457P377-L414 HydrophobicContact CB-CD1 4.37Å; P377-L414 HydrophobicContact CB-CD2 3.64Å; P377-L414 HydrophobicContact CG-CD2 3.47Å; P377-L414 VanDerWaalsContact CG-CD2 3.47Å; A403-L414 HydrophobicContact CB-CD1 3.7Å; A403-L414 WeakPolarHBondContact O-CD1 3.27Å; D405-L414 HydrophobicContact CB-CD2 4.02Å; S412-L414 PolarHBondContact O-N 3.27Å; L414-F416 HydrophobicContact CB-CE2 4.02Å; L414-F416 HydrophobicContact CB-CZ 3.97Å; L414-F416 HydrophobicContact CD1-CZ 4.09Å; L414-A456 CarbonylContact C-O 3.59Å; L414-A456 VanDerWaalsContact CA-O 3.29Å; L414-A456 WeakPolarHBondContact CA-O 3.43Å; L414-D457 HydrophobicContact CD2-CB 4.4Å
415T96.2Very high94.6Very high56 Ų5655 Ų5534%0.34430%0.303SS..EExtended strand (participates in β ladder)trans-118.7128.8167.8-60.10000109.9W417 K430 A455 A456 N458T415-W417 WeakPolarHBondContact O-CZ3 3.35Å; T415-K430 WeakPolarHBondContact CA-O 3.26Å; T415-K430 HydrophobicContact CG2-CB 4.43Å; T415-A455 WeakPolarHBondContact O-CA 3.49Å; T415-A456 PolarHBondContact N-O 3.07Å; T415-A456 PolarHBondContact O-N 3.16Å; T415-N458 PolarHBondContact OG1-OD1 3.35Å
416F97Very high94.7Very high16 Ų1654.3 Ų54.37%0.0730%0.299CS..EExtended strand (participates in β ladder)trans-105.7143.5-177.8-58.5-85.6000113.1F379 A403 L414 I428 K430 H454 A455F379-F416 HydrophobicContact CE1-CD1 4.46Å; F379-F416 HydrophobicContact CE1-CE1 4.21Å; A403-F416 HydrophobicContact CB-CE1 3.93Å; A403-F416 HydrophobicContact CB-CZ 4.26Å; L414-F416 HydrophobicContact CB-CE2 4.02Å; L414-F416 HydrophobicContact CB-CZ 3.97Å; L414-F416 HydrophobicContact CD1-CZ 4.09Å; F416-I428 HydrophobicContact CB-CD1 3.78Å; F416-I428 HydrophobicContact CB-CG1 4.2Å; F416-I428 HydrophobicContact CG-CD1 4.43Å; F416-K430 WeakPolarHBondContact CD2-O 3.41Å; F416-K430 PolarHBondContact N-O 3.26Å; F416-H454 VanDerWaalsContact CA-O 3.3Å; F416-H454 WeakPolarHBondContact CA-O 3.3Å; F416-A455 HydrophobicContact CD1-CB 3.83Å; F416-A455 HydrophobicContact CE1-CB 3.67Å
417W96.8Very high94.8Very high92 Ų9255.5 Ų55.535%0.34830%0.302SS..EExtended strand (participates in β ladder)trans-149.4161.4169.470.796.9000112.3T415 H454 A456 N464T415-W417 WeakPolarHBondContact O-CZ3 3.35Å; W417-H454 AromaticContact CD1-CD2 3.89Å; W417-H454 HydrophobicContact CD2-CB 3.56Å; W417-H454 AromaticContact CE2-CD2 3.97Å; W417-H454 AromaticContact CE2-CG 3.54Å; W417-H454 HydrophobicContact CE3-CB 3.89Å; W417-H454 HydrophobicContact CG-CB 4.19Å; W417-H454 HydrophobicContact CH2-CB 3.58Å; W417-H454 HydrophobicContact CZ2-CB 3.24Å; W417-H454 AromaticContact CZ2-CG 3.62Å; W417-H454 AromaticContact CZ2-ND1 3.88Å; W417-H454 HydrophobicContact CZ3-CB 3.89Å; W417-H454 PolarHBondContact N-O 3.48Å; W417-H454 AromaticContact NE1-CD2 3.44Å; W417-H454 PolarHBondContact NE1-CD2 2.69Å; W417-H454 AromaticContact NE1-CG 3.49Å; W417-H454 PolarHBondContact O-N 3.39Å; W417-A456 HydrophobicContact CH2-CB 3.67Å; W417-A456 HydrophobicContact CZ3-CB 3.46Å; W417-A456 VanDerWaalsContact CZ3-CB 3.46Å; W417-N464 HydrophobicContact CH2-CB 4.01Å
418L97Very high94.8Very high30 Ų3055.4 Ų55.416%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-103.3151.1177.4-52.3-174.5000111A423 F426 I428 F451 R452 I453L418-A423 HydrophobicContact CB-CB 3.88Å; L418-F426 HydrophobicContact CD1-CB 3.81Å; L418-I428 HydrophobicContact CD1-CB 4.27Å; L418-I428 HydrophobicContact CD1-CG2 4.43Å; L418-I428 HydrophobicContact CD2-CB 3.89Å; L418-I428 HydrophobicContact CD2-CD1 4.01Å; L418-I428 HydrophobicContact CD2-CG2 3.84Å; L418-I428 HydrophobicContact CG-CB 3.9Å; L418-I428 HydrophobicContact CG-CG2 3.63Å; L418-F451 HydrophobicContact CD1-CE2 4.2Å; L418-F451 HydrophobicContact CD2-CD2 4.21Å; L418-F451 HydrophobicContact CD2-CE2 3.91Å; L418-R452 WeakPolarHBondContact CA-O 3.36Å; L418-I453 HydrophobicContact CD2-CB 4.34Å; L418-I453 HydrophobicContact CD2-CG2 3.42Å; L418-I453 VanDerWaalsContact CD2-CG2 3.42Å
419S96.5Very high95Very high38 Ų3853.6 Ų53.627%0.26630%0.295SS..EExtended strand (participates in β ladder)trans-149.4161.3172.176.50000111.7F451 R452 H454S419-F451 WeakPolarHBondContact O-CB 3.18Å; S419-R452 PolarHBondContact N-O 2.85Å; S419-R452 PolarHBondContact O-N 2.86Å; S419-H454 PolarHBondContact OG-CD2 2.79Å; S419-H454 PolarHBondContact OG-NE2 3.04Å
420G94.3Very high95.2Very high52 Ų5258.5 Ų58.554%0.53630%0.303SS..SBendtrans111.6172179.900000112.4N422 A423G420-N422 VanDerWaalsContact C-N 3.27Å; G420-N422 PolarHBondContact O-N 2.92Å; G420-A423 WeakPolarHBondContact O-CB 3.49Å; G420-A423 PolarHBondContact O-N 2.87Å
421Q90.7Very high95.2Very high177 Ų17759.3 Ų59.383%0.82732%0.315SS*.THydrogen-bonded Turntrans-59.8-36.2-169.5-172.2170.114.200113.4N424Q421-N424 PolarHBondContact O-OD1 2.72Å
422N93.1Very high95.2Very high24 Ų2460.5 Ų60.513%0.12832%0.323CS..THydrogen-bonded Turntrans-106.29.7-175-63.4-15.1000113.2G420 N424 Y425 L449G420-N422 VanDerWaalsContact C-N 3.27Å; G420-N422 PolarHBondContact O-N 2.92Å; N422-N424 PolarHBondContact O-N 2.84Å; N422-Y425 HydrophobicContact CB-CD2 4.24Å; N422-Y425 PolarHBondContact O-N 2.71Å; N422-L449 HydrophobicContact CB-CB 4.1Å; N422-L449 HydrophobicContact CB-CD2 3.74Å
423A93.3Very high95.2Very high12 Ų1258.5 Ų58.510%0.09931%0.309CS..G310 helixtrans-63.6-29.9179.200000112.2L418 G420 Y425 F426 F451L418-A423 HydrophobicContact CB-CB 3.88Å; G420-A423 WeakPolarHBondContact O-CB 3.49Å; G420-A423 PolarHBondContact O-N 2.87Å; A423-Y425 PolarHBondContact O-N 3.13Å; A423-Y425 VanDerWaalsContact O-N 3.16Å; A423-F426 CarbonylContact O-C 3.38Å; A423-F426 PolarHBondContact O-N 3.04Å; A423-F451 HydrophobicContact CB-CB 4.1Å
424N94.4Very high95.2Very high69 Ų6958.2 Ų58.237%0.36931%0.306SS..G310 helixtrans-67.5-8.4-179.266.5-22.9000115Q421 N422 F426 K439Q421-N424 PolarHBondContact O-OD1 2.72Å; N422-N424 PolarHBondContact O-N 2.84Å; N424-F426 VanDerWaalsContact C-N 3.26Å; N424-K439 PolarHBondContact ND2-NZ 2.88Å; N424-K439 VanDerWaalsContact O-CD 3.23Å; N424-K439 WeakPolarHBondContact O-CD 3.49Å; N424-K439 WeakPolarHBondContact O-CE 3.29Å; N424-K439 WeakPolarHBondContact O-CG 3.42Å
425Y95.7Very high95.3Very high44 Ų4457 Ų5717%0.17330%0.3CS..G310 helixtrans-78.9-15.3171-74.3-90000112.3N422 A423 Q438 K439 L441 L449N422-Y425 HydrophobicContact CB-CD2 4.24Å; N422-Y425 PolarHBondContact O-N 2.71Å; A423-Y425 PolarHBondContact O-N 3.13Å; A423-Y425 VanDerWaalsContact O-N 3.16Å; Y425-Q438 PolarHBondContact O-N 3.11Å; Y425-K439 HydrophobicContact CD1-CB 3.92Å; Y425-K439 HydrophobicContact CD1-CD 4.41Å; Y425-K439 PolarHBondContact O-N 2.97Å; Y425-L441 HydrophobicContact CD1-CD2 3.86Å; Y425-L441 HydrophobicContact CG-CD2 4.46Å; Y425-L449 HydrophobicContact CD1-CD1 4.32Å; Y425-L449 HydrophobicContact CD2-CD1 4.31Å; Y425-L449 HydrophobicContact CD2-CD2 3.88Å; Y425-L449 HydrophobicContact CE2-CD2 3.9Å; Y425-L449 HydrophobicContact CG-CD1 3.99Å; Y425-L449 HydrophobicContact CG-CD2 4.34Å
426F96.3Very high95.2Very high4 Ų455.8 Ų55.82%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-131.8154.9-173-53.3-74.6000110.9I398 L418 A423 N424 I435 T436 V437 Q438 L441 L449 F451 I471I398-F426 HydrophobicContact CD1-CD1 3.39Å; I398-F426 HydrophobicContact CD1-CE1 3.32Å; I398-F426 HydrophobicContact CD1-CZ 4.42Å; L418-F426 HydrophobicContact CD1-CB 3.81Å; A423-F426 CarbonylContact O-C 3.38Å; A423-F426 PolarHBondContact O-N 3.04Å; N424-F426 VanDerWaalsContact C-N 3.26Å; F426-I435 HydrophobicContact CB-CG2 3.99Å; F426-I435 HydrophobicContact CD1-CG2 4.37Å; F426-I435 HydrophobicContact CG-CG2 4.36Å; F426-T436 CarbonylContact C-O 3.56Å; F426-T436 WeakPolarHBondContact CA-O 3.48Å; F426-V437 HydrophobicContact CE1-CG2 4.41Å; F426-Q438 PolarHBondContact O-OE1 3.44Å; F426-L441 HydrophobicContact CZ-CD2 4.27Å; F426-L449 HydrophobicContact CE2-CB 4.1Å; F426-L449 HydrophobicContact CE2-CD1 3.61Å; F426-L449 HydrophobicContact CE2-CG 4.49Å; F426-L449 HydrophobicContact CZ-CD1 3.59Å; F426-F451 AromaticContact CD2-CD1 3.95Å; F426-F451 HydrophobicContact CD2-CD1 3.95Å; F426-F451 AromaticContact CD2-CE1 3.35Å; F426-F451 HydrophobicContact CD2-CE1 3.35Å; F426-F451 AromaticContact CD2-CZ 3.79Å; F426-F451 HydrophobicContact CD2-CZ 3.79Å; F426-F451 HydrophobicContact CE2-CD1 4.12Å; F426-F451 AromaticContact CE2-CE1 3.51Å; F426-F451 HydrophobicContact CE2-CE1 3.51Å; F426-F451 HydrophobicContact CE2-CZ 4.3Å; F426-F451 HydrophobicContact CG-CE1 4.24Å; F426-F451 HydrophobicContact CG-CZ 4.27Å; F426-I471 HydrophobicContact CD1-CD1 4.29Å; F426-I471 HydrophobicContact CD2-CD1 4.36Å; F426-I471 HydrophobicContact CE1-CD1 3.79Å; F426-I471 HydrophobicContact CE2-CD1 3.85Å; F426-I471 HydrophobicContact CZ-CB 4.33Å; F426-I471 HydrophobicContact CZ-CD1 3.55Å; F426-I471 HydrophobicContact CZ-CG1 4.4Å; F426-I471 HydrophobicContact CZ-CG2 4.23Å
427D95.8Very high95.2Very high84 Ų8455.1 Ų55.145%0.44929%0.289SS..EExtended strand (participates in β ladder)trans-121.3151.9168.6-171.226000109.4I435 T436 Q438D427-I435 CarbonylContact O-C 3.55Å; D427-I435 WeakPolarHBondContact O-CA 3.36Å; D427-T436 PolarHBondContact N-O 3.44Å; D427-T436 PolarHBondContact O-N 2.89Å; D427-T436 PolarHBondContact O-OG1 3.42Å; D427-Q438 HydrophobicContact CB-CB 4.31Å
428I96.8Very high95.1Very high7 Ų755.4 Ų55.44%0.03629%0.294CS..EExtended strand (participates in β ladder)trans-124.1131.7176.8-168.3165.6000110.6F416 L418 K430 Y434 I435F416-I428 HydrophobicContact CB-CD1 3.78Å; F416-I428 HydrophobicContact CB-CG1 4.2Å; F416-I428 HydrophobicContact CG-CD1 4.43Å; L418-I428 HydrophobicContact CD1-CB 4.27Å; L418-I428 HydrophobicContact CD1-CG2 4.43Å; L418-I428 HydrophobicContact CD2-CB 3.89Å; L418-I428 HydrophobicContact CD2-CD1 4.01Å; L418-I428 HydrophobicContact CD2-CG2 3.84Å; L418-I428 HydrophobicContact CG-CB 3.9Å; L418-I428 HydrophobicContact CG-CG2 3.63Å; I428-K430 PolarHBondContact O-N 3.31Å; I428-K430 VanDerWaalsContact O-N 3.12Å; I428-Y434 WeakPolarHBondContact CA-O 3.28Å; I428-I435 HydrophobicContact CD1-CG1 4.01Å; I428-I435 HydrophobicContact CG1-CG1 4.19Å
429N96.5Very high95Very high76 Ų7658.1 Ų58.141%0.40631%0.305SS..  trans-67.1116.8170.8-174.1-58.8000109.7V431 T432 G433 Y434N429-V431 PolarHBondContact O-N 3.24Å; N429-V431 PolarHBondContact OD1-N 2.84Å; N429-T432 WeakPolarHBondContact CB-OG1 3.15Å; N429-T432 PolarHBondContact O-N 2.94Å; N429-T432 PolarHBondContact OD1-N 3.15Å; N429-T432 PolarHBondContact OD1-OG1 3.36Å; N429-G433 WeakPolarHBondContact O-CA 3.27Å; N429-G433 PolarHBondContact O-N 2.97Å; N429-Y434 PolarHBondContact N-O 3Å
430K95.8Very high94.8Very high150 Ų15062.7 Ų62.765%0.65233%0.326SS*.THydrogen-bonded Turntrans-52.7-31-175.6-34.7-177.5-172.3-177.20114.2T415 F416 I428T415-K430 WeakPolarHBondContact CA-O 3.26Å; T415-K430 HydrophobicContact CG2-CB 4.43Å; F416-K430 WeakPolarHBondContact CD2-O 3.41Å; F416-K430 PolarHBondContact N-O 3.26Å; I428-K430 PolarHBondContact O-N 3.31Å; I428-K430 VanDerWaalsContact O-N 3.12Å
431V93.8Very high94.8Very high115 Ų11560.9 Ų60.970%0.69730%0.303SS*.THydrogen-bonded Turntrans-104.7-42.5-174.3-177.70000111.1N429N429-V431 PolarHBondContact O-N 3.24Å; N429-V431 PolarHBondContact OD1-N 2.84Å
432T93.9Very high95Very high54 Ų5455.3 Ų55.333%0.33128%0.279SS..THydrogen-bonded Turntrans-93.2-15.4-171.670.10000114K400 N429 Y434K400-T432 WeakPolarHBondContact CE-O 3.33Å; N429-T432 WeakPolarHBondContact CB-OG1 3.15Å; N429-T432 PolarHBondContact O-N 2.94Å; N429-T432 PolarHBondContact OD1-N 3.15Å; N429-T432 PolarHBondContact OD1-OG1 3.36Å; T432-Y434 VanDerWaalsContact C-N 3.31Å; T432-Y434 PolarHBondContact O-N 3.12Å; T432-Y434 WeakPolarHBondContact OG1-CD2 3.48Å
433G94.3Very high95Very high0 Ų055.4 Ų55.40%028%0.278CS..  trans72.317.1-178.300000115.1I401 N429I401-G433 PolarHBondContact N-O 3.27Å; N429-G433 WeakPolarHBondContact O-CA 3.27Å; N429-G433 PolarHBondContact O-N 2.97Å
434Y96.2Very high95Very high98 Ų9857.7 Ų57.738%0.38429%0.286SS..EExtended strand (participates in β ladder)trans-77.9125.6174.9-78.7-65.5000110.5I397 K400 I428 N429 T432I397-Y434 HydrophobicContact CG2-CD1 3.52Å; I397-Y434 HydrophobicContact CG2-CE1 4.18Å; I397-Y434 HydrophobicContact CG2-CG 4.23Å; K400-Y434 HydrophobicContact CB-CD1 3.71Å; K400-Y434 HydrophobicContact CB-CE1 3.55Å; K400-Y434 HydrophobicContact CD-CE1 4.12Å; K400-Y434 HydrophobicContact CD-CE2 4.44Å; K400-Y434 HydrophobicContact CG-CD1 4.02Å; K400-Y434 HydrophobicContact CG-CE1 3.9Å; K400-Y434 HydrophobicContact CG-CG 4.46Å; I428-Y434 WeakPolarHBondContact CA-O 3.28Å; N429-Y434 PolarHBondContact N-O 3Å; T432-Y434 VanDerWaalsContact C-N 3.31Å; T432-Y434 PolarHBondContact O-N 3.12Å; T432-Y434 WeakPolarHBondContact OG1-CD2 3.48Å
435I96.2Very high95Very high0 Ų060.9 Ų60.90%030%0.301CS..EExtended strand (participates in β ladder)trans-91.4131.5173.9-59.4176.7000108.8F386 I397 I398 N399 I401 F426 D427 I428 I453F386-I435 HydrophobicContact CE2-CD1 4.43Å; I397-I435 WeakPolarHBondContact CA-O 3.46Å; I398-I435 HydrophobicContact CD1-CG2 4.11Å; I398-I435 PolarHBondContact N-O 3.12Å; N399-I435 PolarHBondContact O-N 2.9Å; I401-I435 HydrophobicContact CD1-CD1 3.92Å; I401-I435 HydrophobicContact CG1-CD1 3.56Å; I401-I435 HydrophobicContact CG1-CG1 4.08Å; F426-I435 HydrophobicContact CB-CG2 3.99Å; F426-I435 HydrophobicContact CD1-CG2 4.37Å; F426-I435 HydrophobicContact CG-CG2 4.36Å; D427-I435 CarbonylContact O-C 3.55Å; D427-I435 WeakPolarHBondContact O-CA 3.36Å; I428-I435 HydrophobicContact CD1-CG1 4.01Å; I428-I435 HydrophobicContact CG1-CG1 4.19Å; I435-I453 HydrophobicContact CD1-CG2 4.24Å
436T95.7Very high94.8Very high30 Ų3060.8 Ų60.818%0.18430%0.303CS..EExtended strand (participates in β ladder)trans-126.4152.7179.359.40000111.5T396 I397 F426 D427T396-T436 VanDerWaalsContact O-CA 3.23Å; T396-T436 WeakPolarHBondContact O-CA 3.37Å; I397-T436 HydrophobicContact CB-CG2 4.5Å; I397-T436 HydrophobicContact CG1-CG2 3.84Å; F426-T436 CarbonylContact C-O 3.56Å; F426-T436 WeakPolarHBondContact CA-O 3.48Å; D427-T436 PolarHBondContact N-O 3.44Å; D427-T436 PolarHBondContact O-N 2.89Å; D427-T436 PolarHBondContact O-OG1 3.42Å
437V96.5Very high94.7Very high1 Ų165.4 Ų65.41%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-72.1127.4173.6-179.60000109.6I388 T392 G395 T396 I398 F426 K439 L441I388-V437 HydrophobicContact CD1-CG2 3.46Å; I388-V437 VanDerWaalsContact CD1-CG2 3.46Å; T392-V437 HydrophobicContact CG2-CG2 4.07Å; G395-V437 PolarHBondContact N-O 2.87Å; T396-V437 PolarHBondContact O-N 2.92Å; I398-V437 HydrophobicContact CD1-CG2 3.95Å; I398-V437 HydrophobicContact CG1-CG2 4.06Å; F426-V437 HydrophobicContact CE1-CG2 4.41Å; V437-K439 WeakPolarHBondContact CG1-O 3.45Å; V437-L441 HydrophobicContact CG1-CD1 4.22Å; V437-L441 HydrophobicContact CG1-CG 4.31Å; V437-L441 HydrophobicContact CG2-CD1 4.32Å
438Q94.8Very high94.6Very high98 Ų9864.6 Ų64.646%0.45832%0.321SS..  trans-108.5-28.2180-170.9176.12700113Y425 F426 D427Y425-Q438 PolarHBondContact O-N 3.11Å; F426-Q438 PolarHBondContact O-OE1 3.44Å; D427-Q438 HydrophobicContact CB-CB 4.31Å
439K93.6Very high94.5Very high88 Ų8864.3 Ų64.338%0.38332%0.32SS..SBendtrans-124.7156.5177.7-66.9-176.7178.3-175.40110.5N424 Y425 V437N424-K439 PolarHBondContact ND2-NZ 2.88Å; N424-K439 VanDerWaalsContact O-CD 3.23Å; N424-K439 WeakPolarHBondContact O-CD 3.49Å; N424-K439 WeakPolarHBondContact O-CE 3.29Å; N424-K439 WeakPolarHBondContact O-CG 3.42Å; Y425-K439 HydrophobicContact CD1-CB 3.92Å; Y425-K439 HydrophobicContact CD1-CD 4.41Å; Y425-K439 PolarHBondContact O-N 2.97Å; V437-K439 WeakPolarHBondContact CG1-O 3.45Å
440L93.2Very high94.5Very high134 Ų13466.6 Ų66.670%0.70232%0.323SS*.  trans-57.7140.7169.7-61.7175.3000109.9I394I394-L440 HydrophobicContact CD1-CD2 3.94Å; I394-L440 HydrophobicContact CD1-CG 4.12Å; I394-L440 HydrophobicContact CG1-CD2 4.1Å
441L94.4Very high94.6Very high13 Ų1359.8 Ų59.87%0.06829%0.293CS..  trans-105.7141.9177.6-56.9170.6000107.3I388 E390 Y425 F426 V437 L449 I473I388-L441 HydrophobicContact CD1-CD1 3.84Å; I388-L441 HydrophobicContact CG1-CD1 4.24Å; I388-L441 HydrophobicContact CG2-CD1 3.88Å; E390-L441 VanDerWaalsContact O-O 3.06Å; Y425-L441 HydrophobicContact CD1-CD2 3.86Å; Y425-L441 HydrophobicContact CG-CD2 4.46Å; F426-L441 HydrophobicContact CZ-CD2 4.27Å; V437-L441 HydrophobicContact CG1-CD1 4.22Å; V437-L441 HydrophobicContact CG1-CG 4.31Å; V437-L441 HydrophobicContact CG2-CD1 4.32Å; L441-L449 HydrophobicContact CD2-CD1 3.77Å; L441-I473 HydrophobicContact CD1-CD1 4.15Å; L441-I473 HydrophobicContact CD2-CD1 4.23Å
442D93.9Very high94.7Very high60 Ų6058.7 Ų58.732%0.32128%0.276SS..  trans-147.6112.9-177.2167.3-12.7000105.1E444 M445 I446D442-E444 WeakPolarHBondContact OD1-CB 3.18Å; D442-E444 PolarHBondContact OD1-N 2.86Å; D442-M445 HydrophobicContact CB-CB 4.14Å; D442-M445 PolarHBondContact O-N 2.83Å; D442-M445 PolarHBondContact OD1-N 3.49Å; D442-I446 PolarHBondContact O-N 3.06Å
443R94.8Very high94.8Very high27 Ų2756.1 Ų56.110%0.10226%0.261CS..THydrogen-bonded Turntrans-73.4-34.4-173.9-173.6-145.663.6100.2-6.8110.8E390 M445 I446 N447 I473 D475 A509E390-R443 HydrophobicContact CB-CB 4.29Å; E390-R443 WeakPolarHBondContact OE2-CB 3.32Å; E390-R443 PolarHBondContact OE2-N 3.47Å; R443-M445 PolarHBondContact O-N 3.19Å; R443-I446 CarbonylContact O-C 3.59Å; R443-I446 PolarHBondContact O-N 3.06Å; R443-N447 HydrophobicContact CG-CB 4.07Å; R443-N447 PolarHBondContact O-N 2.92Å; R443-I473 HydrophobicContact CB-CB 4.34Å; R443-I473 HydrophobicContact CB-CG2 3.8Å; R443-I473 HydrophobicContact CG-CB 4.3Å; R443-I473 HydrophobicContact CG-CG2 4.23Å; R443-D475 WeakPolarHBondContact CD-OD1 3.36Å; R443-D475 IonicContact CZ-OD1 3.2Å; R443-D475 VanDerWaalsContact CZ-OD1 3.24Å; R443-D475 IonicContact NE-OD1 3.45Å; R443-D475 PolarHBondContact NE-OD1 3.37Å; R443-D475 IonicContact NH2-OD1 3.99Å; R443-D475 PolarHBondContact NH2-OD1 3.16Å; R443-A509 PolarHBondContact NH2-O 2.98Å
444E93.6Very high95Very high59 Ų5957.5 Ų57.528%0.27627%0.267SS..THydrogen-bonded Turntrans-63.1-31.6177.3-69.263.4-114.500110.8D442 N479 A509D442-E444 WeakPolarHBondContact OD1-CB 3.18Å; D442-E444 PolarHBondContact OD1-N 2.86Å; E444-N479 WeakPolarHBondContact CG-ND2 3.49Å; E444-N479 PolarHBondContact OE2-ND2 2.91Å; E444-A509 HydrophobicContact CG-CB 3.78Å
445M92.5Very high95Very high137 Ų13752.8 Ų52.868%0.67525%0.249SC*.THydrogen-bonded Turntrans-79.1-48.5171.5-167.9-175.8-55.100112.7D442 R443D442-M445 HydrophobicContact CB-CB 4.14Å; D442-M445 PolarHBondContact O-N 2.83Å; D442-M445 PolarHBondContact OD1-N 3.49Å; R443-M445 PolarHBondContact O-N 3.19Å
446I92.3Very high95Very high41 Ų4153.2 Ų53.221%0.2125%0.252CS..  trans-150.9113.4-178.4-170.5155000112.5D442 R443 E448 L449 I473D442-I446 PolarHBondContact O-N 3.06Å; R443-I446 CarbonylContact O-C 3.59Å; R443-I446 PolarHBondContact O-N 3.06Å; I446-E448 WeakPolarHBondContact CG1-O 3.21Å; I446-L449 HydrophobicContact CB-CD2 4.43Å; I446-L449 HydrophobicContact CD1-CD2 3.45Å; I446-L449 VanDerWaalsContact CD1-CD2 3.45Å; I446-L449 HydrophobicContact CG1-CD2 3.75Å; I446-L449 HydrophobicContact CG1-CG 4.48Å; I446-L449 HydrophobicContact CG2-CD2 3.82Å; I446-I473 WeakPolarHBondContact O-CG1 3.45Å
447N93.3Very high95Very high102 Ų10251.9 Ų51.955%0.54524%0.244SC..SBendtrans-87.1-14.8-176.763.9-6.9000114.6R443 I473R443-N447 HydrophobicContact CG-CB 4.07Å; R443-N447 PolarHBondContact O-N 2.92Å; N447-I473 PolarHBondContact O-N 3.19Å
448E94.9Very high94.9Very high67 Ų6754.6 Ų54.631%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-145.2126.9-179.2-169.8-17673.800111.6I446 R450 T470 I471 T472I446-E448 WeakPolarHBondContact CG1-O 3.21Å; E448-R450 HydrophobicContact CG-CG 4.48Å; E448-R450 IonicContact OE1-CZ 3.97Å; E448-R450 IonicContact OE1-NE 3.32Å; E448-R450 PolarHBondContact OE1-NE 2.88Å; E448-R450 IonicContact OE1-NH2 2.78Å; E448-R450 PolarHBondContact OE1-NH2 2.72Å; E448-R450 IonicContact OE2-CZ 3.24Å; E448-R450 IonicContact OE2-NE 2.98Å; E448-R450 IonicContact OE2-NH2 3.94Å; E448-R450 PolarHBondContact OE2-NH2 3.43Å; E448-T470 HydrophobicContact CG-CG2 3.75Å; E448-T470 WeakPolarHBondContact OE2-CG2 3.34Å; E448-I471 WeakPolarHBondContact CA-O 3.17Å; E448-T472 HydrophobicContact CG-CG2 4.49Å
449L95.4Very high94.8Very high0 Ų050.2 Ų50.20%024%0.24CC..EExtended strand (participates in β ladder)trans-112.4121.9179.3-62.1170.3000109.9N422 Y425 F426 L441 I446 I471 I473N422-L449 HydrophobicContact CB-CB 4.1Å; N422-L449 HydrophobicContact CB-CD2 3.74Å; Y425-L449 HydrophobicContact CD1-CD1 4.32Å; Y425-L449 HydrophobicContact CD2-CD1 4.31Å; Y425-L449 HydrophobicContact CD2-CD2 3.88Å; Y425-L449 HydrophobicContact CE2-CD2 3.9Å; Y425-L449 HydrophobicContact CG-CD1 3.99Å; Y425-L449 HydrophobicContact CG-CD2 4.34Å; F426-L449 HydrophobicContact CE2-CB 4.1Å; F426-L449 HydrophobicContact CE2-CD1 3.61Å; F426-L449 HydrophobicContact CE2-CG 4.49Å; F426-L449 HydrophobicContact CZ-CD1 3.59Å; L441-L449 HydrophobicContact CD2-CD1 3.77Å; I446-L449 HydrophobicContact CB-CD2 4.43Å; I446-L449 HydrophobicContact CD1-CD2 3.45Å; I446-L449 VanDerWaalsContact CD1-CD2 3.45Å; I446-L449 HydrophobicContact CG1-CD2 3.75Å; I446-L449 HydrophobicContact CG1-CG 4.48Å; I446-L449 HydrophobicContact CG2-CD2 3.82Å; L449-I471 HydrophobicContact CB-CB 4.48Å; L449-I471 PolarHBondContact N-O 3.06Å; L449-I471 PolarHBondContact O-N 3.41Å; L449-I473 HydrophobicContact CD1-CD1 3.98Å; L449-I473 HydrophobicContact CD1-CG1 4.47Å
450R96.5Very high94.7Very high124 Ų12454.7 Ų54.747%0.46826%0.264SS..EExtended strand (participates in β ladder)trans-114.8128.4176.3-62.3-178.2-178.4-92.2-5.1110.6E448 V469 T470E448-R450 HydrophobicContact CG-CG 4.48Å; E448-R450 IonicContact OE1-CZ 3.97Å; E448-R450 IonicContact OE1-NE 3.32Å; E448-R450 PolarHBondContact OE1-NE 2.88Å; E448-R450 IonicContact OE1-NH2 2.78Å; E448-R450 PolarHBondContact OE1-NH2 2.72Å; E448-R450 IonicContact OE2-CZ 3.24Å; E448-R450 IonicContact OE2-NE 2.98Å; E448-R450 IonicContact OE2-NH2 3.94Å; E448-R450 PolarHBondContact OE2-NH2 3.43Å; R450-V469 WeakPolarHBondContact CA-O 3.06Å; R450-T470 HydrophobicContact CG-CG2 4.28Å; R450-T470 PolarHBondContact NH1-OG1 3.14Å
451F96.2Very high94.6Very high7 Ų753.2 Ų53.23%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-151.5171.917660.9-88.4000110.1L418 S419 A423 F426 I453 V469 I471L418-F451 HydrophobicContact CD1-CE2 4.2Å; L418-F451 HydrophobicContact CD2-CD2 4.21Å; L418-F451 HydrophobicContact CD2-CE2 3.91Å; S419-F451 WeakPolarHBondContact O-CB 3.18Å; A423-F451 HydrophobicContact CB-CB 4.1Å; F426-F451 AromaticContact CD2-CD1 3.95Å; F426-F451 HydrophobicContact CD2-CD1 3.95Å; F426-F451 AromaticContact CD2-CE1 3.35Å; F426-F451 HydrophobicContact CD2-CE1 3.35Å; F426-F451 AromaticContact CD2-CZ 3.79Å; F426-F451 HydrophobicContact CD2-CZ 3.79Å; F426-F451 HydrophobicContact CE2-CD1 4.12Å; F426-F451 AromaticContact CE2-CE1 3.51Å; F426-F451 HydrophobicContact CE2-CE1 3.51Å; F426-F451 HydrophobicContact CE2-CZ 4.3Å; F426-F451 HydrophobicContact CG-CE1 4.24Å; F426-F451 HydrophobicContact CG-CZ 4.27Å; F451-I453 HydrophobicContact CD2-CG2 4.44Å; F451-I453 HydrophobicContact CE2-CG2 4.02Å; F451-V469 HydrophobicContact CD2-CB 4.12Å; F451-V469 HydrophobicContact CD2-CG2 4.42Å; F451-V469 HydrophobicContact CE1-CB 4.19Å; F451-V469 HydrophobicContact CE1-CG1 3.96Å; F451-V469 HydrophobicContact CE2-CB 3.76Å; F451-V469 HydrophobicContact CE2-CG1 4Å; F451-V469 HydrophobicContact CE2-CG2 3.95Å; F451-V469 HydrophobicContact CZ-CB 3.8Å; F451-V469 HydrophobicContact CZ-CG1 3.56Å; F451-V469 HydrophobicContact CZ-CG2 4.37Å; F451-V469 PolarHBondContact N-O 2.88Å; F451-V469 VanDerWaalsContact N-O 3.11Å; F451-V469 PolarHBondContact O-N 2.93Å; F451-I471 HydrophobicContact CE1-CD1 3.71Å; F451-I471 HydrophobicContact CE1-CG1 3.93Å; F451-I471 HydrophobicContact CZ-CD1 3.87Å; F451-I471 HydrophobicContact CZ-CG1 4.37Å
452R96.6Very high94.6Very high92 Ų9255.2 Ų55.235%0.34728%0.277SS..EExtended strand (participates in β ladder)trans-112.8139.1178.6-66.5-178.976.990-2.9110.6L418 S419 S466 A467 D468L418-R452 WeakPolarHBondContact CA-O 3.36Å; S419-R452 PolarHBondContact N-O 2.85Å; S419-R452 PolarHBondContact O-N 2.86Å; R452-S466 PolarHBondContact NH2-OG 2.97Å; R452-A467 WeakPolarHBondContact CA-O 3.3Å; R452-D468 VanDerWaalsContact CG-OD1 3.26Å; R452-D468 WeakPolarHBondContact CG-OD1 3.38Å; R452-D468 IonicContact CZ-OD1 3.46Å; R452-D468 IonicContact CZ-OD2 3.26Å; R452-D468 IonicContact NE-OD1 3.75Å; R452-D468 IonicContact NH1-OD1 2.72Å; R452-D468 PolarHBondContact NH1-OD1 2.83Å; R452-D468 IonicContact NH1-OD2 2.79Å; R452-D468 PolarHBondContact NH1-OD2 2.99Å
453I96.5Very high94.7Very high0 Ų054.9 Ų54.90%028%0.275CS..EExtended strand (participates in β ladder)trans-99.6145.1168.556.5179.6000108.5F379 Y384 I401 L418 I435 F451 S466 A467 V469F379-I453 HydrophobicContact CD1-CD1 4.1Å; F379-I453 HydrophobicContact CE1-CD1 3.83Å; F379-I453 HydrophobicContact CE1-CG1 4.12Å; F379-I453 HydrophobicContact CZ-CD1 4.4Å; F379-I453 HydrophobicContact CZ-CG1 4.18Å; Y384-I453 HydrophobicContact CD2-CD1 3.65Å; Y384-I453 HydrophobicContact CE2-CD1 3.63Å; I401-I453 HydrophobicContact CB-CD1 4.31Å; I401-I453 HydrophobicContact CD1-CD1 3.78Å; I401-I453 HydrophobicContact CG1-CD1 3.83Å; I401-I453 HydrophobicContact CG2-CD1 3.54Å; L418-I453 HydrophobicContact CD2-CB 4.34Å; L418-I453 HydrophobicContact CD2-CG2 3.42Å; L418-I453 VanDerWaalsContact CD2-CG2 3.42Å; I435-I453 HydrophobicContact CD1-CG2 4.24Å; F451-I453 HydrophobicContact CD2-CG2 4.44Å; F451-I453 HydrophobicContact CE2-CG2 4.02Å; I453-S466 CarbonylContact O-C 3.44Å; I453-S466 WeakPolarHBondContact O-CA 3.47Å; I453-S466 VanDerWaalsContact O-CB 3.28Å; I453-S466 WeakPolarHBondContact O-CB 3.27Å; I453-A467 HydrophobicContact CD1-CB 3.98Å; I453-A467 HydrophobicContact CG1-CB 3.8Å; I453-A467 WeakPolarHBondContact CG1-O 3.44Å; I453-A467 PolarHBondContact N-O 2.97Å; I453-A467 PolarHBondContact O-N 2.85Å; I453-V469 HydrophobicContact CB-CG2 4.29Å; I453-V469 HydrophobicContact CD1-CG2 3.87Å; I453-V469 HydrophobicContact CG1-CG2 3.91Å; I453-V469 HydrophobicContact CG2-CG2 3.53Å
454H96.8Very high94.7Very high29 Ų2958.2 Ų58.213%0.13430%0.295CS..EExtended strand (participates in β ladder)trans-128147.1177.3-61.3-100.5000110.1F416 W417 S419 S465 S466F416-H454 VanDerWaalsContact CA-O 3.3Å; F416-H454 WeakPolarHBondContact CA-O 3.3Å; W417-H454 AromaticContact CD1-CD2 3.89Å; W417-H454 HydrophobicContact CD2-CB 3.56Å; W417-H454 AromaticContact CE2-CD2 3.97Å; W417-H454 AromaticContact CE2-CG 3.54Å; W417-H454 HydrophobicContact CE3-CB 3.89Å; W417-H454 HydrophobicContact CG-CB 4.19Å; W417-H454 HydrophobicContact CH2-CB 3.58Å; W417-H454 HydrophobicContact CZ2-CB 3.24Å; W417-H454 AromaticContact CZ2-CG 3.62Å; W417-H454 AromaticContact CZ2-ND1 3.88Å; W417-H454 HydrophobicContact CZ3-CB 3.89Å; W417-H454 PolarHBondContact N-O 3.48Å; W417-H454 AromaticContact NE1-CD2 3.44Å; W417-H454 PolarHBondContact NE1-CD2 2.69Å; W417-H454 AromaticContact NE1-CG 3.49Å; W417-H454 PolarHBondContact O-N 3.39Å; S419-H454 PolarHBondContact OG-CD2 2.79Å; S419-H454 PolarHBondContact OG-NE2 3.04Å; H454-S465 WeakPolarHBondContact CA-O 3.25Å; H454-S466 WeakPolarHBondContact ND1-CB 3.42Å
455A97.2Very high94.9Very high0 Ų056.3 Ų56.30%029%0.288CS..EExtended strand (participates in β ladder)trans-129.1129.8170.600000107.4P377 F379 A403 T415 F416 N464 S465P377-A455 HydrophobicContact CB-CB 4Å; F379-A455 HydrophobicContact CE1-CB 4.07Å; F379-A455 HydrophobicContact CE2-CB 3.92Å; F379-A455 HydrophobicContact CZ-CB 3.43Å; F379-A455 VanDerWaalsContact CZ-CB 3.43Å; A403-A455 HydrophobicContact CB-CB 4.07Å; T415-A455 WeakPolarHBondContact O-CA 3.49Å; F416-A455 HydrophobicContact CD1-CB 3.83Å; F416-A455 HydrophobicContact CE1-CB 3.67Å; A455-N464 CarbonylContact O-C 3.5Å; A455-N464 WeakPolarHBondContact O-CA 3.41Å; A455-N464 VanDerWaalsContact O-CB 3.31Å; A455-N464 WeakPolarHBondContact O-CB 3.08Å; A455-S465 PolarHBondContact N-O 3.23Å; A455-S465 PolarHBondContact O-N 3.46Å
456A96.4Very high95.1Very high9 Ų952 Ų527%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-123.7139.5170.700000109.3L414 T415 W417 L463 N464L414-A456 CarbonylContact C-O 3.59Å; L414-A456 VanDerWaalsContact CA-O 3.29Å; L414-A456 WeakPolarHBondContact CA-O 3.43Å; T415-A456 PolarHBondContact N-O 3.07Å; T415-A456 PolarHBondContact O-N 3.16Å; W417-A456 HydrophobicContact CH2-CB 3.67Å; W417-A456 HydrophobicContact CZ3-CB 3.46Å; W417-A456 VanDerWaalsContact CZ3-CB 3.46Å; A456-L463 VanDerWaalsContact CA-O 3.26Å; A456-L463 WeakPolarHBondContact CA-O 3.26Å; A456-N464 HydrophobicContact CB-CB 3.81Å
457D96.4Very high95.3Very high2 Ų250 Ų501%0.01126%0.262CS..  trans-65.8179.6163.359.946.3000111.8N373 P377 N411 K413 L414 G459 S462 L463N373-D457 VanDerWaalsContact ND2-CG 3.28Å; N373-D457 PolarHBondContact ND2-OD1 3.47Å; N373-D457 PolarHBondContact ND2-OD2 3.32Å; N373-D457 PolarHBondContact OD1-OD2 3.24Å; P377-D457 HydrophobicContact CG-CB 4.43Å; N411-D457 WeakPolarHBondContact O-CB 3.4Å; K413-D457 CarbonylContact O-C 3.56Å; K413-D457 WeakPolarHBondContact O-CA 3.41Å; L414-D457 HydrophobicContact CD2-CB 4.4Å; D457-G459 PolarHBondContact OD1-N 2.88Å; D457-S462 PolarHBondContact O-OG 3.44Å; D457-S462 WeakPolarHBondContact OD1-CA 3.31Å; D457-S462 VanDerWaalsContact OD1-CB 3.27Å; D457-S462 WeakPolarHBondContact OD1-CB 3.27Å; D457-S462 PolarHBondContact OD1-OG 3.41Å; D457-L463 PolarHBondContact N-O 3.4Å; D457-L463 VanDerWaalsContact N-O 3.14Å; D457-L463 PolarHBondContact OD1-N 2.79Å; D457-L463 VanDerWaalsContact OD2-CA 3.31Å; D457-L463 WeakPolarHBondContact OD2-CA 3.45Å; D457-L463 WeakPolarHBondContact OD2-CB 3.27Å; D457-L463 PolarHBondContact OD2-N 3.16Å; D457-L463 VanDerWaalsContact OD2-O 3.1Å
458N93.7Very high95.4Very high58 Ų5848 Ų4831%0.3125%0.251SS..SBendtrans-105.324.7169.4-63-29.2000112.1E410 K413 T415E410-N458 HydrophobicContact CB-CB 4.14Å; E410-N458 CarbonylContact O-C 3.52Å; E410-N458 WeakPolarHBondContact O-CA 3.31Å; E410-N458 WeakPolarHBondContact O-CB 2.98Å; E410-N458 PolarHBondContact O-N 3.36Å; E410-N458 WeakPolarHBondContact OE2-CB 3.43Å; E410-N458 PolarHBondContact OE2-ND2 2.77Å; K413-N458 PolarHBondContact O-N 2.83Å; K413-N458 PolarHBondContact O-ND2 3.48Å; T415-N458 PolarHBondContact OG1-OD1 3.35Å
459G92.2Very high95.4Very high6 Ų644.9 Ų44.96%0.06224%0.236CC..  trans-67.9171.1178.400000113.3N411 D457 P461 S462N411-G459 WeakPolarHBondContact OD1-CA 3.2Å; D457-G459 PolarHBondContact OD1-N 2.88Å; G459-P461 VanDerWaalsContact C-C 3.46Å; G459-P461 CarbonylContact C-O 3.57Å; G459-P461 CarbonylContact O-C 3.54Å; G459-S462 VanDerWaalsContact O-CA 3.32Å; G459-S462 WeakPolarHBondContact O-CA 3.26Å; G459-S462 WeakPolarHBondContact O-CB 3.36Å; G459-S462 PolarHBondContact O-N 3Å
460M90.9Very high95.5Very high182 Ų18245 Ų4590%0.89724%0.237SC*.SBendtrans-130.4100.4175.8-69.5-165.8-62.800110.9
461P92.6Very high95.4Very high102 Ų10239.1 Ų39.166%0.66222%0.215SC*.SBendcis-71.4150-0.532.6-35.3000111.8N373 G459N373-P461 PolarHBondContact ND2-O 3.39Å; G459-P461 VanDerWaalsContact C-C 3.46Å; G459-P461 CarbonylContact C-O 3.57Å; G459-P461 CarbonylContact O-C 3.54Å
462S94.2Very high95.4Very high55 Ų5541 Ų4139%0.38523%0.227SC..PPolyproline II helixtrans-74.2133.9176.1168.60000110.8D457 G459D457-S462 PolarHBondContact O-OG 3.44Å; D457-S462 WeakPolarHBondContact OD1-CA 3.31Å; D457-S462 VanDerWaalsContact OD1-CB 3.27Å; D457-S462 WeakPolarHBondContact OD1-CB 3.27Å; D457-S462 PolarHBondContact OD1-OG 3.41Å; G459-S462 VanDerWaalsContact O-CA 3.32Å; G459-S462 WeakPolarHBondContact O-CA 3.26Å; G459-S462 WeakPolarHBondContact O-CB 3.36Å; G459-S462 PolarHBondContact O-N 3Å
463L95.8Very high95.3Very high54 Ų5437.2 Ų37.228%0.28321%0.213SC..PPolyproline II helixtrans-98.2146.4173.7-57.9170.4000109N373 E375 L376 A456 D457N373-L463 WeakPolarHBondContact ND2-CG 3.41Å; N373-L463 PolarHBondContact ND2-N 3.46Å; E375-L463 WeakPolarHBondContact O-CD1 3.35Å; L376-L463 HydrophobicContact CB-CB 4.24Å; A456-L463 VanDerWaalsContact CA-O 3.26Å; A456-L463 WeakPolarHBondContact CA-O 3.26Å; D457-L463 PolarHBondContact N-O 3.4Å; D457-L463 VanDerWaalsContact N-O 3.14Å; D457-L463 PolarHBondContact OD1-N 2.79Å; D457-L463 VanDerWaalsContact OD2-CA 3.31Å; D457-L463 WeakPolarHBondContact OD2-CA 3.45Å; D457-L463 WeakPolarHBondContact OD2-CB 3.27Å; D457-L463 PolarHBondContact OD2-N 3.16Å; D457-L463 VanDerWaalsContact OD2-O 3.1Å
464N95.5Very high95.2Very high96 Ų9641.3 Ų41.351%0.51323%0.233SC..EExtended strand (participates in β ladder)trans-140.4154.4179.66745.3000112.1W417 A455 A456W417-N464 HydrophobicContact CH2-CB 4.01Å; A455-N464 CarbonylContact O-C 3.5Å; A455-N464 WeakPolarHBondContact O-CA 3.41Å; A455-N464 VanDerWaalsContact O-CB 3.31Å; A455-N464 WeakPolarHBondContact O-CB 3.08Å; A456-N464 HydrophobicContact CB-CB 3.81Å
465S96.5Very high95.1Very high19 Ų1941.6 Ų41.613%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-133.1167.7172.575.30000109.9P377 F379 H454 A455P377-S465 WeakPolarHBondContact O-CB 3.47Å; P377-S465 PolarHBondContact O-OG 2.76Å; F379-S465 WeakPolarHBondContact CD2-OG 3.36Å; F379-S465 WeakPolarHBondContact CE2-OG 3.49Å; H454-S465 WeakPolarHBondContact CA-O 3.25Å; A455-S465 PolarHBondContact N-O 3.23Å; A455-S465 PolarHBondContact O-N 3.46Å
466S96.4Very high94.9Very high46 Ų4643.1 Ų43.132%0.32225%0.245SC..EExtended strand (participates in β ladder)trans-142150.417858.40000112.1R452 I453 H454R452-S466 PolarHBondContact NH2-OG 2.97Å; I453-S466 CarbonylContact O-C 3.44Å; I453-S466 WeakPolarHBondContact O-CA 3.47Å; I453-S466 VanDerWaalsContact O-CB 3.28Å; I453-S466 WeakPolarHBondContact O-CB 3.27Å; H454-S466 WeakPolarHBondContact ND1-CB 3.42Å
467A96.4Very high94.8Very high1 Ų143.3 Ų43.31%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-129154.8173.600000110.4F379 Y384 R452 I453F379-A467 HydrophobicContact CB-CB 4.22Å; F379-A467 HydrophobicContact CD1-CB 4.41Å; F379-A467 HydrophobicContact CD2-CB 3.91Å; F379-A467 HydrophobicContact CE2-CB 4.37Å; F379-A467 HydrophobicContact CG-CB 3.91Å; Y384-A467 HydrophobicContact CD2-CB 4.23Å; Y384-A467 HydrophobicContact CE2-CB 3.97Å; R452-A467 WeakPolarHBondContact CA-O 3.3Å; I453-A467 HydrophobicContact CD1-CB 3.98Å; I453-A467 HydrophobicContact CG1-CB 3.8Å; I453-A467 WeakPolarHBondContact CG1-O 3.44Å; I453-A467 PolarHBondContact N-O 2.97Å; I453-A467 PolarHBondContact O-N 2.85Å
468D96.4Very high94.6Very high60 Ų6047.2 Ų47.232%0.32127%0.265SS..EExtended strand (participates in β ladder)trans-88.3141.2178.6-73.5-58.3000110.7S382 H383 Y384 R452S382-D468 PolarHBondContact O-N 3.06Å; H383-D468 CarbonylContact C-O 3.25Å; H383-D468 VanDerWaalsContact CA-O 3.27Å; H383-D468 WeakPolarHBondContact CA-O 3.3Å; Y384-D468 PolarHBondContact N-O 2.97Å; R452-D468 VanDerWaalsContact CG-OD1 3.26Å; R452-D468 WeakPolarHBondContact CG-OD1 3.38Å; R452-D468 IonicContact CZ-OD1 3.46Å; R452-D468 IonicContact CZ-OD2 3.26Å; R452-D468 IonicContact NE-OD1 3.75Å; R452-D468 IonicContact NH1-OD1 2.72Å; R452-D468 PolarHBondContact NH1-OD1 2.83Å; R452-D468 IonicContact NH1-OD2 2.79Å; R452-D468 PolarHBondContact NH1-OD2 2.99Å
469V95.7Very high94.6Very high1 Ų146.9 Ų46.91%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-123.6129.8175.1-173.40000109.2Y384 F386 R450 F451 I453 I471Y384-V469 WeakPolarHBondContact O-CA 3.32Å; F386-V469 HydrophobicContact CD2-CG1 3.85Å; F386-V469 HydrophobicContact CE2-CG1 3.84Å; R450-V469 WeakPolarHBondContact CA-O 3.06Å; F451-V469 HydrophobicContact CD2-CB 4.12Å; F451-V469 HydrophobicContact CD2-CG2 4.42Å; F451-V469 HydrophobicContact CE1-CB 4.19Å; F451-V469 HydrophobicContact CE1-CG1 3.96Å; F451-V469 HydrophobicContact CE2-CB 3.76Å; F451-V469 HydrophobicContact CE2-CG1 4Å; F451-V469 HydrophobicContact CE2-CG2 3.95Å; F451-V469 HydrophobicContact CZ-CB 3.8Å; F451-V469 HydrophobicContact CZ-CG1 3.56Å; F451-V469 HydrophobicContact CZ-CG2 4.37Å; F451-V469 PolarHBondContact N-O 2.88Å; F451-V469 VanDerWaalsContact N-O 3.11Å; F451-V469 PolarHBondContact O-N 2.93Å; I453-V469 HydrophobicContact CB-CG2 4.29Å; I453-V469 HydrophobicContact CD1-CG2 3.87Å; I453-V469 HydrophobicContact CG1-CG2 3.91Å; I453-V469 HydrophobicContact CG2-CG2 3.53Å; V469-I471 HydrophobicContact CG1-CD1 4.34Å; V469-I471 HydrophobicContact CG1-CG1 3.92Å
470T96Very high94.6Very high2 Ų249.8 Ų49.81%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-120.2119171.5-60.90000109.1H383 Y384 Y385 F386 E448 R450H383-T470 PolarHBondContact CE1-OG1 3.01Å; H383-T470 PolarHBondContact NE2-OG1 3.14Å; Y384-T470 PolarHBondContact O-N 2.54Å; Y385-T470 WeakPolarHBondContact CA-O 3.33Å; Y385-T470 HydrophobicContact CD1-CG2 4.3Å; Y385-T470 HydrophobicContact CE1-CG2 4.39Å; F386-T470 PolarHBondContact N-O 3.31Å; E448-T470 HydrophobicContact CG-CG2 3.75Å; E448-T470 WeakPolarHBondContact OE2-CG2 3.34Å; R450-T470 HydrophobicContact CG-CG2 4.28Å; R450-T470 PolarHBondContact NH1-OG1 3.14Å
471I95.7Very high94.7Very high0 Ų041.1 Ų41.10%024%0.239CC..EExtended strand (participates in β ladder)trans-109.4119.8175.3-56.1-166.1000107.9F386 I388 I398 F426 E448 L449 F451 V469 I473F386-I471 HydrophobicContact CB-CG1 4.19Å; F386-I471 HydrophobicContact CD2-CD1 4.16Å; F386-I471 HydrophobicContact CD2-CG1 4.13Å; F386-I471 CarbonylContact O-C 3.4Å; F386-I471 VanDerWaalsContact O-CA 3.31Å; F386-I471 WeakPolarHBondContact O-CA 3.49Å; I388-I471 HydrophobicContact CB-CG2 4.29Å; I388-I471 HydrophobicContact CG2-CG2 3.42Å; I388-I471 VanDerWaalsContact CG2-CG2 3.42Å; I398-I471 HydrophobicContact CD1-CD1 3.95Å; F426-I471 HydrophobicContact CD1-CD1 4.29Å; F426-I471 HydrophobicContact CD2-CD1 4.36Å; F426-I471 HydrophobicContact CE1-CD1 3.79Å; F426-I471 HydrophobicContact CE2-CD1 3.85Å; F426-I471 HydrophobicContact CZ-CB 4.33Å; F426-I471 HydrophobicContact CZ-CD1 3.55Å; F426-I471 HydrophobicContact CZ-CG1 4.4Å; F426-I471 HydrophobicContact CZ-CG2 4.23Å; E448-I471 WeakPolarHBondContact CA-O 3.17Å; L449-I471 HydrophobicContact CB-CB 4.48Å; L449-I471 PolarHBondContact N-O 3.06Å; L449-I471 PolarHBondContact O-N 3.41Å; F451-I471 HydrophobicContact CE1-CD1 3.71Å; F451-I471 HydrophobicContact CE1-CG1 3.93Å; F451-I471 HydrophobicContact CZ-CD1 3.87Å; F451-I471 HydrophobicContact CZ-CG1 4.37Å; V469-I471 HydrophobicContact CG1-CD1 4.34Å; V469-I471 HydrophobicContact CG1-CG1 3.92Å; I471-I473 HydrophobicContact CG2-CD1 4.14Å
472T95.4Very high94.5Very high47 Ų4738.8 Ų38.829%0.28822%0.224SC..EExtended strand (participates in β ladder)trans-92.5131.617168.50000109.1F386 N387 I388 E448F386-T472 PolarHBondContact O-N 2.86Å; N387-T472 WeakPolarHBondContact CA-O 3.31Å; N387-T472 PolarHBondContact OD1-OG1 3Å; I388-T472 PolarHBondContact N-O 2.91Å; E448-T472 HydrophobicContact CG-CG2 4.49Å
473I95.8Very high94.1Very high12 Ų1237.7 Ų37.76%0.06221%0.214CC..EExtended strand (participates in β ladder)trans-88.3122.7178-50.7-54000108.1I388 E390 L441 R443 I446 N447 L449 I471I388-I473 HydrophobicContact CG2-CD1 3.42Å; I388-I473 VanDerWaalsContact CG2-CD1 3.42Å; I388-I473 CarbonylContact O-C 3.58Å; I388-I473 WeakPolarHBondContact O-CA 3.42Å; E390-I473 HydrophobicContact CB-CG2 3.56Å; L441-I473 HydrophobicContact CD1-CD1 4.15Å; L441-I473 HydrophobicContact CD2-CD1 4.23Å; R443-I473 HydrophobicContact CB-CB 4.34Å; R443-I473 HydrophobicContact CB-CG2 3.8Å; R443-I473 HydrophobicContact CG-CB 4.3Å; R443-I473 HydrophobicContact CG-CG2 4.23Å; I446-I473 WeakPolarHBondContact O-CG1 3.45Å; N447-I473 PolarHBondContact O-N 3.19Å; L449-I473 HydrophobicContact CD1-CD1 3.98Å; L449-I473 HydrophobicContact CD1-CG1 4.47Å; I471-I473 HydrophobicContact CG2-CD1 4.14Å
474Q94.4Very high93.1Very high86 Ų8642 Ų4240%0.40224%0.237SC..EExtended strand (participates in β ladder)trans-87.9133.5178.4-58-165.4-50.800110N387 I388 N389 E390N387-Q474 HydrophobicContact CB-CG 4.08Å; I388-Q474 PolarHBondContact O-N 3.23Å; N389-Q474 PolarHBondContact OD1-OE1 3.23Å; N389-Q474 VanDerWaalsContact OD1-OE1 3.1Å; E390-Q474 PolarHBondContact N-O 3.16Å; E390-Q474 VanDerWaalsContact N-O 3.09Å
475D94.1Very high92.4Very high36 Ų3643.5 Ų43.519%0.19324%0.244CC..PPolyproline II helixtrans-64.3131.6-179.8-170.980.8000112.1E390 R443 I511 N514E390-D475 VanDerWaalsContact OE1-CA 3.31Å; E390-D475 WeakPolarHBondContact OE1-CA 3.35Å; R443-D475 WeakPolarHBondContact CD-OD1 3.36Å; R443-D475 IonicContact CZ-OD1 3.2Å; R443-D475 VanDerWaalsContact CZ-OD1 3.24Å; R443-D475 IonicContact NE-OD1 3.45Å; R443-D475 PolarHBondContact NE-OD1 3.37Å; R443-D475 IonicContact NH2-OD1 3.99Å; R443-D475 PolarHBondContact NH2-OD1 3.16Å; D475-I511 HydrophobicContact CB-CD1 4.13Å; D475-I511 HydrophobicContact CB-CG1 3.66Å; D475-I511 VanDerWaalsContact CG-CG1 3.42Å; D475-I511 WeakPolarHBondContact OD1-CG1 3.2Å; D475-I511 PolarHBondContact OD1-N 3.37Å; D475-I511 PolarHBondContact OD2-N 3.45Å; D475-N514 WeakPolarHBondContact OD2-CB 3.36Å; D475-N514 PolarHBondContact OD2-ND2 3.47Å
476V93.6Very high91.7Very high32 Ų3249.2 Ų49.219%0.19427%0.267CS..  trans-121.9137172.9175.80000106.8N389 E390 N391 D478N389-V476 HydrophobicContact CB-CG2 3.98Å; E390-V476 HydrophobicContact CG-CB 3.84Å; E390-V476 HydrophobicContact CG-CG2 3.92Å; E390-V476 PolarHBondContact OE1-N 3.18Å; N391-V476 HydrophobicContact CB-CG1 4.31Å; N391-V476 HydrophobicContact CB-CG2 4.22Å; V476-D478 PolarHBondContact O-N 3.03Å
477N93.8Very high91.3Very high13 Ų1348.2 Ų48.27%0.0726%0.258CS..SBendtrans-71.491.8-178.7-159.355.1000110.9D510 N514 D594 P598N477-D510 WeakPolarHBondContact CA-OD2 3.49Å; N477-D510 PolarHBondContact OD1-OD2 2.89Å; N477-D510 VanDerWaalsContact OD1-OD2 3.13Å; N477-N514 HydrophobicContact CB-CB 4.14Å; N477-N514 PolarHBondContact N-ND2 2.8Å; N477-N514 VanDerWaalsContact OD1-CA 3.25Å; N477-N514 WeakPolarHBondContact OD1-CA 3.27Å; N477-N514 WeakPolarHBondContact OD1-CB 3.45Å; N477-N514 PolarHBondContact OD1-O 3.33Å; N477-D594 VanDerWaalsContact ND2-CG 3.35Å; N477-D594 PolarHBondContact ND2-OD1 3.23Å; N477-D594 PolarHBondContact ND2-OD2 3.2Å; N477-D594 PolarHBondContact OD1-OD2 2.81Å; N477-P598 PolarHBondContact ND2-O 2.86Å
478D92.7Very high91.1Very high84 Ų8451.4 Ų51.445%0.44927%0.273SS..  trans-128.8-8-178.977.1-10000114.4V476 D510V476-D478 PolarHBondContact O-N 3.03Å; D478-D510 PolarHBondContact N-OD2 3.14Å
479N92Very high91Very high50 Ų5050.3 Ų50.327%0.26727%0.265SS..SBendtrans-101.3116.1171.7-66.5-80.6000111.2E444 A509 D510E444-N479 WeakPolarHBondContact CG-ND2 3.49Å; E444-N479 PolarHBondContact OE2-ND2 2.91Å; N479-A509 HydrophobicContact CB-CB 4.01Å; N479-D510 VanDerWaalsContact CB-OD1 3.3Å; N479-D510 WeakPolarHBondContact CB-OD1 3.4Å; N479-D510 PolarHBondContact N-OD2 3.38Å; N479-D510 PolarHBondContact ND2-OD1 3.09Å
480P92.2Very high90.8Very high68 Ų6856.5 Ų56.544%0.44229%0.289SS..PPolyproline II helixtrans-71145.8172.527.8-32.7000111.2S482 L600P480-S482 PolarHBondContact O-N 2.78Å; P480-L600 HydrophobicContact CB-CB 3.95Å
481P93.6Very high90.7Very high0 Ų056.8 Ų56.80%029%0.291CS..PPolyproline II helixtrans-63.6131.5177.824.7-33.7000110.2D508 I517 V592 S602P481-D508 WeakPolarHBondContact CA-OD2 3.37Å; P481-D508 HydrophobicContact CB-CB 4.26Å; P481-D508 WeakPolarHBondContact CB-OD2 3.06Å; P481-D508 VanDerWaalsContact CD-OD2 3.29Å; P481-D508 WeakPolarHBondContact CD-OD2 3.49Å; P481-I517 HydrophobicContact CB-CG2 3.58Å; P481-I517 HydrophobicContact CG-CG2 4.34Å; P481-V592 HydrophobicContact CB-CB 4.35Å; P481-V592 HydrophobicContact CB-CG1 3.81Å; P481-V592 HydrophobicContact CG-CB 4.19Å; P481-V592 HydrophobicContact CG-CG1 3.97Å; P481-S602 WeakPolarHBondContact O-CB 3.23Å; P481-S602 PolarHBondContact O-OG 3.17Å
482S88.6Confident90.4Very high52 Ų5260.7 Ų60.736%0.36431%0.311SS..BIsolated β-bridgetrans-122.7149.6-173.870.80000112.6P480 A506 H507P480-S482 PolarHBondContact O-N 2.78Å; S482-A506 WeakPolarHBondContact O-CA 3.14Å; S482-A506 WeakPolarHBondContact O-CB 3.37Å; S482-H507 PolarHBondContact N-O 3.27Å; S482-H507 PolarHBondContact O-N 3.46Å; S482-H507 PolarHBondContact OG-O 2.86Å
483I85Confident90.2Very high32 Ų3258.9 Ų58.916%0.16430%0.299CS..  trans-117.7112.2174.7-65.8173.1000107.3N485 I487 A506 F519 V592 T604I483-N485 WeakPolarHBondContact CG2-O 3.49Å; I483-N485 PolarHBondContact O-N 2.85Å; I483-I487 HydrophobicContact CG2-CD1 3.82Å; I483-I487 HydrophobicContact CG2-CG1 4.18Å; I483-A506 HydrophobicContact CD1-CB 4.21Å; I483-A506 HydrophobicContact CG1-CB 3.56Å; I483-F519 HydrophobicContact CD1-CE1 4.28Å; I483-V592 HydrophobicContact CD1-CG2 3.58Å; I483-V592 HydrophobicContact CG1-CG2 4.27Å; I483-T604 HydrophobicContact CD1-CG2 3.38Å
484L75.7Confident89.8Confident145 Ų14563.1 Ų63.176%0.75932%0.322SS*.  trans-71.8-29.8-170.4-66168.1000113.7
485N80.2Confident89.5Confident127 Ų12761 Ų6168%0.67931%0.312SS*.SBendtrans-119143.3-171-63.6-26.2000111.5I483 I487I483-N485 WeakPolarHBondContact CG2-O 3.49Å; I483-N485 PolarHBondContact O-N 2.85Å; N485-I487 WeakPolarHBondContact O-CG1 3.37Å; N485-I487 PolarHBondContact O-N 3.08Å
486K81.3Confident89.1Confident140 Ų14064 Ų6461%0.60933%0.332SS*.  trans-58.8129.8165.5-171.1-173.5-177.3-158.30108.9E488 L607K486-E488 HydrophobicContact CD-CG 4.45Å; K486-E488 WeakPolarHBondContact CD-OE1 3.43Å; K486-E488 WeakPolarHBondContact CE-OE1 3.41Å; K486-E488 HydrophobicContact CG-CG 4.43Å; K486-E488 IonicContact NZ-OE1 3.71Å; K486-E488 PolarHBondContact NZ-OE1 3.32Å; K486-L607 VanDerWaalsContact NZ-CD1 3.33Å
487I89Confident88.6Confident25 Ų2564.8 Ų64.813%0.12834%0.342CS..EExtended strand (participates in β ladder)trans-104.4121-176.4-53.4-176.6000109I483 N485 F489 I504 V606 L607I483-I487 HydrophobicContact CG2-CD1 3.82Å; I483-I487 HydrophobicContact CG2-CG1 4.18Å; N485-I487 WeakPolarHBondContact O-CG1 3.37Å; N485-I487 PolarHBondContact O-N 3.08Å; I487-F489 HydrophobicContact CG2-CD2 4.12Å; I487-F489 HydrophobicContact CG2-CE1 4.49Å; I487-F489 HydrophobicContact CG2-CE2 3.42Å; I487-F489 VanDerWaalsContact CG2-CE2 3.42Å; I487-F489 HydrophobicContact CG2-CZ 3.64Å; I487-I504 HydrophobicContact CD1-CB 3.63Å; I487-I504 HydrophobicContact CD1-CG2 3.47Å; I487-I504 VanDerWaalsContact CD1-CG2 3.47Å; I487-I504 HydrophobicContact CG2-CG2 3.92Å; I487-V606 HydrophobicContact CB-CG1 4.25Å; I487-V606 HydrophobicContact CB-CG2 4.19Å; I487-V606 HydrophobicContact CG2-CG1 3.96Å; I487-V606 HydrophobicContact CG2-CG2 4.47Å; I487-V606 WeakPolarHBondContact O-CA 3.45Å; I487-L607 PolarHBondContact O-N 2.82Å
488E92.2Very high88Confident68 Ų6868.3 Ų68.332%0.31837%0.368SS..EExtended strand (participates in β ladder)trans-125.6132.6176.2-55.1-173.1172.800109.5K486 Y490 L607K486-E488 HydrophobicContact CD-CG 4.45Å; K486-E488 WeakPolarHBondContact CD-OE1 3.43Å; K486-E488 WeakPolarHBondContact CE-OE1 3.41Å; K486-E488 HydrophobicContact CG-CG 4.43Å; K486-E488 IonicContact NZ-OE1 3.71Å; K486-E488 PolarHBondContact NZ-OE1 3.32Å; E488-Y490 HydrophobicContact CB-CE2 4.05Å; E488-Y490 PolarHBondContact OE2-OH 3.44Å; E488-L607 CarbonylContact C-O 3.57Å; E488-L607 VanDerWaalsContact CA-O 3.27Å; E488-L607 WeakPolarHBondContact CA-O 3.48Å; E488-L607 HydrophobicContact CG-CB 4.22Å
489F93.8Very high87.7Confident36 Ų3668.8 Ų68.816%0.15837%0.37CS..EExtended strand (participates in β ladder)trans-116.2144.2171.6-65.1-68.1000109.8I487 V491 I501 G502 I504 I571 V606 L607 I608 H609I487-F489 HydrophobicContact CG2-CD2 4.12Å; I487-F489 HydrophobicContact CG2-CE1 4.49Å; I487-F489 HydrophobicContact CG2-CE2 3.42Å; I487-F489 VanDerWaalsContact CG2-CE2 3.42Å; I487-F489 HydrophobicContact CG2-CZ 3.64Å; F489-V491 HydrophobicContact CB-CG2 4.42Å; F489-I501 HydrophobicContact CB-CG2 3.86Å; F489-I501 HydrophobicContact CD1-CG2 4.47Å; F489-I501 HydrophobicContact CD2-CG2 4.38Å; F489-I501 HydrophobicContact CG-CG2 3.99Å; F489-G502 VanDerWaalsContact CE1-CA 3.5Å; F489-I504 HydrophobicContact CE2-CG2 3.98Å; F489-I504 HydrophobicContact CZ-CG2 4.18Å; F489-I571 HydrophobicContact CD2-CD1 4.26Å; F489-I571 HydrophobicContact CE2-CD1 3.8Å; F489-V606 HydrophobicContact CD2-CG1 3.7Å; F489-V606 HydrophobicContact CE2-CG1 3.75Å; F489-L607 PolarHBondContact N-O 2.9Å; F489-I608 HydrophobicContact CB-CG1 4.43Å; F489-I608 CarbonylContact O-C 3.57Å; F489-I608 WeakPolarHBondContact O-CA 3.09Å; F489-H609 PolarHBondContact O-N 2.97Å
490Y92.8Very high87.6Confident132 Ų13268.3 Ų68.352%0.51837%0.373SS..EExtended strand (participates in β ladder)trans-119.2116.1177.4-64.3-96000107.9E488 H609 L611E488-Y490 HydrophobicContact CB-CE2 4.05Å; E488-Y490 PolarHBondContact OE2-OH 3.44Å; Y490-H609 WeakPolarHBondContact CA-O 3.1Å; Y490-H609 HydrophobicContact CD1-CB 3.53Å; Y490-H609 HydrophobicContact CE1-CB 3.73Å; Y490-H609 AromaticContact CE1-CD2 3.91Å; Y490-H609 AromaticContact CE1-CG 3.7Å; Y490-H609 HydrophobicContact CG-CB 4.24Å; Y490-H609 AromaticContact CZ-CD2 3.95Å; Y490-L611 HydrophobicContact CD1-CD2 4.06Å
491V92.7Very high87.5Confident7 Ų766.3 Ų66.34%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-129.6126.8-168.5-176.40000109.4F489 H495 I501 L578 I608 H609 I610 L611F489-V491 HydrophobicContact CB-CG2 4.42Å; V491-H495 HydrophobicContact CG1-CB 3.51Å; V491-I501 HydrophobicContact CG1-CG1 4.49Å; V491-I501 HydrophobicContact CG2-CB 4.33Å; V491-I501 HydrophobicContact CG2-CG1 4.17Å; V491-I501 HydrophobicContact CG2-CG2 3.42Å; V491-I501 VanDerWaalsContact CG2-CG2 3.42Å; V491-L578 HydrophobicContact CG1-CD1 3.94Å; V491-I608 HydrophobicContact CB-CG2 4.38Å; V491-I608 HydrophobicContact CG2-CG2 3.85Å; V491-H609 PolarHBondContact N-O 2.79Å; V491-I610 CarbonylContact O-C 3.58Å; V491-I610 VanDerWaalsContact O-CA 3.31Å; V491-I610 WeakPolarHBondContact O-CA 3.18Å; V491-L611 PolarHBondContact O-N 3.27Å
492L90.8Very high87.4Confident83 Ų8366.9 Ų66.944%0.43536%0.364SS..EExtended strand (participates in β ladder)trans-62.6141.8173-66.5162.5000110.7N494 H495 L611 V613L492-N494 WeakPolarHBondContact CB-OD1 3.46Å; L492-N494 PolarHBondContact O-N 3.08Å; L492-H495 WeakPolarHBondContact O-CB 3.43Å; L492-H495 PolarHBondContact O-N 2.92Å; L492-L611 HydrophobicContact CD2-CB 3.81Å; L492-L611 HydrophobicContact CD2-CD1 4.37Å; L492-L611 HydrophobicContact CG-CB 4.4Å; L492-V613 HydrophobicContact CB-CG2 4.1Å; L492-V613 HydrophobicContact CD2-CG2 3.92Å
493E89.9Confident87.5Confident8 Ų869.2 Ų69.24%0.03737%0.368CS..THydrogen-bonded Turntrans-64.6-25.6-179.377.5-163.1134.400113.8H495 L578 R580 I610 L611 V613E493-H495 PolarHBondContact O-N 2.85Å; E493-L578 HydrophobicContact CB-CB 4.17Å; E493-L578 WeakPolarHBondContact O-CB 3.18Å; E493-R580 HydrophobicContact CB-CB 4.31Å; E493-R580 WeakPolarHBondContact OE2-CB 3.3Å; E493-R580 PolarHBondContact OE2-N 3.03Å; E493-I610 HydrophobicContact CB-CG2 3.64Å; E493-L611 PolarHBondContact N-O 2.04Å; E493-L611 VanDerWaalsContact N-O 3.1Å; E493-V613 HydrophobicContact CG-CB 4Å; E493-V613 HydrophobicContact CG-CG2 3.94Å; E493-V613 WeakPolarHBondContact OE1-CA 3.1Å; E493-V613 VanDerWaalsContact OE1-CB 3.25Å; E493-V613 WeakPolarHBondContact OE1-CB 3.2Å; E493-V613 PolarHBondContact OE1-N 2.85Å; E493-V613 VanDerWaalsContact OE1-O 3.09Å
494N88.1Confident87.8Confident102 Ų10267.7 Ų67.755%0.54536%0.36SS..THydrogen-bonded Turntrans-79.510.3173.971.22.8000113.6L492 T496 V613L492-N494 WeakPolarHBondContact CB-OD1 3.46Å; L492-N494 PolarHBondContact O-N 3.08Å; N494-T496 PolarHBondContact O-N 3.03Å; N494-V613 HydrophobicContact CB-CG2 4.24Å
495H87.6Confident88.6Confident40 Ų4065.6 Ų65.619%0.18535%0.353CS..PPolyproline II helixtrans-56.4134.1179.5-175.5-84.4000111.6V491 L492 E493 A497 L499 L573 L578V491-H495 HydrophobicContact CG1-CB 3.51Å; L492-H495 WeakPolarHBondContact O-CB 3.43Å; L492-H495 PolarHBondContact O-N 2.92Å; E493-H495 PolarHBondContact O-N 2.85Å; H495-A497 PolarHBondContact O-N 2.96Å; H495-L499 PolarHBondContact CE1-O 3.33Å; H495-L573 HydrophobicContact CB-CD2 4.34Å; H495-L573 VanDerWaalsContact O-CD2 3.31Å; H495-L573 WeakPolarHBondContact O-CD2 3.16Å; H495-L578 HydrophobicContact CB-CD1 4.34Å
496T85.8Confident89.1Confident100 Ų10060.4 Ų60.461%0.61333%0.328SS*.PPolyproline II helixtrans-66.7130.8-175.8-53.30000110.9N494 L499N494-T496 PolarHBondContact O-N 3.03Å; T496-L499 WeakPolarHBondContact O-CB 3.48Å; T496-L499 PolarHBondContact O-N 2.69Å
497A82.8Confident89.6Confident49 Ų4959.4 Ų59.441%0.40533%0.325SS..THydrogen-bonded Turntrans-54.1143.2173.400000111.7H495 L499 G574H495-A497 PolarHBondContact O-N 2.96Å; A497-L499 PolarHBondContact O-N 3.44Å; A497-G574 WeakPolarHBondContact CB-O 3.49Å
498S81.6Confident89.8Confident87 Ų8758.8 Ų58.861%0.60832%0.322SS*.THydrogen-bonded Turntrans65.81.5-177-46.80000116.4Y572 L573S498-Y572 WeakPolarHBondContact O-CD1 3.33Å; S498-L573 VanDerWaalsContact CA-O 3.31Å; S498-L573 WeakPolarHBondContact CA-O 3.18Å; S498-L573 PolarHBondContact N-O 2.91Å
499L86.5Confident89.8Confident93 Ų9357.4 Ų57.449%0.48732%0.323SS..SBendtrans-76.9147.6168.5-173.367.3000110H495 T496 A497 I501 L573H495-L499 PolarHBondContact CE1-O 3.33Å; T496-L499 WeakPolarHBondContact O-CB 3.48Å; T496-L499 PolarHBondContact O-N 2.69Å; A497-L499 PolarHBondContact O-N 3.44Å; L499-I501 PolarHBondContact O-N 3.45Å; L499-L573 PolarHBondContact O-N 3.18Å
500A89.1Confident89.9Confident40 Ų4056 Ų5633%0.33132%0.317SS..EExtended strand (participates in β ladder)trans-68.4124.4175.700000110.7Q570 Y572A500-Q570 HydrophobicContact CB-CG 4.13Å; A500-Q570 VanDerWaalsContact CB-NE2 3.34Å; A500-Y572 HydrophobicContact CB-CD1 4.26Å; A500-Y572 HydrophobicContact CB-CE1 3.98Å
501I91.1Very high89.9Confident26 Ų2654.1 Ų54.113%0.13332%0.315CS..EExtended strand (participates in β ladder)trans-80.1-47.4175.4-72.5163.6000110.1F489 V491 L499 F563 I571 L573F489-I501 HydrophobicContact CB-CG2 3.86Å; F489-I501 HydrophobicContact CD1-CG2 4.47Å; F489-I501 HydrophobicContact CD2-CG2 4.38Å; F489-I501 HydrophobicContact CG-CG2 3.99Å; V491-I501 HydrophobicContact CG1-CG1 4.49Å; V491-I501 HydrophobicContact CG2-CB 4.33Å; V491-I501 HydrophobicContact CG2-CG1 4.17Å; V491-I501 HydrophobicContact CG2-CG2 3.42Å; V491-I501 VanDerWaalsContact CG2-CG2 3.42Å; L499-I501 PolarHBondContact O-N 3.45Å; I501-F563 HydrophobicContact CD1-CD1 3.39Å; I501-F563 HydrophobicContact CD1-CE1 3.35Å; I501-I571 HydrophobicContact CB-CG2 4.42Å; I501-I571 HydrophobicContact CD1-CG2 4.2Å; I501-I571 PolarHBondContact N-O 2.89Å; I501-L573 HydrophobicContact CD1-CB 4.04Å; I501-L573 HydrophobicContact CG1-CB 4.5Å
502G90.6Very high89.8Confident12 Ų1256.8 Ų56.812%0.12434%0.343CS..EExtended strand (participates in β ladder)trans177.7165.2-174.100000111F489 Q570 I571F489-G502 VanDerWaalsContact CE1-CA 3.5Å; G502-Q570 PolarHBondContact O-NE2 3.04Å; G502-I571 PolarHBondContact O-N 2.92Å
503K92Very high89.8Confident101 Ų10161.6 Ų61.644%0.43936%0.356SS..EExtended strand (participates in β ladder)trans-119133.5-177.9-177.7164.9176.1144.50109.6D568 G569K503-D568 WeakPolarHBondContact CE-O 3.43Å; K503-D568 PolarHBondContact NZ-O 3.27Å; K503-D568 IonicContact NZ-OD2 3.97Å; K503-D568 PolarHBondContact NZ-OD2 2.64Å; K503-G569 WeakPolarHBondContact CA-O 3.3Å
504I91.4Very high90Very high1 Ų162.3 Ų62.31%0.00536%0.36CS..  trans-97.7147.7170.867172.5000110I487 F489 F519 I565 G569 I571 V590 V606I487-I504 HydrophobicContact CD1-CB 3.63Å; I487-I504 HydrophobicContact CD1-CG2 3.47Å; I487-I504 VanDerWaalsContact CD1-CG2 3.47Å; I487-I504 HydrophobicContact CG2-CG2 3.92Å; F489-I504 HydrophobicContact CE2-CG2 3.98Å; F489-I504 HydrophobicContact CZ-CG2 4.18Å; I504-F519 HydrophobicContact CD1-CD1 3.34Å; I504-F519 HydrophobicContact CD1-CE1 3.6Å; I504-F519 HydrophobicContact CD1-CG 4.14Å; I504-F519 HydrophobicContact CG1-CD1 3.71Å; I504-F519 HydrophobicContact CG1-CE1 3.65Å; I504-F519 HydrophobicContact CG1-CG 4.25Å; I504-F519 HydrophobicContact CG1-CZ 4.17Å; I504-I565 HydrophobicContact CD1-CD1 3.49Å; I504-I565 VanDerWaalsContact CD1-CD1 3.49Å; I504-I565 HydrophobicContact CG1-CD1 4.02Å; I504-G569 WeakPolarHBondContact CG1-O 3.11Å; I504-G569 PolarHBondContact N-O 3.09Å; I504-I571 HydrophobicContact CG2-CD1 4.03Å; I504-V590 HydrophobicContact CD1-CB 4.32Å; I504-V590 HydrophobicContact CD1-CG1 3.7Å; I504-V590 HydrophobicContact CD1-CG2 4.4Å; I504-V606 HydrophobicContact CG2-CG2 4.05Å
505T91.2Very high90.2Very high101 Ų10159 Ų5962%0.6235%0.346SS*.  trans-132.2139.2178.255.70000108.3
506A91.7Very high90.4Very high18 Ų1862 Ų6215%0.14936%0.361CS..  trans-117.7160.2172.100000108.7S482 I483 I517 F519 V592S482-A506 WeakPolarHBondContact O-CA 3.14Å; S482-A506 WeakPolarHBondContact O-CB 3.37Å; I483-A506 HydrophobicContact CD1-CB 4.21Å; I483-A506 HydrophobicContact CG1-CB 3.56Å; A506-I517 HydrophobicContact CB-CD1 3.74Å; A506-I517 WeakPolarHBondContact O-CD1 3.32Å; A506-F519 HydrophobicContact CB-CE1 4.08Å; A506-F519 HydrophobicContact CB-CZ 3.95Å; A506-V592 HydrophobicContact CB-CB 4.48Å; A506-V592 HydrophobicContact CB-CG1 3.71Å; A506-V592 HydrophobicContact CB-CG2 4.25Å
507H91.3Very high90.8Very high118 Ų11859.3 Ų59.355%0.54634%0.342SS..BIsolated β-bridgetrans-119.8129.8175.1179.848.9000108.9S482S482-H507 PolarHBondContact N-O 3.27Å; S482-H507 PolarHBondContact O-N 3.46Å; S482-H507 PolarHBondContact OG-O 2.86Å
508D93.8Very high91.3Very high12 Ų1258.3 Ų58.36%0.06433%0.33CS..  trans-116.5135.2171.6-157.3-49.8000107.3P481 D510 A515 I517P481-D508 WeakPolarHBondContact CA-OD2 3.37Å; P481-D508 HydrophobicContact CB-CB 4.26Å; P481-D508 WeakPolarHBondContact CB-OD2 3.06Å; P481-D508 VanDerWaalsContact CD-OD2 3.29Å; P481-D508 WeakPolarHBondContact CD-OD2 3.49Å; D508-D510 PolarHBondContact OD1-N 3.38Å; D508-A515 HydrophobicContact CB-CB 3.88Å; D508-I517 HydrophobicContact CB-CG2 4.13Å
509A92Very high91.9Very high40 Ų4054.5 Ų54.533%0.33130%0.303SS..SBendtrans-82.8-19.8-174.400000112.1R443 E444 N479R443-A509 PolarHBondContact NH2-O 2.98Å; E444-A509 HydrophobicContact CG-CB 3.78Å; N479-A509 HydrophobicContact CB-CB 4.01Å
510D94.8Very high92.2Very high7 Ų753.1 Ų53.14%0.03730%0.299CS..SBendtrans-69.4-174.3-179.4-64.1-9.8000111.2N477 D478 N479 D508 N514 A515N477-D510 WeakPolarHBondContact CA-OD2 3.49Å; N477-D510 PolarHBondContact OD1-OD2 2.89Å; N477-D510 VanDerWaalsContact OD1-OD2 3.13Å; D478-D510 PolarHBondContact N-OD2 3.14Å; N479-D510 VanDerWaalsContact CB-OD1 3.3Å; N479-D510 WeakPolarHBondContact CB-OD1 3.4Å; N479-D510 PolarHBondContact N-OD2 3.38Å; N479-D510 PolarHBondContact ND2-OD1 3.09Å; D508-D510 PolarHBondContact OD1-N 3.38Å; D510-N514 HydrophobicContact CB-CB 3.5Å; D510-A515 WeakPolarHBondContact O-CB 3.49Å
511I92.3Very high92.3Very high92 Ų9253 Ų5347%0.47229%0.292SS..  trans-127.5161.1176.356.8160.9000114.4D475 R513 N514D475-I511 HydrophobicContact CB-CD1 4.13Å; D475-I511 HydrophobicContact CB-CG1 3.66Å; D475-I511 VanDerWaalsContact CG-CG1 3.42Å; D475-I511 WeakPolarHBondContact OD1-CG1 3.2Å; D475-I511 PolarHBondContact OD1-N 3.37Å; D475-I511 PolarHBondContact OD2-N 3.45Å; I511-R513 PolarHBondContact O-N 3.13Å; I511-N514 WeakPolarHBondContact O-CB 2.99Å; I511-N514 PolarHBondContact O-N 3.05Å
512G91.8Very high92.3Very high62 Ų6256 Ų5664%0.63931%0.308SS*.THydrogen-bonded Turntrans62.3-125.6176.100000111.6N514 A515 E516G512-N514 VanDerWaalsContact C-N 3.31Å; G512-A515 PolarHBondContact O-N 3.09Å; G512-E516 PolarHBondContact O-N 3.09Å
513R91.6Very high92.2Very high185 Ų18559.3 Ų59.370%0.69832%0.32SS*.THydrogen-bonded Turntrans-69.7-29.2179.8-78.8-169.1172.2-176.2-0.4113.3I511 A515 E516 Q595 G596I511-R513 PolarHBondContact O-N 3.13Å; R513-A515 PolarHBondContact O-N 3.01Å; R513-E516 PolarHBondContact O-N 3.49Å; R513-E516 VanDerWaalsContact O-N 3.15Å; R513-Q595 HydrophobicContact CB-CB 4.34Å; R513-Q595 CarbonylContact O-C 3.24Å; R513-Q595 VanDerWaalsContact O-C 3.26Å; R513-Q595 WeakPolarHBondContact O-CA 3.42Å; R513-Q595 WeakPolarHBondContact O-CB 3.24Å; R513-Q595 PolarHBondContact O-N 2.83Å; R513-Q595 VanDerWaalsContact O-N 3.1Å; R513-G596 PolarHBondContact O-N 3.01Å
514N92.2Very high92.2Very high23 Ų2355.1 Ų55.112%0.12330%0.303CS..THydrogen-bonded Turntrans-68.2-27.6178.4-66.5-7.4000110.7D475 N477 D510 I511 G512 D594 G596D475-N514 WeakPolarHBondContact OD2-CB 3.36Å; D475-N514 PolarHBondContact OD2-ND2 3.47Å; N477-N514 HydrophobicContact CB-CB 4.14Å; N477-N514 PolarHBondContact N-ND2 2.8Å; N477-N514 VanDerWaalsContact OD1-CA 3.25Å; N477-N514 WeakPolarHBondContact OD1-CA 3.27Å; N477-N514 WeakPolarHBondContact OD1-CB 3.45Å; N477-N514 PolarHBondContact OD1-O 3.33Å; D510-N514 HydrophobicContact CB-CB 3.5Å; I511-N514 WeakPolarHBondContact O-CB 2.99Å; I511-N514 PolarHBondContact O-N 3.05Å; G512-N514 VanDerWaalsContact C-N 3.31Å; N514-D594 WeakPolarHBondContact O-CB 3.24Å; N514-G596 WeakPolarHBondContact OD1-CA 3.44Å
515A92.4Very high92Very high31 Ų3156.3 Ų56.326%0.25631%0.309SS..THydrogen-bonded Turntrans-98.95.6169.500000115.8D508 D510 G512 R513 I517D508-A515 HydrophobicContact CB-CB 3.88Å; D510-A515 WeakPolarHBondContact O-CB 3.49Å; G512-A515 PolarHBondContact O-N 3.09Å; R513-A515 PolarHBondContact O-N 3.01Å; A515-I517 PolarHBondContact O-N 3.47Å; A515-I517 VanDerWaalsContact O-N 3.15Å
516E93.2Very high91.8Very high105 Ų10552.4 Ų52.449%0.49129%0.287SS..  trans-81.996.3179.8-171.9179.3177.800110.4G512 R513 D594 Q595G512-E516 PolarHBondContact O-N 3.09Å; R513-E516 PolarHBondContact O-N 3.49Å; R513-E516 VanDerWaalsContact O-N 3.15Å; E516-D594 CarbonylContact O-C 3.48Å; E516-D594 VanDerWaalsContact O-C 3.27Å; E516-D594 VanDerWaalsContact O-CA 3.29Å; E516-D594 WeakPolarHBondContact O-CA 3.33Å; E516-Q595 HydrophobicContact CB-CB 4.18Å; E516-Q595 HydrophobicContact CB-CG 4.06Å; E516-Q595 HydrophobicContact CG-CG 4.01Å; E516-Q595 WeakPolarHBondContact O-CG 3.32Å; E516-Q595 PolarHBondContact O-N 3.45Å
517I93.2Very high91.4Very high43 Ų4354.5 Ų54.522%0.22129%0.292CS..  trans-85.7147.4-174.358.4173.4000114P481 A506 D508 A515 F519 V592 E593P481-I517 HydrophobicContact CB-CG2 3.58Å; P481-I517 HydrophobicContact CG-CG2 4.34Å; A506-I517 HydrophobicContact CB-CD1 3.74Å; A506-I517 WeakPolarHBondContact O-CD1 3.32Å; D508-I517 HydrophobicContact CB-CG2 4.13Å; A515-I517 PolarHBondContact O-N 3.47Å; A515-I517 VanDerWaalsContact O-N 3.15Å; I517-F519 HydrophobicContact CD1-CE2 3.88Å; I517-F519 HydrophobicContact CD1-CZ 3.78Å; I517-F519 HydrophobicContact CG1-CE2 4.32Å; I517-V592 HydrophobicContact CB-CG1 3.97Å; I517-V592 HydrophobicContact CG2-CG1 4.17Å; I517-E593 CarbonylContact C-O 3.58Å
518T93.4Very high90.7Very high27 Ų2749.8 Ų49.817%0.16627%0.274CS..EExtended strand (participates in β ladder)trans-133.3140.9170.854.90000111.4V592 E593 Q595T518-V592 WeakPolarHBondContact O-CA 3.37Å; T518-E593 PolarHBondContact N-O 2.84Å; T518-E593 PolarHBondContact O-N 2.86Å; T518-E593 PolarHBondContact OG1-O 3.1Å; T518-E593 VanDerWaalsContact OG1-O 3.06Å; T518-Q595 PolarHBondContact OG1-NE2 3.49Å; T518-Q595 VanDerWaalsContact OG1-NE2 3.11Å
519F94.3Very high89.6Confident8 Ų852.5 Ų52.54%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-102.9140.2-179.3-61.2-88.1000111.9I483 I504 A506 I517 I565 K567 G569 V590 V592I483-F519 HydrophobicContact CD1-CE1 4.28Å; I504-F519 HydrophobicContact CD1-CD1 3.34Å; I504-F519 HydrophobicContact CD1-CE1 3.6Å; I504-F519 HydrophobicContact CD1-CG 4.14Å; I504-F519 HydrophobicContact CG1-CD1 3.71Å; I504-F519 HydrophobicContact CG1-CE1 3.65Å; I504-F519 HydrophobicContact CG1-CG 4.25Å; I504-F519 HydrophobicContact CG1-CZ 4.17Å; A506-F519 HydrophobicContact CB-CE1 4.08Å; A506-F519 HydrophobicContact CB-CZ 3.95Å; I517-F519 HydrophobicContact CD1-CE2 3.88Å; I517-F519 HydrophobicContact CD1-CZ 3.78Å; I517-F519 HydrophobicContact CG1-CE2 4.32Å; F519-I565 HydrophobicContact CB-CD1 3.9Å; F519-I565 HydrophobicContact CB-CG1 4.25Å; F519-K567 WeakPolarHBondContact CD2-O 3.44Å; F519-K567 PolarHBondContact N-O 2.93Å; F519-K567 VanDerWaalsContact N-O 3.14Å; F519-G569 VanDerWaalsContact CD2-N 3.26Å; F519-V590 HydrophobicContact CB-CG1 4.4Å; F519-V590 HydrophobicContact CD1-CG1 4.18Å; F519-V592 HydrophobicContact CD1-CB 4.38Å; F519-V592 HydrophobicContact CD1-CG1 4.14Å; F519-V592 HydrophobicContact CD1-CG2 3.7Å; F519-V592 HydrophobicContact CE1-CB 4.32Å; F519-V592 HydrophobicContact CE1-CG1 3.84Å; F519-V592 HydrophobicContact CE1-CG2 3.57Å; F519-V592 HydrophobicContact CZ-CG1 4.25Å
520T93.2Very high88.1Confident64 Ų6460.6 Ų60.639%0.39332%0.317SS..EExtended strand (participates in β ladder)trans-139.6135.9175.955.40000111V590 R591T520-V590 WeakPolarHBondContact O-CA 3.5Å; T520-V590 WeakPolarHBondContact O-CG1 3.17Å; T520-R591 PolarHBondContact N-O 3.08Å; T520-R591 PolarHBondContact O-N 2.94Å; T520-R591 PolarHBondContact OG1-O 3.43Å
521L91.9Very high86Confident38 Ų3863.5 Ų63.520%0.19934%0.337CS..EExtended strand (participates in β ladder)trans-83.5116.9175.2-178.764.2000108.5Q523 I565 L588 V590L521-Q523 WeakPolarHBondContact CD1-O 3.47Å; L521-I565 HydrophobicContact CB-CG2 3.63Å; L521-I565 VanDerWaalsContact N-CG2 3.28Å; L521-L588 HydrophobicContact CD1-CB 3.8Å; L521-L588 HydrophobicContact CD1-CD2 4.08Å; L521-L588 HydrophobicContact CD1-CG 3.88Å; L521-V590 HydrophobicContact CD1-CG2 4.32Å
522I90.5Very high83.9Confident88 Ų8864.2 Ų64.245%0.45134%0.337SS..EExtended strand (participates in β ladder)trans-85.8-48.2175.5-61.7176.6000109.7T589 R591 T603I522-T589 HydrophobicContact CB-CG2 4.42Å; I522-T589 HydrophobicContact CD1-CG2 4.5Å; I522-T589 PolarHBondContact N-O 2.87Å; I522-R591 HydrophobicContact CD1-CB 3.46Å; I522-R591 VanDerWaalsContact CD1-CB 3.46Å; I522-R591 HydrophobicContact CD1-CG 4.36Å; I522-R591 HydrophobicContact CG1-CB 3.86Å; I522-T603 HydrophobicContact CD1-CG2 3.92Å
523Q89.3Confident81.4Confident82 Ų8268 Ų6838%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-146.8143.9-169.4-168.1176.311.900110.6L521 I525 L588 T589L521-Q523 WeakPolarHBondContact CD1-O 3.47Å; Q523-I525 HydrophobicContact CG-CD1 4.46Å; Q523-I525 HydrophobicContact CG-CG1 4.02Å; Q523-L588 CarbonylContact O-C 3.55Å; Q523-L588 WeakPolarHBondContact O-CA 2.89Å; Q523-T589 PolarHBondContact N-O 3.45Å; Q523-T589 PolarHBondContact O-N 3.32Å
524C90.5Very high78.6Confident13 Ų1365.8 Ų65.89%0.08835%0.345CS..EExtended strand (participates in β ladder)trans-128.3124.2170.7-179.30000107.7I559 E587C524-I559 HydrophobicContact CB-CG2 4.43Å; C524-I559 WeakPolarHBondContact O-CG2 3.46Å; C524-I559 PolarHBondContact SG-O 3.29Å; C524-E587 WeakPolarHBondContact CA-O 3.11Å
525I86.9Confident75.8Confident25 Ų2570 Ų7013%0.12838%0.376CS..EExtended strand (participates in β ladder)trans-116.6134.3178.5-55.4176.5000107.6Q523 Y527 Y586 E587Q523-I525 HydrophobicContact CG-CD1 4.46Å; Q523-I525 HydrophobicContact CG-CG1 4.02Å; I525-Y527 HydrophobicContact CG2-CE1 4.21Å; I525-Y527 HydrophobicContact CG2-CE2 4.16Å; I525-Y586 CarbonylContact O-C 3.59Å; I525-Y586 WeakPolarHBondContact O-CA 2.99Å; I525-E587 HydrophobicContact CB-CB 4.38Å; I525-E587 PolarHBondContact N-O 2.88Å; I525-E587 PolarHBondContact O-N 2.91Å
526A87.3Confident73.1Confident19 Ų1975.5 Ų75.516%0.15740%0.401CS..EExtended strand (participates in β ladder)trans-109.1127.2174.400000109.6I559 Y583 Y586A526-I559 HydrophobicContact CB-CD1 4.04Å; A526-I559 HydrophobicContact CB-CG1 4.11Å; A526-I559 HydrophobicContact CB-CG2 3.88Å; A526-Y583 HydrophobicContact CB-CD1 3.65Å; A526-Y583 HydrophobicContact CB-CD2 4.18Å; A526-Y583 HydrophobicContact CB-CE1 4.01Å; A526-Y583 HydrophobicContact CB-CE2 4.48Å; A526-Y583 HydrophobicContact CB-CG 3.77Å; A526-Y586 HydrophobicContact CB-CD1 3.56Å; A526-Y586 HydrophobicContact CB-CE1 3.38Å; A526-Y586 HydrophobicContact CB-CG 4.47Å
527Y84.2Confident70.4Confident63 Ų6375.9 Ų75.925%0.24742%0.415CS..EExtended strand (participates in β ladder)trans-103118.8176.7-63-79.9000109.7I525 P584 L585 E587I525-Y527 HydrophobicContact CG2-CE1 4.21Å; I525-Y527 HydrophobicContact CG2-CE2 4.16Å; Y527-P584 WeakPolarHBondContact O-CD 3.18Å; Y527-L585 HydrophobicContact CD2-CB 4.29Å; Y527-L585 HydrophobicContact CD2-CD2 3.85Å; Y527-L585 HydrophobicContact CD2-CG 3.97Å; Y527-L585 HydrophobicContact CE2-CD2 4.3Å; Y527-L585 PolarHBondContact N-O 2.76Å; Y527-E587 HydrophobicContact CE2-CB 3.66Å; Y527-E587 WeakPolarHBondContact CE2-OE2 3.06Å; Y527-E587 PolarHBondContact OH-OE2 3.25Å
528G77Confident67.7Low18 Ų1880.2 Ų80.219%0.18644%0.438CS..  trans-83.8164.5175.700000113.3K530 S531 L582G528-K530 PolarHBondContact O-N 2.89Å; G528-K530 VanDerWaalsContact O-N 3.11Å; G528-S531 WeakPolarHBondContact O-CB 3.43Å; G528-S531 PolarHBondContact O-N 3.19Å; G528-L582 WeakPolarHBondContact CA-O 3.23Å
529L69.4Low64.7Low70 Ų7084.8 Ų84.837%0.36647%0.465SS..G310 helixtrans-54.6-33.4-178.1-74.3171.1000114S531 F532 E581 P584L529-S531 PolarHBondContact O-N 3.21Å; L529-F532 PolarHBondContact O-N 3.42Å; L529-E581 VanDerWaalsContact CD1-O 3.24Å; L529-E581 WeakPolarHBondContact CD1-O 3.38Å; L529-P584 HydrophobicContact CD2-CB 4.46Å; L529-P584 HydrophobicContact CD2-CG 3.93Å; L529-P584 HydrophobicContact CG-CG 4.26Å
530K60.3Low61.9Low210 Ų21092.8 Ų92.891%0.91350%0.502SS*.G310 helixtrans-67.2-21.4176.8-69.1-175.9-178.6176.80113.6G528 F532G528-K530 PolarHBondContact O-N 2.89Å; G528-K530 VanDerWaalsContact O-N 3.11Å; K530-F532 VanDerWaalsContact C-N 3.28Å; K530-F532 PolarHBondContact O-N 3.26Å
531S52.2Low59.2Low67 Ų6798.2 Ų98.247%0.46952%0.523SS..G310 helixtrans-75.1-16.5178-166.20000112.9G528 L529G528-S531 WeakPolarHBondContact O-CB 3.43Å; G528-S531 PolarHBondContact O-N 3.19Å; L529-S531 PolarHBondContact O-N 3.21Å
532F48.5Very low56.6Low108 Ų10899.6 Ų99.647%0.47454%0.536SS..THydrogen-bonded Turntrans-97-16.7-172.2-83.3-84.5000115.1L529 K530 N534 P584 L585L529-F532 PolarHBondContact O-N 3.42Å; K530-F532 VanDerWaalsContact C-N 3.28Å; K530-F532 PolarHBondContact O-N 3.26Å; F532-N534 PolarHBondContact O-N 2.75Å; F532-P584 HydrophobicContact CD2-CG 4.22Å; F532-P584 HydrophobicContact CE2-CG 4.05Å; F532-L585 HydrophobicContact CE1-CD2 4.46Å; F532-L585 HydrophobicContact CE2-CB 4.07Å; F532-L585 HydrophobicContact CZ-CB 3.82Å; F532-L585 HydrophobicContact CZ-CD2 3.66Å; F532-L585 HydrophobicContact CZ-CG 4.37Å
533N37.8Very low54.4Low142 Ų142101.3 Ų101.376%0.75954%0.537SS*.  trans-93.834.8-171.1-79.8-9.7000115.5
534N32.9Very low52Low138 Ų138104.5 Ų104.574%0.73855%0.552SS**  trans-129.683.8164.6-90.4-12.1000109.6F532 D536F532-N534 PolarHBondContact O-N 2.75Å; N534-D536 VanDerWaalsContact C-N 3.34Å; N534-D536 PolarHBondContact O-N 2.98Å; N534-D536 VanDerWaalsContact O-N 3.15Å
535S33.6Very low49.6Very low110 Ų110109.6 Ų109.677%0.76958%0.578SS**  trans-71.694.1155.753.80000107.8
536D35.8Very low47.5Very low148 Ų148116.3 Ų116.379%0.79160%0.603SS**SBendtrans168.5103.8146.9-83.6-21.7000107.8N534N534-D536 VanDerWaalsContact C-N 3.34Å; N534-D536 PolarHBondContact O-N 2.98Å; N534-D536 VanDerWaalsContact O-N 3.15Å
537S36.2Very low45.1Very low112 Ų112120.4 Ų120.478%0.78362%0.622SS**  trans55.279.2170.7-500000115.4V539S537-V539 PolarHBondContact O-N 2.82Å
538I36.1Very low43Very low135 Ų135121.4 Ų121.469%0.69264%0.638SS**  trans-69.488.1161.2-59.8175.3000107.4H540I538-H540 PolarHBondContact O-N 3.1Å
539V31.1Very low41.4Very low122 Ų122123.7 Ų123.774%0.73965%0.652SS**  trans-51.8126.7148.5177.80000105.8S537 E541S537-V539 PolarHBondContact O-N 2.82Å; V539-E541 PolarHBondContact O-N 2.6Å
540H34.7Very low40.1Very low177 Ų177130.8 Ų130.882%0.81968%0.68SS**  trans-53.988.2170.1-75.4-94.3000109.5I538 S542I538-H540 PolarHBondContact O-N 3.1Å; H540-S542 PolarHBondContact O-N 2.86Å
541E37.1Very low39.3Very low178 Ų178129.4 Ų129.483%0.83267%0.674SS**  trans-67.197.3151.6-112.2-177.1174.400104.8V539 Y543V539-E541 PolarHBondContact O-N 2.6Å; E541-Y543 PolarHBondContact O-N 3.38Å; E541-Y543 VanDerWaalsContact O-N 3.12Å
542S37.1Very low39.3Very low66 Ų66129.3 Ų129.346%0.46267%0.668SS.*  trans-48.6120.1-179.351.80000110H540 E544 N545H540-S542 PolarHBondContact O-N 2.86Å; S542-E544 PolarHBondContact O-N 3.35Å; S542-N545 PolarHBondContact O-N 3.21Å; S542-N545 VanDerWaalsContact O-N 3.11Å
543Y43.5Very low39.5Very low125 Ų125131.5 Ų131.549%0.4968%0.677SS.*THydrogen-bonded Turntrans-49.1-15.9176.7-173.6-102.2000114.5E541 N545 Y546 L547E541-Y543 PolarHBondContact O-N 3.38Å; E541-Y543 VanDerWaalsContact O-N 3.12Å; Y543-N545 PolarHBondContact O-N 3.46Å; Y543-N545 VanDerWaalsContact O-N 3.11Å; Y543-Y546 PolarHBondContact O-N 3.31Å; Y543-L547 HydrophobicContact CD1-CD1 3.87Å; Y543-L547 HydrophobicContact CE1-CD1 3.72Å; Y543-L547 HydrophobicContact CE1-CG 4.27Å
544E40.9Very low40.6Very low149 Ų149128.7 Ų128.770%0.69667%0.669SS**Hα-helixtrans-47.3-30.8167.3-71-91.814300113.9S542 S548S542-E544 PolarHBondContact O-N 3.35Å; E544-S548 PolarHBondContact O-OG 2.88Å
545N39.2Very low42.2Very low119 Ų119125 Ų12564%0.63665%0.647SS**Hα-helixtrans-82.3-19-177.4-78.4-19.6000115.2S542 Y543 S548S542-N545 PolarHBondContact O-N 3.21Å; S542-N545 VanDerWaalsContact O-N 3.11Å; Y543-N545 PolarHBondContact O-N 3.46Å; Y543-N545 VanDerWaalsContact O-N 3.11Å; N545-S548 WeakPolarHBondContact CA-OG 2.88Å; N545-S548 PolarHBondContact O-OG 3.16Å
546Y43.1Very low43.8Very low166 Ų166121.7 Ų121.765%0.65162%0.624SS**Hα-helixtrans-84.9-28.5176.2-152.6-99000111.8Y543 S548Y543-Y546 PolarHBondContact O-N 3.31Å; Y546-S548 VanDerWaalsContact C-N 3.27Å; Y546-S548 PolarHBondContact O-N 3.4Å
547L37.4Very low45.4Very low106 Ų106117.6 Ų117.656%0.55560%0.602SS**Hα-helixtrans-71.8-17173.6-81.3158.3000113.4Y543 S549Y543-L547 HydrophobicContact CD1-CD1 3.87Å; Y543-L547 HydrophobicContact CE1-CD1 3.72Å; Y543-L547 HydrophobicContact CE1-CG 4.27Å; L547-S549 PolarHBondContact O-N 3.06Å
548S40.1Very low47.3Very low83 Ų83118 Ų11858%0.5859%0.591SS**THydrogen-bonded Turntrans-76.4-8179.6-3.40000113.5E544 N545 Y546 K550E544-S548 PolarHBondContact O-OG 2.88Å; N545-S548 WeakPolarHBondContact CA-OG 2.88Å; N545-S548 PolarHBondContact O-OG 3.16Å; Y546-S548 VanDerWaalsContact C-N 3.27Å; Y546-S548 PolarHBondContact O-N 3.4Å; S548-K550 PolarHBondContact O-N 3.31Å
549S42.9Very low49.5Very low67 Ų67112.6 Ų112.647%0.46956%0.563SS.*SBendtrans-82.7104.3166.4119.20000109.1L547 K551L547-S549 PolarHBondContact O-N 3.06Å; S549-K551 PolarHBondContact O-N 3.29Å
550K41.7Very low51.9Low219 Ų219110.6 Ų110.695%0.95255%0.547SS*.THydrogen-bonded Turntrans-59.916.7-178.3-125.7174.5-174.9175.10115.5S548S548-K550 PolarHBondContact O-N 3.31Å
551K42.8Very low54.2Low181 Ų181107.9 Ų107.979%0.78753%0.53SS*.THydrogen-bonded Turntrans-115.5-8.4-174.3-94.2-171.6175.2-178.90117.2S549S549-K551 PolarHBondContact O-N 3.29Å
552N52.9Low56.6Low65 Ų6599.7 Ų99.735%0.34849%0.492SS..  trans-121.926.4-175.2-72.812.4000115.8S554 Q555 S556N552-S554 PolarHBondContact O-N 2.83Å; N552-Q555 HydrophobicContact CB-CB 4.03Å; N552-Q555 PolarHBondContact ND2-OE1 2.91Å; N552-Q555 WeakPolarHBondContact O-CB 3.29Å; N552-Q555 PolarHBondContact O-N 3.22Å; N552-S556 PolarHBondContact O-N 3.46Å
553F51.7Low59.2Low154 Ų15496.6 Ų96.668%0.67547%0.47SS*.Hα-helixtrans-56.8-31.9171.5-176.6-110.7000112.8Q555 S556 L557F553-Q555 VanDerWaalsContact C-N 3.31Å; F553-Q555 PolarHBondContact O-N 2.85Å; F553-S556 WeakPolarHBondContact CA-OG 3.18Å; F553-S556 PolarHBondContact O-OG 2.88Å; F553-L557 HydrophobicContact CD1-CD1 3.52Å; F553-L557 HydrophobicContact CE1-CD1 3.18Å; F553-L557 HydrophobicContact CE1-CG 4.16Å; F553-L557 HydrophobicContact CE2-CD1 4.37Å; F553-L557 HydrophobicContact CG-CD1 4.26Å; F553-L557 HydrophobicContact CZ-CD1 3.66Å; F553-L557 HydrophobicContact CZ-CG 4.16Å; F553-L557 PolarHBondContact O-N 3.46Å; F553-L557 VanDerWaalsContact O-N 3.12Å
554S62.9Low61.4Low82 Ų8295.2 Ų95.257%0.57347%0.467SS*.Hα-helixtrans-62.1-39.5173.155.60000112.1N552 L557 E558N552-S554 PolarHBondContact O-N 2.83Å; S554-L557 PolarHBondContact O-N 3.15Å; S554-E558 WeakPolarHBondContact O-CB 3.41Å; S554-E558 PolarHBondContact O-N 2.83Å
555Q65Low63.9Low62 Ų6289.4 Ų89.429%0.2944%0.441SS..Hα-helixtrans-71.9-39.4-178.3-158173.927.200111.5N552 F553 E558 I559 Y583N552-Q555 HydrophobicContact CB-CB 4.03Å; N552-Q555 PolarHBondContact ND2-OE1 2.91Å; N552-Q555 WeakPolarHBondContact O-CB 3.29Å; N552-Q555 PolarHBondContact O-N 3.22Å; F553-Q555 VanDerWaalsContact C-N 3.31Å; F553-Q555 PolarHBondContact O-N 2.85Å; Q555-E558 PolarHBondContact O-N 2.71Å; Q555-I559 VanDerWaalsContact O-CG1 3.29Å; Q555-I559 WeakPolarHBondContact O-CG1 3.5Å; Q555-I559 PolarHBondContact O-N 2.82Å; Q555-Y583 PolarHBondContact NE2-OH 2.87Å
556S67.1Low66.4Low39 Ų3985.2 Ų85.227%0.27342%0.423SS..Hα-helixtrans-66.3-38174.855.30000112.9N552 F553 M560N552-S556 PolarHBondContact O-N 3.46Å; F553-S556 WeakPolarHBondContact CA-OG 3.18Å; F553-S556 PolarHBondContact O-OG 2.88Å; S556-M560 PolarHBondContact O-N 3.37Å; S556-M560 VanDerWaalsContact O-N 3.14Å
557L69Low68.7Low63 Ų6385.2 Ų85.233%0.3343%0.426SS..Hα-helixtrans-64.6-43.7173.3-85.8159.4000111.4F553 S554 I559 M560 Y561F553-L557 HydrophobicContact CD1-CD1 3.52Å; F553-L557 HydrophobicContact CE1-CD1 3.18Å; F553-L557 HydrophobicContact CE1-CG 4.16Å; F553-L557 HydrophobicContact CE2-CD1 4.37Å; F553-L557 HydrophobicContact CG-CD1 4.26Å; F553-L557 HydrophobicContact CZ-CD1 3.66Å; F553-L557 HydrophobicContact CZ-CG 4.16Å; F553-L557 PolarHBondContact O-N 3.46Å; F553-L557 VanDerWaalsContact O-N 3.12Å; S554-L557 PolarHBondContact O-N 3.15Å; L557-I559 PolarHBondContact O-N 2.82Å; L557-M560 PolarHBondContact O-N 3.36Å; L557-Y561 HydrophobicContact CD2-CE2 3.82Å; L557-Y561 WeakPolarHBondContact O-CD2 3.42Å; L557-Y561 PolarHBondContact O-N 3.08Å
558E77.9Confident71.3Confident119 Ų11983.7 Ų83.756%0.55642%0.419SS*.Hα-helixtrans-62.8-41.4179.6-169169-160.300112.1S554 Q555 Y561 T562S554-E558 WeakPolarHBondContact O-CB 3.41Å; S554-E558 PolarHBondContact O-N 2.83Å; Q555-E558 PolarHBondContact O-N 2.71Å; E558-Y561 PolarHBondContact O-N 2.77Å; E558-T562 PolarHBondContact O-N 2.92Å; E558-T562 VanDerWaalsContact O-N 3.12Å; E558-T562 PolarHBondContact O-OG1 3.16Å
559I82.3Confident73.8Confident23 Ų2379.8 Ų79.812%0.11839%0.391CS..Hα-helixtrans-62-43.8173.7-67.6164.1000111C524 A526 Q555 L557 Y561 T562C524-I559 HydrophobicContact CB-CG2 4.43Å; C524-I559 WeakPolarHBondContact O-CG2 3.46Å; C524-I559 PolarHBondContact SG-O 3.29Å; A526-I559 HydrophobicContact CB-CD1 4.04Å; A526-I559 HydrophobicContact CB-CG1 4.11Å; A526-I559 HydrophobicContact CB-CG2 3.88Å; Q555-I559 VanDerWaalsContact O-CG1 3.29Å; Q555-I559 WeakPolarHBondContact O-CG1 3.5Å; Q555-I559 PolarHBondContact O-N 2.82Å; L557-I559 PolarHBondContact O-N 2.82Å; I559-Y561 VanDerWaalsContact C-N 3.32Å; I559-Y561 PolarHBondContact O-N 3.41Å; I559-T562 WeakPolarHBondContact CA-OG1 3.24Å; I559-T562 VanDerWaalsContact O-CB 3.24Å; I559-T562 WeakPolarHBondContact O-CB 3.24Å; I559-T562 PolarHBondContact O-N 3.23Å; I559-T562 VanDerWaalsContact O-N 3.1Å; I559-T562 PolarHBondContact O-OG1 2.99Å
560M80.2Confident76.2Confident80 Ų8078.2 Ų78.239%0.39438%0.376SS..Hα-helixtrans-62-37.6178.9-172.2-95.4-157.700112.9S556 L557 T562S556-M560 PolarHBondContact O-N 3.37Å; S556-M560 VanDerWaalsContact O-N 3.14Å; L557-M560 PolarHBondContact O-N 3.36Å; M560-T562 VanDerWaalsContact C-N 3.32Å
561Y83.4Confident78.6Confident120 Ų12067.8 Ų67.847%0.47133%0.331SS..THydrogen-bonded Turntrans-86.23.5176.1-67.7-62.4000114.6L557 E558 I559 F563 F564L557-Y561 HydrophobicContact CD2-CE2 3.82Å; L557-Y561 WeakPolarHBondContact O-CD2 3.42Å; L557-Y561 PolarHBondContact O-N 3.08Å; E558-Y561 PolarHBondContact O-N 2.77Å; I559-Y561 VanDerWaalsContact C-N 3.32Å; I559-Y561 PolarHBondContact O-N 3.41Å; Y561-F563 VanDerWaalsContact C-N 3.27Å; Y561-F563 PolarHBondContact O-N 3Å; Y561-F564 AromaticContact CD1-CE1 3.81Å; Y561-F564 HydrophobicContact CD1-CE1 3.81Å; Y561-F564 AromaticContact CD1-CZ 3.87Å; Y561-F564 HydrophobicContact CD1-CZ 3.87Å; Y561-F564 HydrophobicContact CG-CZ 4.5Å; Y561-F564 VanDerWaalsContact O-CE2 3.3Å; Y561-F564 WeakPolarHBondContact O-CE2 3.41Å
562T87.7Confident81Confident5 Ų563.2 Ų63.23%0.03131%0.309CS..THydrogen-bonded Turntrans-66-35.2178-62.20000110.8E558 I559 M560 L573 G574 L578 Y586E558-T562 PolarHBondContact O-N 2.92Å; E558-T562 VanDerWaalsContact O-N 3.12Å; E558-T562 PolarHBondContact O-OG1 3.16Å; I559-T562 WeakPolarHBondContact CA-OG1 3.24Å; I559-T562 VanDerWaalsContact O-CB 3.24Å; I559-T562 WeakPolarHBondContact O-CB 3.24Å; I559-T562 PolarHBondContact O-N 3.23Å; I559-T562 VanDerWaalsContact O-N 3.1Å; I559-T562 PolarHBondContact O-OG1 2.99Å; M560-T562 VanDerWaalsContact C-N 3.32Å; T562-L573 HydrophobicContact CG2-CD1 4.33Å; T562-G574 WeakPolarHBondContact O-CA 3.44Å; T562-G574 PolarHBondContact O-N 3.41Å; T562-L578 HydrophobicContact CG2-CD2 4.04Å; T562-Y586 HydrophobicContact CG2-CE1 4.06Å
563F91.5Very high82.8Confident1 Ų160.3 Ų60.30%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-124.5148.2175.8-58-77.3000111.3I501 Y561 I571 Y572 L573 L578 Y586 L588 I608I501-F563 HydrophobicContact CD1-CD1 3.39Å; I501-F563 HydrophobicContact CD1-CE1 3.35Å; Y561-F563 VanDerWaalsContact C-N 3.27Å; Y561-F563 PolarHBondContact O-N 3Å; F563-I571 HydrophobicContact CB-CG2 4.38Å; F563-I571 HydrophobicContact CD1-CG2 4.38Å; F563-Y572 WeakPolarHBondContact CA-O 3.27Å; F563-L573 HydrophobicContact CD1-CD1 4.36Å; F563-L573 HydrophobicContact CE1-CD1 3.99Å; F563-L578 HydrophobicContact CE1-CD2 4.37Å; F563-L578 HydrophobicContact CZ-CD2 3.93Å; F563-Y586 HydrophobicContact CD2-CD1 4.44Å; F563-Y586 AromaticContact CE2-CD1 3.61Å; F563-Y586 HydrophobicContact CE2-CD1 3.61Å; F563-Y586 AromaticContact CE2-CD2 3.9Å; F563-Y586 HydrophobicContact CE2-CD2 3.9Å; F563-Y586 HydrophobicContact CE2-CE1 4.1Å; F563-Y586 HydrophobicContact CE2-CE2 4.4Å; F563-Y586 AromaticContact CE2-CG 3.47Å; F563-Y586 HydrophobicContact CE2-CG 3.47Å; F563-Y586 VanDerWaalsContact CE2-CG 3.47Å; F563-Y586 HydrophobicContact CZ-CD1 4.5Å; F563-Y586 HydrophobicContact CZ-CD2 4.03Å; F563-Y586 HydrophobicContact CZ-CE2 4.43Å; F563-Y586 HydrophobicContact CZ-CG 4.07Å; F563-L588 HydrophobicContact CB-CD2 3.9Å; F563-L588 HydrophobicContact CD2-CD1 3.91Å; F563-L588 HydrophobicContact CD2-CD2 4.37Å; F563-L588 HydrophobicContact CD2-CG 4.5Å; F563-L588 HydrophobicContact CE2-CD1 4.3Å; F563-L588 HydrophobicContact CG-CD2 4.2Å; F563-I608 HydrophobicContact CD1-CD1 3.76Å; F563-I608 HydrophobicContact CD2-CD1 4.22Å; F563-I608 HydrophobicContact CE1-CD1 3.67Å; F563-I608 HydrophobicContact CE1-CG2 4.29Å; F563-I608 HydrophobicContact CE2-CD1 4.14Å; F563-I608 HydrophobicContact CG-CD1 4.03Å; F563-I608 HydrophobicContact CZ-CB 4.43Å; F563-I608 HydrophobicContact CZ-CD1 3.86Å; F563-I608 HydrophobicContact CZ-CG2 4.12Å
564F90Very high84.4Confident97 Ų9753.1 Ų53.143%0.42526%0.263SS..EExtended strand (participates in β ladder)trans-122.1137171.4-64.1-85.5000108.8Y561 I571 Y572 G574Y561-F564 AromaticContact CD1-CE1 3.81Å; Y561-F564 HydrophobicContact CD1-CE1 3.81Å; Y561-F564 AromaticContact CD1-CZ 3.87Å; Y561-F564 HydrophobicContact CD1-CZ 3.87Å; Y561-F564 HydrophobicContact CG-CZ 4.5Å; Y561-F564 VanDerWaalsContact O-CE2 3.3Å; Y561-F564 WeakPolarHBondContact O-CE2 3.41Å; F564-I571 CarbonylContact O-C 3.57Å; F564-I571 WeakPolarHBondContact O-CA 3.46Å; F564-Y572 PolarHBondContact N-O 3.46Å; F564-Y572 PolarHBondContact O-N 3.25Å; F564-G574 VanDerWaalsContact CE2-CA 3.4Å
565I92.5Very high85.1Confident27 Ų2760.7 Ų60.714%0.13828%0.279CS..EExtended strand (participates in β ladder)trans-108.4126169.3-161.1165.8000109.6I504 F519 L521 Q570 I571 V590I504-I565 HydrophobicContact CD1-CD1 3.49Å; I504-I565 VanDerWaalsContact CD1-CD1 3.49Å; I504-I565 HydrophobicContact CG1-CD1 4.02Å; F519-I565 HydrophobicContact CB-CD1 3.9Å; F519-I565 HydrophobicContact CB-CG1 4.25Å; L521-I565 HydrophobicContact CB-CG2 3.63Å; L521-I565 VanDerWaalsContact N-CG2 3.28Å; I565-Q570 WeakPolarHBondContact CA-O 3.2Å; I565-I571 HydrophobicContact CD1-CG1 4.04Å; I565-I571 HydrophobicContact CG1-CG1 4.06Å; I565-V590 HydrophobicContact CD1-CG1 3.72Å; I565-V590 HydrophobicContact CD1-CG2 4.11Å
566A91.9Very high85.6Confident31 Ų3158.8 Ų58.826%0.25627%0.273SS..  trans-75.4158.2170.500000110.3D568 G569 Q570 Y572A566-D568 WeakPolarHBondContact CB-OD1 3.37Å; A566-D568 PolarHBondContact O-N 3.28Å; A566-G569 PolarHBondContact O-N 2.8Å; A566-Q570 HydrophobicContact CB-CB 4.26Å; A566-Q570 PolarHBondContact N-O 3.31Å; A566-Y572 HydrophobicContact CB-CE2 3.99Å
567K91.7Very high86.3Confident165 Ų16566.3 Ų66.372%0.71730%0.3SS*.THydrogen-bonded Turntrans-58.5-22.8-179.2-72.3-169.6174.7-170.80113.6F519 G569F519-K567 WeakPolarHBondContact CD2-O 3.44Å; F519-K567 PolarHBondContact N-O 2.93Å; F519-K567 VanDerWaalsContact N-O 3.14Å; K567-G569 VanDerWaalsContact C-N 3.33Å
568D91.4Very high87.3Confident75 Ų7563.8 Ų63.840%0.40129%0.287SS..THydrogen-bonded Turntrans-88.53.917878.9-40.7000113.6K503 A566 Q570K503-D568 WeakPolarHBondContact CE-O 3.43Å; K503-D568 PolarHBondContact NZ-O 3.27Å; K503-D568 IonicContact NZ-OD2 3.97Å; K503-D568 PolarHBondContact NZ-OD2 2.64Å; A566-D568 WeakPolarHBondContact CB-OD1 3.37Å; A566-D568 PolarHBondContact O-N 3.28Å; D568-Q570 WeakPolarHBondContact OD1-CB 3.46Å; D568-Q570 PolarHBondContact OD1-N 2.95Å
569G92.4Very high87.7Confident0 Ų061.5 Ų61.50%028%0.279CS..SBendtrans90.52.7177.700000114.6K503 I504 F519 A566 K567 I571K503-G569 WeakPolarHBondContact CA-O 3.3Å; I504-G569 WeakPolarHBondContact CG1-O 3.11Å; I504-G569 PolarHBondContact N-O 3.09Å; F519-G569 VanDerWaalsContact CD2-N 3.26Å; A566-G569 PolarHBondContact O-N 2.8Å; K567-G569 VanDerWaalsContact C-N 3.33Å; G569-I571 PolarHBondContact O-N 2.89Å
570Q94Very high88Confident35 Ų3561.2 Ų61.216%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-73.9121.8176.3-167.669.46100110.7A500 G502 I565 A566 D568 Y572A500-Q570 HydrophobicContact CB-CG 4.13Å; A500-Q570 VanDerWaalsContact CB-NE2 3.34Å; G502-Q570 PolarHBondContact O-NE2 3.04Å; I565-Q570 WeakPolarHBondContact CA-O 3.2Å; A566-Q570 HydrophobicContact CB-CB 4.26Å; A566-Q570 PolarHBondContact N-O 3.31Å; D568-Q570 WeakPolarHBondContact OD1-CB 3.46Å; D568-Q570 PolarHBondContact OD1-N 2.95Å; Q570-Y572 HydrophobicContact CB-CD2 4.48Å; Q570-Y572 HydrophobicContact CB-CE2 3.66Å; Q570-Y572 HydrophobicContact CG-CD2 4.2Å; Q570-Y572 HydrophobicContact CG-CE1 4.05Å; Q570-Y572 HydrophobicContact CG-CE2 3.44Å; Q570-Y572 VanDerWaalsContact CG-CE2 3.44Å; Q570-Y572 WeakPolarHBondContact CG-OH 3.39Å; Q570-Y572 WeakPolarHBondContact O-CD2 3.34Å
571I93.3Very high88.3Confident0 Ų059 Ų590%027%0.265CS..EExtended strand (participates in β ladder)trans-92.5131.9176-55.7179000109F489 I501 G502 I504 F563 F564 I565 G569 L588 V606 I608F489-I571 HydrophobicContact CD2-CD1 4.26Å; F489-I571 HydrophobicContact CE2-CD1 3.8Å; I501-I571 HydrophobicContact CB-CG2 4.42Å; I501-I571 HydrophobicContact CD1-CG2 4.2Å; I501-I571 PolarHBondContact N-O 2.89Å; G502-I571 PolarHBondContact O-N 2.92Å; I504-I571 HydrophobicContact CG2-CD1 4.03Å; F563-I571 HydrophobicContact CB-CG2 4.38Å; F563-I571 HydrophobicContact CD1-CG2 4.38Å; F564-I571 CarbonylContact O-C 3.57Å; F564-I571 WeakPolarHBondContact O-CA 3.46Å; I565-I571 HydrophobicContact CD1-CG1 4.04Å; I565-I571 HydrophobicContact CG1-CG1 4.06Å; G569-I571 PolarHBondContact O-N 2.89Å; I571-L588 HydrophobicContact CD1-CD2 4.39Å; I571-L588 HydrophobicContact CG2-CD2 4.32Å; I571-V606 HydrophobicContact CD1-CG1 3.97Å; I571-I608 HydrophobicContact CG2-CD1 4.22Å
572Y91.5Very high88.4Confident85 Ų8557.4 Ų57.433%0.33326%0.264SS..EExtended strand (participates in β ladder)trans-122.2145178.8-63.4-88.5000110.7S498 A500 F563 F564 A566 Q570S498-Y572 WeakPolarHBondContact O-CD1 3.33Å; A500-Y572 HydrophobicContact CB-CD1 4.26Å; A500-Y572 HydrophobicContact CB-CE1 3.98Å; F563-Y572 WeakPolarHBondContact CA-O 3.27Å; F564-Y572 PolarHBondContact N-O 3.46Å; F564-Y572 PolarHBondContact O-N 3.25Å; A566-Y572 HydrophobicContact CB-CE2 3.99Å; Q570-Y572 HydrophobicContact CB-CD2 4.48Å; Q570-Y572 HydrophobicContact CB-CE2 3.66Å; Q570-Y572 HydrophobicContact CG-CD2 4.2Å; Q570-Y572 HydrophobicContact CG-CE1 4.05Å; Q570-Y572 HydrophobicContact CG-CE2 3.44Å; Q570-Y572 VanDerWaalsContact CG-CE2 3.44Å; Q570-Y572 WeakPolarHBondContact CG-OH 3.39Å; Q570-Y572 WeakPolarHBondContact O-CD2 3.34Å
573L91Very high88.4Confident3 Ų359 Ų592%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-71.5130.7164.3-176.660.8000109.2H495 S498 L499 I501 T562 F563 L578H495-L573 HydrophobicContact CB-CD2 4.34Å; H495-L573 VanDerWaalsContact O-CD2 3.31Å; H495-L573 WeakPolarHBondContact O-CD2 3.16Å; S498-L573 VanDerWaalsContact CA-O 3.31Å; S498-L573 WeakPolarHBondContact CA-O 3.18Å; S498-L573 PolarHBondContact N-O 2.91Å; L499-L573 PolarHBondContact O-N 3.18Å; I501-L573 HydrophobicContact CD1-CB 4.04Å; I501-L573 HydrophobicContact CG1-CB 4.5Å; T562-L573 HydrophobicContact CG2-CD1 4.33Å; F563-L573 HydrophobicContact CD1-CD1 4.36Å; F563-L573 HydrophobicContact CE1-CD1 3.99Å; L573-L578 HydrophobicContact CD1-CD1 3.9Å; L573-L578 HydrophobicContact CD1-CD2 3.65Å; L573-L578 HydrophobicContact CD1-CG 3.66Å; L573-L578 HydrophobicContact CD2-CD1 3.89Å; L573-L578 HydrophobicContact CD2-CG 4.02Å
574G84.9Confident88.2Confident3 Ų359.9 Ų59.93%0.03128%0.276CS..  trans-70.5-153.8176.700000114.1A497 T562 F564 S576A497-G574 WeakPolarHBondContact CB-O 3.49Å; T562-G574 WeakPolarHBondContact O-CA 3.44Å; T562-G574 PolarHBondContact O-N 3.41Å; F564-G574 VanDerWaalsContact CE2-CA 3.4Å; G574-S576 VanDerWaalsContact C-N 3.32Å
575R77.4Confident88.2Confident241 Ų24156.1 Ų56.191%0.90926%0.26SS*.SBendtrans-83.2-10.7175.5-69.6-174177.7-175.60.1113.3
576S77Confident88.2Confident23 Ų2355.2 Ų55.216%0.16126%0.255CS..SBendtrans-71.4143177.8-51.50000110.3G574G574-S576 VanDerWaalsContact C-N 3.32Å
577K81.7Confident88.1Confident196 Ų19655.4 Ų55.485%0.85225%0.25SS*.PPolyproline II helixtrans-81.5140.7167.3-70.1-173.5176.6-172.50108.8
578L89.2Confident88.2Confident11 Ų1147.6 Ų47.66%0.05822%0.217CC..PPolyproline II helixtrans-81144.6169.2-57.9169.3000108V491 E493 H495 T562 F563 L573 Y586 I610V491-L578 HydrophobicContact CG1-CD1 3.94Å; E493-L578 HydrophobicContact CB-CB 4.17Å; E493-L578 WeakPolarHBondContact O-CB 3.18Å; H495-L578 HydrophobicContact CB-CD1 4.34Å; T562-L578 HydrophobicContact CG2-CD2 4.04Å; F563-L578 HydrophobicContact CE1-CD2 4.37Å; F563-L578 HydrophobicContact CZ-CD2 3.93Å; L573-L578 HydrophobicContact CD1-CD1 3.9Å; L573-L578 HydrophobicContact CD1-CD2 3.65Å; L573-L578 HydrophobicContact CD1-CG 3.66Å; L573-L578 HydrophobicContact CD2-CD1 3.89Å; L573-L578 HydrophobicContact CD2-CG 4.02Å; L578-Y586 HydrophobicContact CD2-CE2 4.16Å; L578-I610 HydrophobicContact CB-CG2 4.47Å; L578-I610 HydrophobicContact CD1-CD1 4.07Å; L578-I610 HydrophobicContact CD2-CD1 4.09Å
579D87.4Confident88.2Confident70 Ų7045.1 Ų45.137%0.37420%0.204SC..  trans-145.8110.2179.8172.2-23.2000104.9E581 L582 Y583D579-E581 PolarHBondContact OD1-N 3.31Å; D579-E581 VanDerWaalsContact OD1-N 3.16Å; D579-L582 HydrophobicContact CB-CB 4.11Å; D579-L582 PolarHBondContact O-N 2.88Å; D579-L582 PolarHBondContact OD1-N 3.03Å; D579-Y583 PolarHBondContact O-N 3.43Å
580R88.8Confident88.2Confident17 Ų1745.1 Ų45.16%0.06420%0.204CC..THydrogen-bonded Turntrans-74-32.9-172.3-169.4-131.462.8117.7-14111.2E493 L582 P584 I610 D612 V650 S652E493-R580 HydrophobicContact CB-CB 4.31Å; E493-R580 WeakPolarHBondContact OE2-CB 3.3Å; E493-R580 PolarHBondContact OE2-N 3.03Å; R580-L582 PolarHBondContact O-N 3.31Å; R580-P584 WeakPolarHBondContact O-CD 3.23Å; R580-I610 HydrophobicContact CB-CB 4.38Å; R580-I610 HydrophobicContact CB-CG2 3.78Å; R580-I610 HydrophobicContact CG-CB 4.13Å; R580-I610 HydrophobicContact CG-CG2 4Å; R580-D612 VanDerWaalsContact CD-CB 3.47Å; R580-D612 WeakPolarHBondContact CD-OD1 3.37Å; R580-D612 IonicContact CZ-OD1 3.95Å; R580-D612 VanDerWaalsContact CZ-OD1 3.26Å; R580-D612 IonicContact NE-OD1 3.82Å; R580-D612 PolarHBondContact NE-OD1 2.57Å; R580-D612 IonicContact NH2-OD1 3.89Å; R580-V650 PolarHBondContact NH2-O 3.08Å; R580-V650 VanDerWaalsContact NH2-O 3.15Å; R580-S652 PolarHBondContact NH1-OG 3.28Å; R580-S652 PolarHBondContact NH2-OG 3.17Å
581E86Confident88.1Confident34 Ų3447.4 Ų47.416%0.15921%0.212CC..THydrogen-bonded Turntrans-63.6-29.9174.9-73.556.8-109.100111.1L529 D579 N616 V650L529-E581 VanDerWaalsContact CD1-O 3.24Å; L529-E581 WeakPolarHBondContact CD1-O 3.38Å; D579-E581 PolarHBondContact OD1-N 3.31Å; D579-E581 VanDerWaalsContact OD1-N 3.16Å; E581-N616 PolarHBondContact OE2-ND2 2.83Å; E581-V650 HydrophobicContact CG-CB 4.07Å; E581-V650 HydrophobicContact CG-CG2 3.88Å
582L84.6Confident88.1Confident87 Ų8747.4 Ų47.446%0.45521%0.212SC..THydrogen-bonded Turntrans-83.1-52.3175.4-165.565.3000112.4G528 D579 R580G528-L582 WeakPolarHBondContact CA-O 3.23Å; D579-L582 HydrophobicContact CB-CB 4.11Å; D579-L582 PolarHBondContact O-N 2.88Å; D579-L582 PolarHBondContact OD1-N 3.03Å; R580-L582 PolarHBondContact O-N 3.31Å
583Y88Confident88.2Confident37 Ų3745.2 Ų45.215%0.14520%0.204CC..  trans-140.793.5-174.1-58-60.3000112.7A526 Q555 D579 L585 Y586 I610A526-Y583 HydrophobicContact CB-CD1 3.65Å; A526-Y583 HydrophobicContact CB-CD2 4.18Å; A526-Y583 HydrophobicContact CB-CE1 4.01Å; A526-Y583 HydrophobicContact CB-CE2 4.48Å; A526-Y583 HydrophobicContact CB-CG 3.77Å; Q555-Y583 PolarHBondContact NE2-OH 2.87Å; D579-Y583 PolarHBondContact O-N 3.43Å; Y583-L585 VanDerWaalsContact C-N 3.34Å; Y583-L585 PolarHBondContact O-N 3.45Å; Y583-Y586 WeakPolarHBondContact CD2-OH 3.26Å; Y583-I610 WeakPolarHBondContact O-CG1 3.37Å
584P87.4Confident88.4Confident21 Ų2145.1 Ų45.114%0.13620%0.204CC..SBendtrans-72.3-19.2178.428-40000115.1Y527 L529 F532 R580 I610Y527-P584 WeakPolarHBondContact O-CD 3.18Å; L529-P584 HydrophobicContact CD2-CB 4.46Å; L529-P584 HydrophobicContact CD2-CG 3.93Å; L529-P584 HydrophobicContact CG-CG 4.26Å; F532-P584 HydrophobicContact CD2-CG 4.22Å; F532-P584 HydrophobicContact CE2-CG 4.05Å; R580-P584 WeakPolarHBondContact O-CD 3.23Å; P584-I610 PolarHBondContact O-N 3.11Å
585L90.8Very high88.8Confident17 Ų1747.5 Ų47.59%0.08921%0.214CC..EExtended strand (participates in β ladder)trans-139.4134.3-177.4178.466.6000111.1Y527 F532 Y583 L607Y527-L585 HydrophobicContact CD2-CB 4.29Å; Y527-L585 HydrophobicContact CD2-CD2 3.85Å; Y527-L585 HydrophobicContact CD2-CG 3.97Å; Y527-L585 HydrophobicContact CE2-CD2 4.3Å; Y527-L585 PolarHBondContact N-O 2.76Å; F532-L585 HydrophobicContact CE1-CD2 4.46Å; F532-L585 HydrophobicContact CE2-CB 4.07Å; F532-L585 HydrophobicContact CZ-CB 3.82Å; F532-L585 HydrophobicContact CZ-CD2 3.66Å; F532-L585 HydrophobicContact CZ-CG 4.37Å; Y583-L585 VanDerWaalsContact C-N 3.34Å; Y583-L585 PolarHBondContact O-N 3.45Å; L585-L607 HydrophobicContact CD1-CB 4.06Å; L585-L607 HydrophobicContact CD1-CD2 4.34Å; L585-L607 HydrophobicContact CD2-CD2 4.49Å
586Y91.4Very high89.4Confident8 Ų836.1 Ų36.13%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-115.7142.5166.3-64.9-100.9000111I525 A526 T562 F563 L578 Y583 L607 I608 I610I525-Y586 CarbonylContact O-C 3.59Å; I525-Y586 WeakPolarHBondContact O-CA 2.99Å; A526-Y586 HydrophobicContact CB-CD1 3.56Å; A526-Y586 HydrophobicContact CB-CE1 3.38Å; A526-Y586 HydrophobicContact CB-CG 4.47Å; T562-Y586 HydrophobicContact CG2-CE1 4.06Å; F563-Y586 HydrophobicContact CD2-CD1 4.44Å; F563-Y586 AromaticContact CE2-CD1 3.61Å; F563-Y586 HydrophobicContact CE2-CD1 3.61Å; F563-Y586 AromaticContact CE2-CD2 3.9Å; F563-Y586 HydrophobicContact CE2-CD2 3.9Å; F563-Y586 HydrophobicContact CE2-CE1 4.1Å; F563-Y586 HydrophobicContact CE2-CE2 4.4Å; F563-Y586 AromaticContact CE2-CG 3.47Å; F563-Y586 HydrophobicContact CE2-CG 3.47Å; F563-Y586 VanDerWaalsContact CE2-CG 3.47Å; F563-Y586 HydrophobicContact CZ-CD1 4.5Å; F563-Y586 HydrophobicContact CZ-CD2 4.03Å; F563-Y586 HydrophobicContact CZ-CE2 4.43Å; F563-Y586 HydrophobicContact CZ-CG 4.07Å; L578-Y586 HydrophobicContact CD2-CE2 4.16Å; Y583-Y586 WeakPolarHBondContact CD2-OH 3.26Å; Y586-L607 CarbonylContact O-C 3.57Å; Y586-L607 WeakPolarHBondContact O-CA 3.42Å; Y586-I608 PolarHBondContact N-O 2.83Å; Y586-I608 PolarHBondContact O-N 3.39Å; Y586-I610 HydrophobicContact CD2-CD1 3.93Å; Y586-I610 HydrophobicContact CD2-CG1 3.93Å; Y586-I610 HydrophobicContact CE2-CD1 4.01Å; Y586-I610 HydrophobicContact CE2-CG1 3.79Å
587E90.8Very high89.9Confident35 Ų3541.2 Ų41.216%0.16420%0.202CC..EExtended strand (participates in β ladder)trans-119.6115.7176.3-179-174.6141.300109.5C524 I525 Y527 I605 L607C524-E587 WeakPolarHBondContact CA-O 3.11Å; I525-E587 HydrophobicContact CB-CB 4.38Å; I525-E587 PolarHBondContact N-O 2.88Å; I525-E587 PolarHBondContact O-N 2.91Å; Y527-E587 HydrophobicContact CE2-CB 3.66Å; Y527-E587 WeakPolarHBondContact CE2-OE2 3.06Å; Y527-E587 PolarHBondContact OH-OE2 3.25Å; E587-I605 HydrophobicContact CG-CG2 3.38Å; E587-L607 HydrophobicContact CB-CD2 3.9Å; E587-L607 HydrophobicContact CG-CD2 3.85Å
588L92.6Very high90.4Very high1 Ų136.7 Ų36.71%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-104116-179.3-7665.1000108.3L521 Q523 F563 I571 V590 I605 V606 I608L521-L588 HydrophobicContact CD1-CB 3.8Å; L521-L588 HydrophobicContact CD1-CD2 4.08Å; L521-L588 HydrophobicContact CD1-CG 3.88Å; Q523-L588 CarbonylContact O-C 3.55Å; Q523-L588 WeakPolarHBondContact O-CA 2.89Å; F563-L588 HydrophobicContact CB-CD2 3.9Å; F563-L588 HydrophobicContact CD2-CD1 3.91Å; F563-L588 HydrophobicContact CD2-CD2 4.37Å; F563-L588 HydrophobicContact CD2-CG 4.5Å; F563-L588 HydrophobicContact CE2-CD1 4.3Å; F563-L588 HydrophobicContact CG-CD2 4.2Å; I571-L588 HydrophobicContact CD1-CD2 4.39Å; I571-L588 HydrophobicContact CG2-CD2 4.32Å; L588-V590 HydrophobicContact CB-CG2 4.22Å; L588-V590 PolarHBondContact O-N 3.49Å; L588-I605 WeakPolarHBondContact O-CA 3.5Å; L588-V606 HydrophobicContact CB-CB 4.21Å; L588-V606 PolarHBondContact N-O 2.87Å; L588-V606 PolarHBondContact O-N 3.01Å; L588-I608 HydrophobicContact CD1-CD1 3.74Å; L588-I608 HydrophobicContact CD1-CG1 4.09Å; L588-I608 HydrophobicContact CD2-CD1 3.85Å; L588-I608 HydrophobicContact CG-CD1 4.48Å
589T91.7Very high90.5Very high24 Ų2440.6 Ų40.615%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-84112.1167.4-55.80000108.6I522 Q523 T604I522-T589 HydrophobicContact CB-CG2 4.42Å; I522-T589 HydrophobicContact CD1-CG2 4.5Å; I522-T589 PolarHBondContact N-O 2.87Å; Q523-T589 PolarHBondContact N-O 3.45Å; Q523-T589 PolarHBondContact O-N 3.32Å; T589-T604 WeakPolarHBondContact CA-O 3.44Å
590V92.5Very high90.8Very high0 Ų039.4 Ų39.40%020%0.202CC..EExtended strand (participates in β ladder)trans-111.9131.8-176.5-177.40000109.7I504 F519 T520 L521 I565 L588 T603 T604 V606I504-V590 HydrophobicContact CD1-CB 4.32Å; I504-V590 HydrophobicContact CD1-CG1 3.7Å; I504-V590 HydrophobicContact CD1-CG2 4.4Å; F519-V590 HydrophobicContact CB-CG1 4.4Å; F519-V590 HydrophobicContact CD1-CG1 4.18Å; T520-V590 WeakPolarHBondContact O-CA 3.5Å; T520-V590 WeakPolarHBondContact O-CG1 3.17Å; L521-V590 HydrophobicContact CD1-CG2 4.32Å; I565-V590 HydrophobicContact CD1-CG1 3.72Å; I565-V590 HydrophobicContact CD1-CG2 4.11Å; L588-V590 HydrophobicContact CB-CG2 4.22Å; L588-V590 PolarHBondContact O-N 3.49Å; V590-T603 CarbonylContact O-C 3.53Å; V590-T603 WeakPolarHBondContact O-CA 3.15Å; V590-T604 HydrophobicContact CB-CG2 4.12Å; V590-T604 PolarHBondContact N-O 2.95Å; V590-T604 PolarHBondContact O-N 2.86Å; V590-V606 HydrophobicContact CG2-CG2 4.01Å
591R92.7Very high91Very high83 Ų8340.9 Ų40.931%0.31322%0.215SC..EExtended strand (participates in β ladder)trans-99.4130.3170.9176.9174.9-175.7-135-10.7110.7T520 I522 E593 S601 S602 T603T520-R591 PolarHBondContact N-O 3.08Å; T520-R591 PolarHBondContact O-N 2.94Å; T520-R591 PolarHBondContact OG1-O 3.43Å; I522-R591 HydrophobicContact CD1-CB 3.46Å; I522-R591 VanDerWaalsContact CD1-CB 3.46Å; I522-R591 HydrophobicContact CD1-CG 4.36Å; I522-R591 HydrophobicContact CG1-CB 3.86Å; R591-E593 IonicContact CZ-OE1 2.74Å; R591-E593 IonicContact NH1-OE1 3.2Å; R591-E593 IonicContact NH2-OE1 3.84Å; R591-E593 PolarHBondContact NH2-OE1 3.36Å; R591-S601 PolarHBondContact NE-OG 3.1Å; R591-S601 PolarHBondContact NH2-OG 3.03Å; R591-S602 WeakPolarHBondContact CA-O 3.33Å; R591-T603 HydrophobicContact CB-CG2 4.24Å
592V93.4Very high91.3Very high0 Ų040.8 Ų40.80%022%0.219CC..EExtended strand (participates in β ladder)trans-105.1128.2171.2-162.80000107.6P481 I483 A506 I517 T518 F519 S601 S602P481-V592 HydrophobicContact CB-CB 4.35Å; P481-V592 HydrophobicContact CB-CG1 3.81Å; P481-V592 HydrophobicContact CG-CB 4.19Å; P481-V592 HydrophobicContact CG-CG1 3.97Å; I483-V592 HydrophobicContact CD1-CG2 3.58Å; I483-V592 HydrophobicContact CG1-CG2 4.27Å; A506-V592 HydrophobicContact CB-CB 4.48Å; A506-V592 HydrophobicContact CB-CG1 3.71Å; A506-V592 HydrophobicContact CB-CG2 4.25Å; I517-V592 HydrophobicContact CB-CG1 3.97Å; I517-V592 HydrophobicContact CG2-CG1 4.17Å; T518-V592 WeakPolarHBondContact O-CA 3.37Å; F519-V592 HydrophobicContact CD1-CB 4.38Å; F519-V592 HydrophobicContact CD1-CG1 4.14Å; F519-V592 HydrophobicContact CD1-CG2 3.7Å; F519-V592 HydrophobicContact CE1-CB 4.32Å; F519-V592 HydrophobicContact CE1-CG1 3.84Å; F519-V592 HydrophobicContact CE1-CG2 3.57Å; F519-V592 HydrophobicContact CZ-CG1 4.25Å; V592-S601 CarbonylContact O-C 3.59Å; V592-S601 WeakPolarHBondContact O-CA 3.37Å; V592-S601 WeakPolarHBondContact O-CB 3.42Å; V592-S602 PolarHBondContact N-O 3.1Å; V592-S602 PolarHBondContact O-N 3.44Å
593E93.3Very high91.6Very high39 Ų3941.3 Ų41.318%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-134.6133.6-179.4-175.5-175.5-114.300109.4I517 T518 R591 K599 L600I517-E593 CarbonylContact C-O 3.58Å; T518-E593 PolarHBondContact N-O 2.84Å; T518-E593 PolarHBondContact O-N 2.86Å; T518-E593 PolarHBondContact OG1-O 3.1Å; T518-E593 VanDerWaalsContact OG1-O 3.06Å; R591-E593 IonicContact CZ-OE1 2.74Å; R591-E593 IonicContact NH1-OE1 3.2Å; R591-E593 IonicContact NH2-OE1 3.84Å; R591-E593 PolarHBondContact NH2-OE1 3.36Å; E593-K599 HydrophobicContact CG-CB 3.97Å; E593-K599 HydrophobicContact CG-CD 4.03Å; E593-K599 IonicContact OE2-NZ 3.17Å; E593-K599 PolarHBondContact OE2-NZ 2.89Å; E593-L600 WeakPolarHBondContact CA-O 3.18Å
594D94.8Very high91.7Very high0 Ų040.7 Ų40.70%023%0.226CC..  trans-72.2-179.617365.942.3000112.8N477 N514 E516 G596 K599 L600N477-D594 VanDerWaalsContact ND2-CG 3.35Å; N477-D594 PolarHBondContact ND2-OD1 3.23Å; N477-D594 PolarHBondContact ND2-OD2 3.2Å; N477-D594 PolarHBondContact OD1-OD2 2.81Å; N514-D594 WeakPolarHBondContact O-CB 3.24Å; E516-D594 CarbonylContact O-C 3.48Å; E516-D594 VanDerWaalsContact O-C 3.27Å; E516-D594 VanDerWaalsContact O-CA 3.29Å; E516-D594 WeakPolarHBondContact O-CA 3.33Å; D594-G596 PolarHBondContact OD1-N 2.86Å; D594-K599 VanDerWaalsContact OD1-CA 3.23Å; D594-K599 WeakPolarHBondContact OD1-CA 3.43Å; D594-L600 PolarHBondContact N-O 3.33Å; D594-L600 VanDerWaalsContact N-O 3.11Å; D594-L600 PolarHBondContact OD1-N 2.87Å; D594-L600 VanDerWaalsContact OD2-CA 3.28Å; D594-L600 WeakPolarHBondContact OD2-CA 3.48Å; D594-L600 WeakPolarHBondContact OD2-CB 3.44Å; D594-L600 PolarHBondContact OD2-N 2.99Å
595Q92.7Very high91.9Very high54 Ų5443.4 Ų43.425%0.25224%0.238SC..SBendtrans-108.322.1169.9-59.5-47-5600113R513 E516 T518R513-Q595 HydrophobicContact CB-CB 4.34Å; R513-Q595 CarbonylContact O-C 3.24Å; R513-Q595 VanDerWaalsContact O-C 3.26Å; R513-Q595 WeakPolarHBondContact O-CA 3.42Å; R513-Q595 WeakPolarHBondContact O-CB 3.24Å; R513-Q595 PolarHBondContact O-N 2.83Å; R513-Q595 VanDerWaalsContact O-N 3.1Å; E516-Q595 HydrophobicContact CB-CB 4.18Å; E516-Q595 HydrophobicContact CB-CG 4.06Å; E516-Q595 HydrophobicContact CG-CG 4.01Å; E516-Q595 WeakPolarHBondContact O-CG 3.32Å; E516-Q595 PolarHBondContact O-N 3.45Å; T518-Q595 PolarHBondContact OG1-NE2 3.49Å; T518-Q595 VanDerWaalsContact OG1-NE2 3.11Å
596G90.3Very high92Very high2 Ų242.6 Ų42.62%0.02123%0.234CC..SBendtrans-75.1177.7178.200000113.9R513 N514 D594 P598 K599R513-G596 PolarHBondContact O-N 3.01Å; N514-G596 WeakPolarHBondContact OD1-CA 3.44Å; D594-G596 PolarHBondContact OD1-N 2.86Å; G596-P598 CarbonylContact C-O 3.58Å; G596-P598 CarbonylContact O-C 3.49Å; G596-K599 WeakPolarHBondContact O-CG 3.14Å; G596-K599 PolarHBondContact O-N 2.83Å
597T87.9Confident92Very high130 Ų13043.2 Ų43.280%0.79824%0.238SC*.SBendtrans-134.7108.1176.453.90000111
598P91.4Very high92.2Very high100 Ų10041.5 Ų41.565%0.64923%0.23SC*.SBendcis-68154-1.632.2-35.9000111.4N477 G596N477-P598 PolarHBondContact ND2-O 2.86Å; G596-P598 CarbonylContact C-O 3.58Å; G596-P598 CarbonylContact O-C 3.49Å
599K92.2Very high92.1Very high93 Ų9343.8 Ų43.840%0.40424%0.24SC..PPolyproline II helixtrans-70.9133174.9-65.8-176.9165.4-148.40110.9E593 D594 G596E593-K599 HydrophobicContact CG-CB 3.97Å; E593-K599 HydrophobicContact CG-CD 4.03Å; E593-K599 IonicContact OE2-NZ 3.17Å; E593-K599 PolarHBondContact OE2-NZ 2.89Å; D594-K599 VanDerWaalsContact OD1-CA 3.23Å; D594-K599 WeakPolarHBondContact OD1-CA 3.43Å; G596-K599 WeakPolarHBondContact O-CG 3.14Å; G596-K599 PolarHBondContact O-N 2.83Å
600L93.9Very high92.1Very high45 Ų4543.1 Ų43.124%0.23624%0.236CC..PPolyproline II helixtrans-102.2149.5171.2-54.8174000109.9P480 E593 D594P480-L600 HydrophobicContact CB-CB 3.95Å; E593-L600 WeakPolarHBondContact CA-O 3.18Å; D594-L600 PolarHBondContact N-O 3.33Å; D594-L600 VanDerWaalsContact N-O 3.11Å; D594-L600 PolarHBondContact OD1-N 2.87Å; D594-L600 VanDerWaalsContact OD2-CA 3.28Å; D594-L600 WeakPolarHBondContact OD2-CA 3.48Å; D594-L600 WeakPolarHBondContact OD2-CB 3.44Å; D594-L600 PolarHBondContact OD2-N 2.99Å
601S92.9Very high91.9Very high48 Ų4846.6 Ų46.634%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-149.9148.5-177.667.30000112.9R591 V592R591-S601 PolarHBondContact NE-OG 3.1Å; R591-S601 PolarHBondContact NH2-OG 3.03Å; V592-S601 CarbonylContact O-C 3.59Å; V592-S601 WeakPolarHBondContact O-CA 3.37Å; V592-S601 WeakPolarHBondContact O-CB 3.42Å
602S92.3Very high91.8Very high33 Ų3344 Ų4423%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-125.2161171.372.90000110.9P481 R591 V592P481-S602 WeakPolarHBondContact O-CB 3.23Å; P481-S602 PolarHBondContact O-OG 3.17Å; R591-S602 WeakPolarHBondContact CA-O 3.33Å; V592-S602 PolarHBondContact N-O 3.1Å; V592-S602 PolarHBondContact O-N 3.44Å
603T91.3Very high91.6Very high97 Ų9745.5 Ų45.560%0.59526%0.255SS*.EExtended strand (participates in β ladder)trans-117.7133.6175.353.10000110I522 V590 R591I522-T603 HydrophobicContact CD1-CG2 3.92Å; V590-T603 CarbonylContact O-C 3.53Å; V590-T603 WeakPolarHBondContact O-CA 3.15Å; R591-T603 HydrophobicContact CB-CG2 4.24Å
604T89.5Confident91.5Very high24 Ų2444.3 Ų44.315%0.14725%0.25CS..EExtended strand (participates in β ladder)trans-124163.2174.4-163.20000111.3I483 T589 V590 V606I483-T604 HydrophobicContact CD1-CG2 3.38Å; T589-T604 WeakPolarHBondContact CA-O 3.44Å; V590-T604 HydrophobicContact CB-CG2 4.12Å; V590-T604 PolarHBondContact N-O 2.95Å; V590-T604 PolarHBondContact O-N 2.86Å; T604-V606 HydrophobicContact CG2-CG2 4.35Å
605I91.4Very high91.2Very high79 Ų7948.7 Ų48.741%0.40527%0.274SS..EExtended strand (participates in β ladder)trans-110.4124.6175.1-64.3173000109.1E587 L588 L607E587-I605 HydrophobicContact CG-CG2 3.38Å; L588-I605 WeakPolarHBondContact O-CA 3.5Å; I605-L607 HydrophobicContact CG2-CD2 3.97Å; I605-L607 HydrophobicContact CG2-CG 4.48Å
606V92.7Very high91Very high0 Ų048.5 Ų48.50%027%0.274CS..EExtended strand (participates in β ladder)trans-108.3123.8172.7-178.50000108.9I487 F489 I504 I571 L588 V590 T604 I608I487-V606 HydrophobicContact CB-CG1 4.25Å; I487-V606 HydrophobicContact CB-CG2 4.19Å; I487-V606 HydrophobicContact CG2-CG1 3.96Å; I487-V606 HydrophobicContact CG2-CG2 4.47Å; I487-V606 WeakPolarHBondContact O-CA 3.45Å; F489-V606 HydrophobicContact CD2-CG1 3.7Å; F489-V606 HydrophobicContact CE2-CG1 3.75Å; I504-V606 HydrophobicContact CG2-CG2 4.05Å; I571-V606 HydrophobicContact CD1-CG1 3.97Å; L588-V606 HydrophobicContact CB-CB 4.21Å; L588-V606 PolarHBondContact N-O 2.87Å; L588-V606 PolarHBondContact O-N 3.01Å; V590-V606 HydrophobicContact CG2-CG2 4.01Å; T604-V606 HydrophobicContact CG2-CG2 4.35Å; V606-I608 HydrophobicContact CG1-CG1 4.49Å
607L92.9Very high91Very high20 Ų2052.1 Ų52.111%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-97130.7176.6-62.7-175.4000110.3K486 I487 E488 F489 L585 Y586 E587 I605K486-L607 VanDerWaalsContact NZ-CD1 3.33Å; I487-L607 PolarHBondContact O-N 2.82Å; E488-L607 CarbonylContact C-O 3.57Å; E488-L607 VanDerWaalsContact CA-O 3.27Å; E488-L607 WeakPolarHBondContact CA-O 3.48Å; E488-L607 HydrophobicContact CG-CB 4.22Å; F489-L607 PolarHBondContact N-O 2.9Å; L585-L607 HydrophobicContact CD1-CB 4.06Å; L585-L607 HydrophobicContact CD1-CD2 4.34Å; L585-L607 HydrophobicContact CD2-CD2 4.49Å; Y586-L607 CarbonylContact O-C 3.57Å; Y586-L607 WeakPolarHBondContact O-CA 3.42Å; E587-L607 HydrophobicContact CB-CD2 3.9Å; E587-L607 HydrophobicContact CG-CD2 3.85Å; I605-L607 HydrophobicContact CG2-CD2 3.97Å; I605-L607 HydrophobicContact CG2-CG 4.48Å
608I93.4Very high91.3Very high0 Ų046 Ų460%026%0.259CS..EExtended strand (participates in β ladder)trans-116.7105.7174.3-54.1-179.3000107.9F489 V491 F563 I571 Y586 L588 V606 I610F489-I608 HydrophobicContact CB-CG1 4.43Å; F489-I608 CarbonylContact O-C 3.57Å; F489-I608 WeakPolarHBondContact O-CA 3.09Å; V491-I608 HydrophobicContact CB-CG2 4.38Å; V491-I608 HydrophobicContact CG2-CG2 3.85Å; F563-I608 HydrophobicContact CD1-CD1 3.76Å; F563-I608 HydrophobicContact CD2-CD1 4.22Å; F563-I608 HydrophobicContact CE1-CD1 3.67Å; F563-I608 HydrophobicContact CE1-CG2 4.29Å; F563-I608 HydrophobicContact CE2-CD1 4.14Å; F563-I608 HydrophobicContact CG-CD1 4.03Å; F563-I608 HydrophobicContact CZ-CB 4.43Å; F563-I608 HydrophobicContact CZ-CD1 3.86Å; F563-I608 HydrophobicContact CZ-CG2 4.12Å; I571-I608 HydrophobicContact CG2-CD1 4.22Å; Y586-I608 PolarHBondContact N-O 2.83Å; Y586-I608 PolarHBondContact O-N 3.39Å; L588-I608 HydrophobicContact CD1-CD1 3.74Å; L588-I608 HydrophobicContact CD1-CG1 4.09Å; L588-I608 HydrophobicContact CD2-CD1 3.85Å; L588-I608 HydrophobicContact CG-CD1 4.48Å; V606-I608 HydrophobicContact CG1-CG1 4.49Å; I608-I610 HydrophobicContact CG2-CD1 4.02Å
609H90.3Very high91.2Very high48 Ų4847.6 Ų47.622%0.22226%0.257CS..EExtended strand (participates in β ladder)trans-83.5126.3174.9-67-93.8000109.4F489 Y490 V491F489-H609 PolarHBondContact O-N 2.97Å; Y490-H609 WeakPolarHBondContact CA-O 3.1Å; Y490-H609 HydrophobicContact CD1-CB 3.53Å; Y490-H609 HydrophobicContact CE1-CB 3.73Å; Y490-H609 AromaticContact CE1-CD2 3.91Å; Y490-H609 AromaticContact CE1-CG 3.7Å; Y490-H609 HydrophobicContact CG-CB 4.24Å; Y490-H609 AromaticContact CZ-CD2 3.95Å; V491-H609 PolarHBondContact N-O 2.79Å
610I91.8Very high91.1Very high11 Ų1144.1 Ų44.16%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-88.2122.5175.3-49.3-49.5000108.3V491 E493 L578 R580 Y583 P584 Y586 I608V491-I610 CarbonylContact O-C 3.58Å; V491-I610 VanDerWaalsContact O-CA 3.31Å; V491-I610 WeakPolarHBondContact O-CA 3.18Å; E493-I610 HydrophobicContact CB-CG2 3.64Å; L578-I610 HydrophobicContact CB-CG2 4.47Å; L578-I610 HydrophobicContact CD1-CD1 4.07Å; L578-I610 HydrophobicContact CD2-CD1 4.09Å; R580-I610 HydrophobicContact CB-CB 4.38Å; R580-I610 HydrophobicContact CB-CG2 3.78Å; R580-I610 HydrophobicContact CG-CB 4.13Å; R580-I610 HydrophobicContact CG-CG2 4Å; Y583-I610 WeakPolarHBondContact O-CG1 3.37Å; P584-I610 PolarHBondContact O-N 3.11Å; Y586-I610 HydrophobicContact CD2-CD1 3.93Å; Y586-I610 HydrophobicContact CD2-CG1 3.93Å; Y586-I610 HydrophobicContact CE2-CD1 4.01Å; Y586-I610 HydrophobicContact CE2-CG1 3.79Å; I608-I610 HydrophobicContact CG2-CD1 4.02Å
611L89.8Confident90.8Very high73 Ų7345.8 Ų45.838%0.38225%0.251SS..EExtended strand (participates in β ladder)trans-87.7135176.1-62.6-180000109.6Y490 V491 L492 E493Y490-L611 HydrophobicContact CD1-CD2 4.06Å; V491-L611 PolarHBondContact O-N 3.27Å; L492-L611 HydrophobicContact CD2-CB 3.81Å; L492-L611 HydrophobicContact CD2-CD1 4.37Å; L492-L611 HydrophobicContact CG-CB 4.4Å; E493-L611 PolarHBondContact N-O 2.04Å; E493-L611 VanDerWaalsContact N-O 3.1Å
612D89.2Confident90.6Very high29 Ų2945.4 Ų45.416%0.15524%0.243CC..PPolyproline II helixtrans-64.6130.8179.7-163.574.6000112.3R580 S652 N655R580-D612 VanDerWaalsContact CD-CB 3.47Å; R580-D612 WeakPolarHBondContact CD-OD1 3.37Å; R580-D612 IonicContact CZ-OD1 3.95Å; R580-D612 VanDerWaalsContact CZ-OD1 3.26Å; R580-D612 IonicContact NE-OD1 3.82Å; R580-D612 PolarHBondContact NE-OD1 2.57Å; R580-D612 IonicContact NH2-OD1 3.89Å; D612-S652 VanDerWaalsContact CG-N 3.32Å; D612-S652 PolarHBondContact OD1-N 3.43Å; D612-S652 VanDerWaalsContact OD1-N 3.15Å; D612-S652 PolarHBondContact OD2-N 3.15Å; D612-N655 VanDerWaalsContact OD2-CB 3.26Å; D612-N655 WeakPolarHBondContact OD2-CB 3.22Å; D612-N655 PolarHBondContact OD2-ND2 2.91Å
613V90.3Very high90.4Very high31 Ų3143.9 Ų43.919%0.18823%0.232CC..  trans-112.9140167.6178.30000107L492 E493 N494 D615L492-V613 HydrophobicContact CB-CG2 4.1Å; L492-V613 HydrophobicContact CD2-CG2 3.92Å; E493-V613 HydrophobicContact CG-CB 4Å; E493-V613 HydrophobicContact CG-CG2 3.94Å; E493-V613 WeakPolarHBondContact OE1-CA 3.1Å; E493-V613 VanDerWaalsContact OE1-CB 3.25Å; E493-V613 WeakPolarHBondContact OE1-CB 3.2Å; E493-V613 PolarHBondContact OE1-N 2.85Å; E493-V613 VanDerWaalsContact OE1-O 3.09Å; N494-V613 HydrophobicContact CB-CG2 4.24Å; V613-D615 VanDerWaalsContact C-N 3.26Å; V613-D615 PolarHBondContact O-N 2.86Å
614N90.2Very high90.2Very high14 Ų1441.2 Ų41.28%0.07522%0.218CC..SBendtrans-70.883176.6-165.747.4000110.4D651 N655 D761 G763 P765 L767N614-D651 WeakPolarHBondContact CA-OD2 3.19Å; N614-D651 PolarHBondContact OD1-OD2 3.42Å; N614-N655 HydrophobicContact CB-CB 4.11Å; N614-D761 VanDerWaalsContact ND2-CG 3.34Å; N614-D761 PolarHBondContact ND2-OD1 3.42Å; N614-G763 WeakPolarHBondContact ND2-CA 3.44Å; N614-P765 PolarHBondContact ND2-O 3.03Å; N614-L767 PolarHBondContact ND2-N 2.86Å; N614-L767 WeakPolarHBondContact O-CD1 3.45Å
615D89Confident89.6Confident91 Ų9148.5 Ų48.549%0.48725%0.254SS..  trans-120.4-10.1-176.985.8-14.3000113.5V613 D651V613-D615 VanDerWaalsContact C-N 3.26Å; V613-D615 PolarHBondContact O-N 2.86Å; D615-D651 PolarHBondContact N-OD2 3.11Å
616N88.5Confident89Confident51 Ų5148.5 Ų48.527%0.27327%0.274SS..SBendtrans-97132.6171.5-65.1-77.4000110.7E581 V650 D651 L767E581-N616 PolarHBondContact OE2-ND2 2.83Å; N616-V650 HydrophobicContact CB-CG2 3.44Å; N616-V650 VanDerWaalsContact CB-CG2 3.44Å; N616-D651 VanDerWaalsContact CB-OD1 3.26Å; N616-D651 WeakPolarHBondContact CB-OD1 3.15Å; N616-D651 PolarHBondContact N-OD2 2.93Å; N616-D651 PolarHBondContact ND2-OD1 3.35Å; N616-L767 VanDerWaalsContact O-CD1 3.27Å; N616-L767 WeakPolarHBondContact O-CD1 3.12Å
617T89.9Confident88.7Confident78 Ų7852.8 Ų52.848%0.47930%0.296SS..PPolyproline II helixtrans-85.5134.1177.6-55.40000110Q619 L767 K768T617-Q619 PolarHBondContact O-N 2.95Å; T617-L767 HydrophobicContact CG2-CB 4.33Å; T617-K768 WeakPolarHBondContact CG2-O 3.26Å
618P93.4Very high88.5Confident1 Ų153.8 Ų53.81%0.00630%0.302CS..PPolyproline II helixtrans-49.1132.9175.2-29.328.8000113.2D649 L658 V759 D761 S769P618-D649 VanDerWaalsContact CA-OD2 3.3Å; P618-D649 WeakPolarHBondContact CA-OD2 3.45Å; P618-D649 WeakPolarHBondContact CD-OD2 3.29Å; P618-D649 WeakPolarHBondContact CG-OD2 3.28Å; P618-L658 HydrophobicContact CB-CD2 3.72Å; P618-L658 HydrophobicContact CG-CD2 3.75Å; P618-V759 HydrophobicContact CB-CG1 3.68Å; P618-V759 HydrophobicContact CB-CG2 4.19Å; P618-D761 WeakPolarHBondContact CD-OD2 2.98Å; P618-D761 HydrophobicContact CG-CB 3.89Å; P618-D761 WeakPolarHBondContact CG-OD2 3.38Å; P618-S769 WeakPolarHBondContact O-CB 3.16Å
619Q89.4Confident88.3Confident133 Ų13356 Ų5662%0.62132%0.315SS*.EExtended strand (participates in β ladder)trans-112.6122.8-178.2-169179.327.300112.3T617 I621 A647 I648T617-Q619 PolarHBondContact O-N 2.95Å; Q619-I621 PolarHBondContact O-N 2.89Å; Q619-A647 CarbonylContact O-C 3.6Å; Q619-A647 WeakPolarHBondContact O-CA 3.35Å; Q619-A647 WeakPolarHBondContact O-CB 3.27Å; Q619-I648 PolarHBondContact N-O 3.01Å; Q619-I648 PolarHBondContact O-N 2.85Å
620F91Very high88.2Confident20 Ų2054.8 Ų54.89%0.08831%0.311CS..EExtended strand (participates in β ladder)trans-67.6121.5170.7-75.9-76000112L645 A647 Y660 V757 V759 T771F620-L645 HydrophobicContact CE1-CB 4.34Å; F620-A647 HydrophobicContact CD1-CB 4Å; F620-A647 HydrophobicContact CE1-CB 4.4Å; F620-A647 HydrophobicContact CG-CB 4.38Å; F620-Y660 HydrophobicContact CE1-CD1 4.21Å; F620-Y660 HydrophobicContact CE1-CE1 4.14Å; F620-V757 HydrophobicContact CE1-CG2 4.33Å; F620-V757 HydrophobicContact CZ-CG2 4.05Å; F620-V759 HydrophobicContact CD1-CG1 4.49Å; F620-V759 HydrophobicContact CD2-CG1 3.91Å; F620-V759 HydrophobicContact CE1-CB 4Å; F620-V759 HydrophobicContact CE1-CG1 4.06Å; F620-V759 HydrophobicContact CE2-CB 4.03Å; F620-V759 HydrophobicContact CE2-CG1 3.44Å; F620-V759 VanDerWaalsContact CE2-CG1 3.44Å; F620-V759 HydrophobicContact CG-CG1 4.43Å; F620-V759 HydrophobicContact CZ-CB 3.57Å; F620-V759 HydrophobicContact CZ-CG1 3.52Å; F620-T771 HydrophobicContact CB-CG2 4.31Å; F620-T771 HydrophobicContact CD1-CG2 4.17Å; F620-T771 HydrophobicContact CD2-CG2 3.52Å; F620-T771 HydrophobicContact CE1-CG2 4.35Å; F620-T771 HydrophobicContact CE2-CG2 3.7Å; F620-T771 HydrophobicContact CG-CG2 3.76Å; F620-T771 HydrophobicContact CZ-CG2 4.12Å
621I88.5Confident87.8Confident80 Ų8061.5 Ų61.541%0.4134%0.337SS..EExtended strand (participates in β ladder)trans-79.7-40.6163.2-61.1179.3000109.6Q619 S624 H646 I648Q619-I621 PolarHBondContact O-N 2.89Å; I621-S624 WeakPolarHBondContact O-CB 3.45Å; I621-H646 WeakPolarHBondContact CA-O 3.39Å; I621-H646 PolarHBondContact N-O 3.14Å; I621-I648 HydrophobicContact CD1-CB 4.29Å; I621-I648 HydrophobicContact CD1-CD1 4.07Å; I621-I648 HydrophobicContact CD1-CG1 3.95Å; I621-I648 HydrophobicContact CD1-CG2 3.46Å; I621-I648 VanDerWaalsContact CD1-CG2 3.46Å; I621-I648 HydrophobicContact CG1-CD1 4.35Å; I621-I648 HydrophobicContact CG1-CG1 4.03Å; I621-I648 HydrophobicContact CG1-CG2 4.32Å
622F88.5Confident87.5Confident40 Ų4058.3 Ų58.318%0.17532%0.321CS..EExtended strand (participates in β ladder)trans-144.4130.7170.6177.2-92.1000109.5N627 V630 A643 R644 H646 L773F622-N627 WeakPolarHBondContact CD2-O 3.28Å; F622-N627 WeakPolarHBondContact CE2-O 3.24Å; F622-V630 HydrophobicContact CZ-CG2 3.92Å; F622-A643 HydrophobicContact CE1-CB 4.04Å; F622-A643 HydrophobicContact CZ-CB 4.48Å; F622-R644 WeakPolarHBondContact CD1-O 3.42Å; F622-H646 PolarHBondContact N-O 3.14Å; F622-H646 PolarHBondContact O-N 3.32Å; F622-H646 VanDerWaalsContact O-O 3.13Å; F622-L773 HydrophobicContact CE1-CD1 4.37Å; F622-L773 HydrophobicContact CZ-CD1 4.16Å
623P87.3Confident87.1Confident1 Ų160.2 Ų60.21%0.00633%0.334CS..SBendcis-70.5130.3-0.4-15.229.3000111.9N627 N628 L645 V757 T771 L773P623-N627 WeakPolarHBondContact CA-O 3.35Å; P623-N628 HydrophobicContact CB-CB 3.83Å; P623-L645 HydrophobicContact CG-CD2 3.89Å; P623-V757 HydrophobicContact CG-CG2 4.18Å; P623-T771 HydrophobicContact CB-CG2 3.96Å; P623-T771 HydrophobicContact CG-CG2 3.91Å; P623-L773 HydrophobicContact CG-CB 3.86Å; P623-L773 HydrophobicContact CG-CD1 4Å; P623-L773 HydrophobicContact CG-CG 4.47Å
624S86.4Confident86.4Confident42 Ų4260.9 Ų60.929%0.29434%0.335SS..BIsolated β-bridgetrans-101.8165.6174.160.10000110.8I621 G626 N627I621-S624 WeakPolarHBondContact O-CB 3.45Å; S624-G626 PolarHBondContact O-N 3.21Å; S624-N627 PolarHBondContact N-O 3.04Å; S624-N627 CarbonylContact O-C 3.3Å; S624-N627 PolarHBondContact O-N 2.77Å; S624-N627 PolarHBondContact OG-N 2.93Å
625I78.6Confident85.6Confident177 Ų17765.8 Ų65.891%0.90836%0.358SS*.THydrogen-bonded Turntrans-53.3-29.4176.4-70.3163.1000112.1
626G78.2Confident85.2Confident79 Ų7962.3 Ų62.381%0.81434%0.34SS*.THydrogen-bonded Turntrans-96.7-13.4179.100000115.8S624S624-G626 PolarHBondContact O-N 3.21Å
627N85.6Confident84.8Confident89 Ų8967.7 Ų67.748%0.47636%0.36SS..BIsolated β-bridgetrans-147.695.9-178.7-175.510.1000110.2F622 P623 S624F622-N627 WeakPolarHBondContact CD2-O 3.28Å; F622-N627 WeakPolarHBondContact CE2-O 3.24Å; P623-N627 WeakPolarHBondContact CA-O 3.35Å; S624-N627 PolarHBondContact N-O 3.04Å; S624-N627 CarbonylContact O-C 3.3Å; S624-N627 PolarHBondContact O-N 2.77Å; S624-N627 PolarHBondContact OG-N 2.93Å
628N89.5Confident84.5Confident41 Ų4167.3 Ų67.322%0.21936%0.359CS..  trans-139.49.5-175.172.4-10000115.1P623 I772 R774P623-N628 HydrophobicContact CB-CB 3.83Å; N628-I772 WeakPolarHBondContact CB-O 3.36Å; N628-R774 PolarHBondContact O-N 3.34Å
629T87.9Confident84Confident46 Ų4670 Ų7028%0.28239%0.387SS..EExtended strand (participates in β ladder)trans-116.9129.1-177.3-56.40000110.5Y631 R774T629-Y631 HydrophobicContact CG2-CE2 4.14Å; T629-R774 CarbonylContact C-O 3.6Å; T629-R774 VanDerWaalsContact CA-O 3.25Å; T629-R774 WeakPolarHBondContact CA-O 3.17Å; T629-R774 HydrophobicContact CG2-CB 4.19Å
630V88.6Confident84Confident24 Ų2466.4 Ų66.415%0.14537%0.374CS..EExtended strand (participates in β ladder)trans-118.2129.1178178.70000108.5F622 V632 I642 A643 L773 R774 I775 L776F622-V630 HydrophobicContact CZ-CG2 3.92Å; V630-V632 HydrophobicContact CG1-CG2 4.12Å; V630-I642 HydrophobicContact CG1-CG2 3.85Å; V630-A643 HydrophobicContact CG1-CB 4.49Å; V630-A643 HydrophobicContact CG2-CB 3.84Å; V630-L773 HydrophobicContact CG2-CD1 3.77Å; V630-R774 PolarHBondContact N-O 3.2Å; V630-I775 CarbonylContact O-C 3.45Å; V630-I775 WeakPolarHBondContact O-CA 3.47Å; V630-L776 PolarHBondContact O-N 3.45Å
631Y84.6Confident83.8Confident151 Ų15171.2 Ų71.259%0.59239%0.393SS*.EExtended strand (participates in β ladder)trans-97.1126178.4-63.4-88.6000109.9T629 L776 T778T629-Y631 HydrophobicContact CG2-CE2 4.14Å; Y631-L776 CarbonylContact C-O 3.35Å; Y631-L776 WeakPolarHBondContact CA-O 3.43Å; Y631-L776 HydrophobicContact CD1-CB 3.9Å; Y631-L776 HydrophobicContact CD1-CD2 3.96Å; Y631-L776 HydrophobicContact CE1-CB 4.12Å; Y631-L776 HydrophobicContact CE1-CD2 3.6Å; Y631-L776 HydrophobicContact CE1-CG 4.49Å; Y631-T778 HydrophobicContact CD1-CG2 3.68Å; Y631-T778 HydrophobicContact CG-CG2 4.32Å
632V83.6Confident83.8Confident6 Ų668.3 Ų68.34%0.03638%0.378CS..EExtended strand (participates in β ladder)trans-123.8123.8-175.3-179.20000108.7V630 K634 T636 I642 I775 L776 F777 T778V630-V632 HydrophobicContact CG1-CG2 4.12Å; V632-K634 PolarHBondContact O-N 3.39Å; V632-T636 HydrophobicContact CG1-CG2 4Å; V632-T636 VanDerWaalsContact CG1-OG1 3.29Å; V632-T636 WeakPolarHBondContact CG1-OG1 3.45Å; V632-I642 HydrophobicContact CB-CD1 4.32Å; V632-I642 HydrophobicContact CG1-CD1 3.64Å; V632-I642 HydrophobicContact CG2-CD1 3.65Å; V632-I642 HydrophobicContact CG2-CG2 3.69Å; V632-I775 HydrophobicContact CB-CG2 4.33Å; V632-I775 HydrophobicContact CG2-CG2 3.65Å; V632-L776 PolarHBondContact N-O 2.78Å; V632-F777 HydrophobicContact CB-CD1 3.86Å; V632-F777 HydrophobicContact CB-CE1 3.91Å; V632-F777 HydrophobicContact CG1-CD1 3.78Å; V632-F777 HydrophobicContact CG1-CE1 3.5Å; V632-F777 HydrophobicContact CG1-CZ 4.4Å; V632-F777 CarbonylContact O-C 3.58Å; V632-F777 WeakPolarHBondContact O-CA 3.14Å; V632-T778 PolarHBondContact O-N 3.49Å
633P80Confident83.9Confident69 Ų6966.7 Ų66.745%0.44837%0.372SS..EExtended strand (participates in β ladder)trans-56.9138.4175.1-25.534.7000111.8E635 T636P633-E635 PolarHBondContact O-N 3.29Å; P633-T636 WeakPolarHBondContact O-CB 3.4Å; P633-T636 PolarHBondContact O-N 2.94Å; P633-T636 PolarHBondContact O-OG1 3.33Å
634K74.8Confident84Confident45 Ų4572.8 Ų72.820%0.19640%0.395CS..THydrogen-bonded Turntrans-56.1-36-178.7-164.7-158.7174.7-144.90113V632 T636 L689 D690 M751 T778V632-K634 PolarHBondContact O-N 3.39Å; K634-T636 PolarHBondContact O-N 3.2Å; K634-T636 VanDerWaalsContact O-N 3.17Å; K634-L689 HydrophobicContact CG-CD1 4.23Å; K634-D690 WeakPolarHBondContact CE-OD1 3.33Å; K634-D690 IonicContact NZ-OD1 3.58Å; K634-D690 PolarHBondContact NZ-OD1 3.17Å; K634-D690 IonicContact NZ-OD2 3.85Å; K634-M751 HydrophobicContact CB-CE 4.33Å; K634-M751 HydrophobicContact CD-CE 3.67Å; K634-M751 HydrophobicContact CG-CE 3.87Å; K634-T778 PolarHBondContact N-O 2.78Å
635E74Confident84.3Confident118 Ų11870.8 Ų70.855%0.55138%0.381SS*.THydrogen-bonded Turntrans-76.69.2-179.9-45.4-63.7155.100113.7P633 K637 P780P633-E635 PolarHBondContact O-N 3.29Å; E635-K637 PolarHBondContact O-N 2.85Å; E635-P780 HydrophobicContact CG-CB 4.19Å
636T80.9Confident84.9Confident18 Ų1866.9 Ų66.911%0.1136%0.359CS..PPolyproline II helixtrans-63.1125.8-176.7-63.10000110.1V632 P633 K634 T640 L685V632-T636 HydrophobicContact CG1-CG2 4Å; V632-T636 VanDerWaalsContact CG1-OG1 3.29Å; V632-T636 WeakPolarHBondContact CG1-OG1 3.45Å; P633-T636 WeakPolarHBondContact O-CB 3.4Å; P633-T636 PolarHBondContact O-N 2.94Å; P633-T636 PolarHBondContact O-OG1 3.33Å; K634-T636 PolarHBondContact O-N 3.2Å; K634-T636 VanDerWaalsContact O-N 3.17Å; T636-T640 HydrophobicContact CG2-CG2 3.62Å; T636-T640 WeakPolarHBondContact CG2-OG1 3.08Å; T636-L685 HydrophobicContact CG2-CD2 3.8Å; T636-L685 WeakPolarHBondContact O-CD2 3.05Å
637K80.4Confident85.5Confident163 Ų16363.4 Ų63.471%0.70932%0.323SS*.PPolyproline II helixtrans-70.1145.9-176.4-65.6-178.7-179.4178.70111E635 T640E635-K637 PolarHBondContact O-N 2.85Å; K637-T640 VanDerWaalsContact O-CB 3.3Å; K637-T640 WeakPolarHBondContact O-CB 3.11Å; K637-T640 PolarHBondContact O-N 3.16Å; K637-T640 PolarHBondContact O-OG1 3.03Å
638P83.9Confident85.7Confident70 Ų7062.7 Ų62.746%0.45532%0.318SS..THydrogen-bonded Turntrans-51.5140.9165.6-23.332.9000111.2L685P638-L685 CarbonylContact C-O 3.56Å
639G83.3Confident85.8Confident58 Ų5861.9 Ų61.960%0.59831%0.314SS*.THydrogen-bonded Turntrans87.8-2.3-172.900000114.9L685G639-L685 PolarHBondContact N-O 3.15Å
640T87.8Confident85.7Confident57 Ų5763.5 Ų63.535%0.3532%0.323SS..  trans-78.1133179.9-51.10000111.4T636 K637 L685T636-T640 HydrophobicContact CG2-CG2 3.62Å; T636-T640 WeakPolarHBondContact CG2-OG1 3.08Å; K637-T640 VanDerWaalsContact O-CB 3.3Å; K637-T640 WeakPolarHBondContact O-CB 3.11Å; K637-T640 PolarHBondContact O-N 3.16Å; K637-T640 PolarHBondContact O-OG1 3.03Å; T640-L685 PolarHBondContact O-N 2.84Å
641Y88.4Confident85.8Confident122 Ų12262.7 Ų62.748%0.47832%0.318SS..EExtended strand (participates in β ladder)trans-62.7132.9171.2170.7-94000111.7A643 R644 D682Y641-A643 VanDerWaalsContact CZ-C 3.5Å; Y641-A643 VanDerWaalsContact OH-C 3.31Å; Y641-R644 HydrophobicContact CE2-CB 4.23Å; Y641-R644 WeakPolarHBondContact OH-CB 3.26Å; Y641-R644 PolarHBondContact OH-N 2.84Å; Y641-D682 HydrophobicContact CD2-CB 4.36Å; Y641-D682 HydrophobicContact CE2-CB 4.27Å; Y641-D682 WeakPolarHBondContact CE2-OD1 3.23Å
642I87.6Confident85.8Confident18 Ų1857.3 Ų57.39%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-106.8-54.9-176.6-56.9-66.5000111.1V630 V632 V683 L685 I775V630-I642 HydrophobicContact CG1-CG2 3.85Å; V632-I642 HydrophobicContact CB-CD1 4.32Å; V632-I642 HydrophobicContact CG1-CD1 3.64Å; V632-I642 HydrophobicContact CG2-CD1 3.65Å; V632-I642 HydrophobicContact CG2-CG2 3.69Å; I642-V683 WeakPolarHBondContact CA-O 3.16Å; I642-V683 HydrophobicContact CB-CB 4.4Å; I642-V683 HydrophobicContact CB-CG1 4.24Å; I642-V683 VanDerWaalsContact CB-O 3.3Å; I642-V683 WeakPolarHBondContact CB-O 3.43Å; I642-V683 PolarHBondContact N-O 3.06Å; I642-L685 HydrophobicContact CD1-CB 3.96Å; I642-L685 HydrophobicContact CG1-CB 4.15Å; I642-I775 HydrophobicContact CG2-CD1 4.04Å; I642-I775 HydrophobicContact CG2-CG1 4.37Å; I642-I775 HydrophobicContact CG2-CG2 4.4Å
643A89.7Confident85.9Confident7 Ų760.9 Ų60.96%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-165.4162.2179.200000110.6F622 V630 Y641 V683F622-A643 HydrophobicContact CE1-CB 4.04Å; F622-A643 HydrophobicContact CZ-CB 4.48Å; V630-A643 HydrophobicContact CG1-CB 4.49Å; V630-A643 HydrophobicContact CG2-CB 3.84Å; Y641-A643 VanDerWaalsContact CZ-C 3.5Å; Y641-A643 VanDerWaalsContact OH-C 3.31Å; A643-V683 PolarHBondContact N-O 3.2Å; A643-V683 WeakPolarHBondContact O-CB 3.1Å; A643-V683 PolarHBondContact O-N 2.85Å
644R90.6Very high86.2Confident128 Ų12862.8 Ų62.848%0.48334%0.336SS..EExtended strand (participates in β ladder)trans-111.8120.9173176.1168.8-66.8164.62.2109.3F622 Y641 T680 G681 D682F622-R644 WeakPolarHBondContact CD1-O 3.42Å; Y641-R644 HydrophobicContact CE2-CB 4.23Å; Y641-R644 WeakPolarHBondContact OH-CB 3.26Å; Y641-R644 PolarHBondContact OH-N 2.84Å; R644-T680 WeakPolarHBondContact CD-O 3.36Å; R644-T680 WeakPolarHBondContact CG-O 3.35Å; R644-G681 CarbonylContact C-O 3.37Å; R644-G681 WeakPolarHBondContact CA-O 3.43Å; R644-D682 WeakPolarHBondContact CB-OD1 3.49Å; R644-D682 IonicContact CZ-OD1 2.72Å; R644-D682 IonicContact CZ-OD2 3.77Å; R644-D682 IonicContact NE-OD1 3.93Å; R644-D682 PolarHBondContact NE-OD1 2.95Å; R644-D682 IonicContact NE-OD2 3.84Å; R644-D682 VanDerWaalsContact NH2-CG 3.26Å; R644-D682 IonicContact NH2-OD1 3.39Å; R644-D682 PolarHBondContact NH2-OD1 3.46Å; R644-D682 IonicContact NH2-OD2 2.8Å; R644-D682 PolarHBondContact NH2-OD2 2.92Å
645L92.5Very high86.8Confident1 Ų162 Ų621%0.00533%0.333CS..  trans-66.5138.1167-50.7-178.9000108.6F620 P623 Y660 L676 G681 V683 V757 L773F620-L645 HydrophobicContact CE1-CB 4.34Å; P623-L645 HydrophobicContact CG-CD2 3.89Å; L645-Y660 HydrophobicContact CB-CD1 3.78Å; L645-Y660 HydrophobicContact CB-CE1 3.82Å; L645-Y660 HydrophobicContact CD1-CD1 4.01Å; L645-L676 HydrophobicContact CD1-CD1 3.66Å; L645-L676 HydrophobicContact CD1-CD2 3.91Å; L645-L676 HydrophobicContact CD1-CG 4.48Å; L645-L676 HydrophobicContact CG-CD1 4.14Å; L645-G681 WeakPolarHBondContact CG-O 3.32Å; L645-G681 PolarHBondContact N-O 3.05Å; L645-V683 HydrophobicContact CD2-CG2 4.28Å; L645-V683 HydrophobicContact CG-CG2 4.2Å; L645-V757 HydrophobicContact CD1-CB 3.76Å; L645-V757 HydrophobicContact CD1-CG1 3.85Å; L645-V757 HydrophobicContact CD1-CG2 4.22Å; L645-V757 HydrophobicContact CD2-CB 4.38Å; L645-V757 HydrophobicContact CD2-CG1 4.14Å; L645-V757 HydrophobicContact CD2-CG2 4.12Å; L645-L773 HydrophobicContact CD2-CD2 4.2Å
646H90.7Very high87.5Confident95 Ų9558.4 Ų58.444%0.4432%0.321SS..EExtended strand (participates in β ladder)trans-136.2117.2178.2-174.7-155.1000108.8I621 F622I621-H646 WeakPolarHBondContact CA-O 3.39Å; I621-H646 PolarHBondContact N-O 3.14Å; F622-H646 PolarHBondContact N-O 3.14Å; F622-H646 PolarHBondContact O-N 3.32Å; F622-H646 VanDerWaalsContact O-O 3.13Å
647A91.9Very high87.9Confident6 Ų662.9 Ų62.95%0.0534%0.336CS..EExtended strand (participates in β ladder)trans-125.3157.8172.400000109.9Q619 F620 L658 Y660 V759Q619-A647 CarbonylContact O-C 3.6Å; Q619-A647 WeakPolarHBondContact O-CA 3.35Å; Q619-A647 WeakPolarHBondContact O-CB 3.27Å; F620-A647 HydrophobicContact CD1-CB 4Å; F620-A647 HydrophobicContact CE1-CB 4.4Å; F620-A647 HydrophobicContact CG-CB 4.38Å; A647-L658 VanDerWaalsContact C-CD1 3.45Å; A647-L658 HydrophobicContact CB-CD1 3.78Å; A647-L658 WeakPolarHBondContact O-CD1 3.13Å; A647-Y660 HydrophobicContact CB-CE1 4.02Å; A647-Y660 PolarHBondContact N-OH 2.74Å; A647-V759 HydrophobicContact CB-CB 4.22Å; A647-V759 HydrophobicContact CB-CG1 3.96Å; A647-V759 HydrophobicContact CB-CG2 3.92Å
648I89.5Confident88.5Confident74 Ų7456.4 Ų56.438%0.37931%0.309SS..EExtended strand (participates in β ladder)trans-125.5147173.453.3167.3000109Q619 I621Q619-I648 PolarHBondContact N-O 3.01Å; Q619-I648 PolarHBondContact O-N 2.85Å; I621-I648 HydrophobicContact CD1-CB 4.29Å; I621-I648 HydrophobicContact CD1-CD1 4.07Å; I621-I648 HydrophobicContact CD1-CG1 3.95Å; I621-I648 HydrophobicContact CD1-CG2 3.46Å; I621-I648 VanDerWaalsContact CD1-CG2 3.46Å; I621-I648 HydrophobicContact CG1-CD1 4.35Å; I621-I648 HydrophobicContact CG1-CG1 4.03Å; I621-I648 HydrophobicContact CG1-CG2 4.32Å
649D90.5Very high88.9Confident24 Ų2455.4 Ų55.413%0.12830%0.302CS..  trans-119.1145164.6-147.2-56.2000108.6P618 D651 L658P618-D649 VanDerWaalsContact CA-OD2 3.3Å; P618-D649 WeakPolarHBondContact CA-OD2 3.45Å; P618-D649 WeakPolarHBondContact CD-OD2 3.29Å; P618-D649 WeakPolarHBondContact CG-OD2 3.28Å; D649-D651 WeakPolarHBondContact OD1-CB 3.03Å; D649-D651 PolarHBondContact OD1-N 2.87Å; D649-L658 HydrophobicContact CB-CD2 4.04Å
650V86.5Confident89.4Confident80 Ų8053.7 Ų53.749%0.48528%0.278SS..SBendtrans-94.9-13.8178.5-65.60000112.4R580 E581 N616R580-V650 PolarHBondContact NH2-O 3.08Å; R580-V650 VanDerWaalsContact NH2-O 3.15Å; E581-V650 HydrophobicContact CG-CB 4.07Å; E581-V650 HydrophobicContact CG-CG2 3.88Å; N616-V650 HydrophobicContact CB-CG2 3.44Å; N616-V650 VanDerWaalsContact CB-CG2 3.44Å
651D90.4Very high89.5Confident6 Ų652 Ų523%0.03227%0.272CS..SBendtrans-62.8-175.6172.5-68.3-13.2000110.4N614 D615 N616 D649 N655 S656N614-D651 WeakPolarHBondContact CA-OD2 3.19Å; N614-D651 PolarHBondContact OD1-OD2 3.42Å; D615-D651 PolarHBondContact N-OD2 3.11Å; N616-D651 VanDerWaalsContact CB-OD1 3.26Å; N616-D651 WeakPolarHBondContact CB-OD1 3.15Å; N616-D651 PolarHBondContact N-OD2 2.93Å; N616-D651 PolarHBondContact ND2-OD1 3.35Å; D649-D651 WeakPolarHBondContact OD1-CB 3.03Å; D649-D651 PolarHBondContact OD1-N 2.87Å; D651-N655 HydrophobicContact CB-CB 3.66Å; D651-S656 VanDerWaalsContact O-CB 3.26Å; D651-S656 WeakPolarHBondContact O-CB 3.43Å
652S85.8Confident89.4Confident39 Ų3948.1 Ų48.127%0.27326%0.259SS..  trans-125.5159.1-176-79.70000115.2R580 D612 E654 N655 S656R580-S652 PolarHBondContact NH1-OG 3.28Å; R580-S652 PolarHBondContact NH2-OG 3.17Å; D612-S652 VanDerWaalsContact CG-N 3.32Å; D612-S652 PolarHBondContact OD1-N 3.43Å; D612-S652 VanDerWaalsContact OD1-N 3.15Å; D612-S652 PolarHBondContact OD2-N 3.15Å; S652-E654 PolarHBondContact O-N 3.41Å; S652-N655 WeakPolarHBondContact O-CB 3.36Å; S652-N655 PolarHBondContact O-N 2.82Å; S652-S656 PolarHBondContact O-N 3.4Å
653A84.4Confident89.1Confident81 Ų8153.2 Ų53.267%0.66928%0.28SS*.G310 helixtrans49.6-125.4178.900000111.9N655 S656 R657A653-N655 VanDerWaalsContact C-N 3.31Å; A653-N655 PolarHBondContact O-N 2.76Å; A653-S656 PolarHBondContact O-N 2.94Å; A653-S656 VanDerWaalsContact O-N 3.14Å; A653-S656 PolarHBondContact O-OG 3.46Å; A653-R657 PolarHBondContact O-N 3.43Å
654E86.7Confident88.2Confident108 Ų10857.1 Ų57.151%0.50531%0.305SS..G310 helixtrans-64.4-31.2179.8-68.9-59.1136.100113.1S652 S656 R657 N762S652-E654 PolarHBondContact O-N 3.41Å; E654-S656 PolarHBondContact O-N 3.16Å; E654-R657 WeakPolarHBondContact O-CB 3.25Å; E654-R657 PolarHBondContact O-N 3.14Å; E654-R657 VanDerWaalsContact OE2-CD 3.25Å; E654-R657 WeakPolarHBondContact OE2-CD 3.29Å; E654-N762 HydrophobicContact CB-CB 4.49Å; E654-N762 WeakPolarHBondContact O-CB 3.32Å; E654-N762 PolarHBondContact O-N 2.82Å; E654-N762 PolarHBondContact OE2-ND2 2.92Å
655N87.4Confident86.7Confident28 Ų2853.8 Ų53.815%0.1530%0.297CS..G310 helixtrans-66.4-25.2175.8-60.3-22.6000111.4D612 N614 D651 S652 A653 D761 G763D612-N655 VanDerWaalsContact OD2-CB 3.26Å; D612-N655 WeakPolarHBondContact OD2-CB 3.22Å; D612-N655 PolarHBondContact OD2-ND2 2.91Å; N614-N655 HydrophobicContact CB-CB 4.11Å; D651-N655 HydrophobicContact CB-CB 3.66Å; S652-N655 WeakPolarHBondContact O-CB 3.36Å; S652-N655 PolarHBondContact O-N 2.82Å; A653-N655 VanDerWaalsContact C-N 3.31Å; A653-N655 PolarHBondContact O-N 2.76Å; N655-D761 WeakPolarHBondContact O-CB 3.48Å; N655-G763 VanDerWaalsContact OD1-CA 3.27Å; N655-G763 WeakPolarHBondContact OD1-CA 3.28Å
656S87.9Confident84.9Confident43 Ų4357.8 Ų57.830%0.30134%0.339SS..G310 helixtrans-86.7-6.4172.276.30000115.2D651 S652 A653 E654 L658D651-S656 VanDerWaalsContact O-CB 3.26Å; D651-S656 WeakPolarHBondContact O-CB 3.43Å; S652-S656 PolarHBondContact O-N 3.4Å; A653-S656 PolarHBondContact O-N 2.94Å; A653-S656 VanDerWaalsContact O-N 3.14Å; A653-S656 PolarHBondContact O-OG 3.46Å; E654-S656 PolarHBondContact O-N 3.16Å; S656-L658 PolarHBondContact O-N 3.3Å
657R89.9Confident83.2Confident113 Ų11360 Ų6043%0.42635%0.349SS..  trans-84.1111-168.9-171.4174.2-166.3-68-2.3110.4A653 E654 D761 N762A653-R657 PolarHBondContact O-N 3.43Å; E654-R657 WeakPolarHBondContact O-CB 3.25Å; E654-R657 PolarHBondContact O-N 3.14Å; E654-R657 VanDerWaalsContact OE2-CD 3.25Å; E654-R657 WeakPolarHBondContact OE2-CD 3.29Å; R657-D761 CarbonylContact O-C 3.57Å; R657-D761 WeakPolarHBondContact O-CA 3.46Å; R657-N762 HydrophobicContact CB-CB 4.21Å; R657-N762 WeakPolarHBondContact CD-ND2 3.37Å; R657-N762 PolarHBondContact NH1-ND2 2.89Å; R657-N762 PolarHBondContact O-N 3.04Å
658L92.3Very high81.3Confident27 Ų2765.3 Ų65.314%0.14138%0.381CS..  trans-89.8139-171.5-57.1-179.4000113.2P618 A647 D649 S656 V759 D761P618-L658 HydrophobicContact CB-CD2 3.72Å; P618-L658 HydrophobicContact CG-CD2 3.75Å; A647-L658 VanDerWaalsContact C-CD1 3.45Å; A647-L658 HydrophobicContact CB-CD1 3.78Å; A647-L658 WeakPolarHBondContact O-CD1 3.13Å; D649-L658 HydrophobicContact CB-CD2 4.04Å; S656-L658 PolarHBondContact O-N 3.3Å; L658-V759 HydrophobicContact CB-CG2 3.86Å; L658-V759 HydrophobicContact CD1-CG2 4.18Å; L658-V759 HydrophobicContact CD2-CG2 3.9Å; L658-V759 HydrophobicContact CG-CG2 4.19Å; L658-D761 HydrophobicContact CD2-CB 4.45Å
659T92.6Very high80.1Confident49 Ų4964.8 Ų64.830%0.30138%0.379SS..EExtended strand (participates in β ladder)trans-121.6122.5168.9-58.30000109.7P678 V759 T760 N762T659-P678 WeakPolarHBondContact CA-O 3.38Å; T659-P678 HydrophobicContact CG2-CB 4.09Å; T659-V759 WeakPolarHBondContact O-CA 3.42Å; T659-T760 PolarHBondContact N-O 3.1Å; T659-T760 PolarHBondContact O-N 2.88Å; T659-N762 PolarHBondContact OG1-OD1 3.28Å
660Y94Very high78.9Confident21 Ų2164.3 Ų64.38%0.08238%0.376CS..EExtended strand (participates in β ladder)trans-89.2145.9177.9-59.2-84.4000111.6F620 L645 A647 P678 T758 V759F620-Y660 HydrophobicContact CE1-CD1 4.21Å; F620-Y660 HydrophobicContact CE1-CE1 4.14Å; L645-Y660 HydrophobicContact CB-CD1 3.78Å; L645-Y660 HydrophobicContact CB-CE1 3.82Å; L645-Y660 HydrophobicContact CD1-CD1 4.01Å; A647-Y660 HydrophobicContact CB-CE1 4.02Å; A647-Y660 PolarHBondContact N-OH 2.74Å; Y660-P678 PolarHBondContact N-O 3.05Å; Y660-P678 WeakPolarHBondContact O-CA 3.29Å; Y660-P678 WeakPolarHBondContact O-CB 3.2Å; Y660-T758 CarbonylContact C-O 3.5Å; Y660-T758 WeakPolarHBondContact CA-O 3.42Å; Y660-V759 HydrophobicContact CD1-CB 4.11Å; Y660-V759 HydrophobicContact CD1-CG2 4.07Å; Y660-V759 HydrophobicContact CE1-CB 4.23Å; Y660-V759 HydrophobicContact CE1-CG2 3.96Å
661G90.1Very high77.9Confident22 Ų2266.3 Ų66.323%0.22738%0.38CS..EExtended strand (participates in β ladder)trans-149.7161.1179.200000112.3L676 V757 T758G661-L676 VanDerWaalsContact C-CD2 3.46Å; G661-V757 CarbonylContact O-C 3.54Å; G661-V757 WeakPolarHBondContact O-CA 3.34Å; G661-T758 PolarHBondContact N-O 3.44Å; G661-T758 PolarHBondContact O-N 3.01Å; G661-T758 PolarHBondContact O-OG1 3.15Å
662I86.9Confident77Confident40 Ų4068.2 Ų68.221%0.20539%0.394CS..EExtended strand (participates in β ladder)trans-110.7120.9169.8-60.8169.7000107I670 L676 L755I662-I670 HydrophobicContact CG2-CG2 4.49Å; I662-L676 HydrophobicContact CD1-CB 3.63Å; I662-L676 HydrophobicContact CD1-CD2 4.31Å; I662-L676 HydrophobicContact CG1-CB 3.93Å; I662-L676 HydrophobicContact CG1-CD2 3.66Å; I662-L676 HydrophobicContact CG1-CG 4.46Å; I662-L755 HydrophobicContact CD1-CD2 3.88Å; I662-L755 HydrophobicContact CG1-CD2 4.48Å
663K80.7Confident76.7Confident125 Ų12566.4 Ų66.454%0.54338%0.381SS..  trans-69.1128.3172.6-169.2176-178.6179.70108.5N665 V756 T758K663-N665 PolarHBondContact O-N 2.74Å; K663-V756 HydrophobicContact CB-CB 4.18Å; K663-V756 HydrophobicContact CB-CG1 3.89Å; K663-V756 HydrophobicContact CD-CG1 4.3Å; K663-V756 PolarHBondContact N-O 2.81Å; K663-T758 HydrophobicContact CB-CG2 4.02Å
664P70.7Confident76.8Confident89 Ų8962.8 Ų62.858%0.57835%0.35SS*.  trans-63.8102.7173.6-1224.2000109
665N59.5Low76.8Confident58 Ų5862.8 Ų62.831%0.3135%0.35SS..  trans-73.3137.5156.9-72.2-17.4000105.6K663 H667 I670 V756K663-N665 PolarHBondContact O-N 2.74Å; N665-H667 CarbonylContact O-C 3.36Å; N665-H667 PolarHBondContact O-N 2.75Å; N665-I670 HydrophobicContact CB-CD1 4.29Å; N665-V756 VanDerWaalsContact ND2-CG2 3.35Å; N665-V756 WeakPolarHBondContact ND2-CG2 3.22Å
666G55.5Low76.9Confident86 Ų8662.5 Ų62.589%0.88735%0.349SS*.SBendtrans-55.58.1-172.500000117.8T668G666-T668 PolarHBondContact O-N 3.47Å
667H54.4Low77Confident141 Ų14163.2 Ų63.265%0.65335%0.349SS*.  trans-78.7102.6162.8-64.4-77.3000110.3N665 D669 I670N665-H667 CarbonylContact O-C 3.36Å; N665-H667 PolarHBondContact O-N 2.75Å; H667-D669 PolarHBondContact O-N 3.13Å; H667-I670 HydrophobicContact CB-CD1 4.07Å; H667-I670 HydrophobicContact CB-CG1 4.2Å; H667-I670 PolarHBondContact O-N 2.84Å
668T52.3Low77.1Confident118 Ų11860.9 Ų60.972%0.72435%0.349SS*.THydrogen-bonded Turntrans-52-22.3174.944.50000114.1G666 I670G666-T668 PolarHBondContact O-N 3.47Å; T668-I670 PolarHBondContact O-N 3.42Å
669D63.8Low77Confident62 Ų6264.1 Ų64.133%0.33237%0.369SS..Hα-helixtrans-78.4-17.5-172.5-72.820.2000114.3H667 S672 L673 R687 N692H667-D669 PolarHBondContact O-N 3.13Å; D669-S672 PolarHBondContact O-OG 3.05Å; D669-L673 WeakPolarHBondContact O-CB 3.46Å; D669-L673 PolarHBondContact O-N 3.4Å; D669-L673 VanDerWaalsContact O-N 3.13Å; D669-R687 IonicContact OD2-NH2 2.79Å; D669-N692 PolarHBondContact OD2-ND2 2.99Å
670I64.9Low76.8Confident15 Ų1564.4 Ų64.48%0.07737%0.371CS..Hα-helixtrans-73.7-42.7-175.9-61.1174.2000110.9I662 N665 H667 T668 S672 L673 F674 L755I662-I670 HydrophobicContact CG2-CG2 4.49Å; N665-I670 HydrophobicContact CB-CD1 4.29Å; H667-I670 HydrophobicContact CB-CD1 4.07Å; H667-I670 HydrophobicContact CB-CG1 4.2Å; H667-I670 PolarHBondContact O-N 2.84Å; T668-I670 PolarHBondContact O-N 3.42Å; I670-S672 VanDerWaalsContact C-N 3.28Å; I670-S672 PolarHBondContact O-N 2.71Å; I670-L673 PolarHBondContact O-N 3.37Å; I670-L673 VanDerWaalsContact O-N 3.11Å; I670-F674 HydrophobicContact CG2-CD2 4.31Å; I670-F674 PolarHBondContact O-N 3.16Å; I670-L755 HydrophobicContact CG2-CG 4.09Å
671Q66.6Low76.7Confident122 Ų12263.4 Ų63.457%0.5737%0.367SS*.Hα-helixtrans-69.9-24.9178.3-69.7-177.8-5.900113
672S71.1Confident76.7Confident46 Ų4663.4 Ų63.432%0.32236%0.362SS..Hα-helixtrans-80.4-23171.966.50000112.1D669 I670 R687D669-S672 PolarHBondContact O-OG 3.05Å; I670-S672 VanDerWaalsContact C-N 3.28Å; I670-S672 PolarHBondContact O-N 2.71Å; S672-R687 WeakPolarHBondContact O-CD 3.45Å; S672-R687 WeakPolarHBondContact O-CG 3.49Å; S672-R687 PolarHBondContact O-NE 2.62Å; S672-R687 PolarHBondContact OG-NE 2.81Å; S672-R687 VanDerWaalsContact OG-NE 3.12Å; S672-R687 PolarHBondContact OG-NH2 3.46Å
673L79.7Confident76.9Confident0 Ų061.5 Ų61.50%035%0.352CS..Hα-helixtrans-95.4-38.7-173.6-17063.8000114.5D669 I670 L685 K686 R687 L689 Y753D669-L673 WeakPolarHBondContact O-CB 3.46Å; D669-L673 PolarHBondContact O-N 3.4Å; D669-L673 VanDerWaalsContact O-N 3.13Å; I670-L673 PolarHBondContact O-N 3.37Å; I670-L673 VanDerWaalsContact O-N 3.11Å; L673-L685 HydrophobicContact CD1-CD1 3.84Å; L673-L685 HydrophobicContact CG-CD1 4.12Å; L673-K686 WeakPolarHBondContact O-CB 3.14Å; L673-K686 PolarHBondContact O-N 2.91Å; L673-R687 HydrophobicContact CD1-CG 3.56Å; L673-R687 WeakPolarHBondContact CD1-O 3.14Å; L673-L689 HydrophobicContact CD1-CD2 4.24Å; L673-L689 HydrophobicContact CD2-CD2 3.96Å; L673-Y753 HydrophobicContact CD2-CD1 3.95Å; L673-Y753 HydrophobicContact CD2-CD2 4.01Å; L673-Y753 HydrophobicContact CD2-CE1 3.51Å; L673-Y753 HydrophobicContact CD2-CE2 3.59Å; L673-Y753 HydrophobicContact CD2-CG 4.18Å
674F86.4Confident77.3Confident6 Ų658.1 Ų58.13%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-122.3138.3-178.5-58.4-76.5000111.2I670 V683 I684 L685 Y753 L755 I775 F777I670-F674 HydrophobicContact CG2-CD2 4.31Å; I670-F674 PolarHBondContact O-N 3.16Å; F674-V683 HydrophobicContact CB-CG1 4.39Å; F674-V683 HydrophobicContact CD1-CG1 4.18Å; F674-I684 WeakPolarHBondContact CA-O 3.13Å; F674-L685 HydrophobicContact CD1-CD1 4.31Å; F674-L685 HydrophobicContact CE1-CD1 3.94Å; F674-Y753 HydrophobicContact CE2-CD1 4.2Å; F674-Y753 HydrophobicContact CE2-CD2 4.27Å; F674-Y753 AromaticContact CE2-CG 3.82Å; F674-Y753 HydrophobicContact CE2-CG 3.82Å; F674-Y753 HydrophobicContact CZ-CD2 4.29Å; F674-Y753 HydrophobicContact CZ-CG 4.25Å; F674-L755 HydrophobicContact CB-CD2 4.03Å; F674-L755 HydrophobicContact CD2-CD1 3.94Å; F674-L755 HydrophobicContact CD2-CD2 4.03Å; F674-L755 HydrophobicContact CD2-CG 4.33Å; F674-L755 HydrophobicContact CE2-CD1 3.9Å; F674-L755 HydrophobicContact CG-CD2 4.04Å; F674-I775 HydrophobicContact CD1-CD1 3.78Å; F674-I775 HydrophobicContact CE1-CD1 3.38Å; F674-I775 HydrophobicContact CE1-CG2 4.14Å; F674-I775 HydrophobicContact CE2-CD1 4.16Å; F674-I775 HydrophobicContact CG-CD1 4.33Å; F674-I775 HydrophobicContact CZ-CB 4.2Å; F674-I775 HydrophobicContact CZ-CD1 3.58Å; F674-I775 HydrophobicContact CZ-CG1 4.48Å; F674-I775 HydrophobicContact CZ-CG2 4Å; F674-F777 HydrophobicContact CE1-CZ 4.23Å; F674-F777 AromaticContact CZ-CE2 3.89Å; F674-F777 HydrophobicContact CZ-CE2 3.89Å; F674-F777 HydrophobicContact CZ-CZ 4.03Å
675E85.9Confident78.1Confident107 Ų10754 Ų5450%0.531%0.312SS..EExtended strand (participates in β ladder)trans-108.8137.7169-173.2165.6171.200108.2V683 I684E675-V683 CarbonylContact O-C 3.58Å; E675-V683 WeakPolarHBondContact O-CA 3.41Å; E675-I684 PolarHBondContact N-O 2.81Å; E675-I684 PolarHBondContact O-N 3.35Å
676L90.2Very high79.1Confident23 Ų2356.7 Ų56.712%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-120.4124.7174.7170.767.9000107.8L645 G661 I662 P678 G681 D682 V683L645-L676 HydrophobicContact CD1-CD1 3.66Å; L645-L676 HydrophobicContact CD1-CD2 3.91Å; L645-L676 HydrophobicContact CD1-CG 4.48Å; L645-L676 HydrophobicContact CG-CD1 4.14Å; G661-L676 VanDerWaalsContact C-CD2 3.46Å; I662-L676 HydrophobicContact CD1-CB 3.63Å; I662-L676 HydrophobicContact CD1-CD2 4.31Å; I662-L676 HydrophobicContact CG1-CB 3.93Å; I662-L676 HydrophobicContact CG1-CD2 3.66Å; I662-L676 HydrophobicContact CG1-CG 4.46Å; L676-P678 WeakPolarHBondContact O-CD 3.24Å; L676-G681 WeakPolarHBondContact CD1-O 3.35Å; L676-D682 CarbonylContact C-O 3.5Å; L676-D682 VanDerWaalsContact CA-O 3.31Å; L676-D682 WeakPolarHBondContact CA-O 3.35Å; L676-V683 HydrophobicContact CD1-CG2 3.83Å
677D89.9Confident80.1Confident57 Ų5754.1 Ų54.131%0.30529%0.285SS..  trans-71118.1168.5-179-18000109.1V679 T680 G681 D682D677-V679 PolarHBondContact O-N 3.3Å; D677-V679 PolarHBondContact OD1-N 3.03Å; D677-T680 WeakPolarHBondContact CB-OG1 3.32Å; D677-T680 PolarHBondContact OD1-N 3.48Å; D677-T680 WeakPolarHBondContact OD2-CB 3.49Å; D677-T680 VanDerWaalsContact OD2-CG2 3.24Å; D677-T680 WeakPolarHBondContact OD2-CG2 3.47Å; D677-T680 PolarHBondContact OD2-OG1 3.05Å; D677-G681 WeakPolarHBondContact O-CA 3.35Å; D677-G681 PolarHBondContact O-N 3.49Å; D677-D682 HydrophobicContact CB-CB 4.25Å; D677-D682 PolarHBondContact N-O 3.29Å
678P91.7Very high80.9Confident64 Ų6448.5 Ų48.542%0.41626%0.261SS..THydrogen-bonded Turntrans-66.7-17.7-177.227.9-34.9000113.7T659 Y660 L676T659-P678 WeakPolarHBondContact CA-O 3.38Å; T659-P678 HydrophobicContact CG2-CB 4.09Å; Y660-P678 PolarHBondContact N-O 3.05Å; Y660-P678 WeakPolarHBondContact O-CA 3.29Å; Y660-P678 WeakPolarHBondContact O-CB 3.2Å; L676-P678 WeakPolarHBondContact O-CD 3.24Å
679V89.3Confident81.6Confident95 Ų9544.1 Ų44.158%0.57623%0.234SC*.THydrogen-bonded Turntrans-100-49-177.6-176.30000111.2D677D677-V679 PolarHBondContact O-N 3.3Å; D677-V679 PolarHBondContact OD1-N 3.03Å
680T89.7Confident81.4Confident55 Ų5544.7 Ų44.734%0.33724%0.237SC..THydrogen-bonded Turntrans-85.8-17.8-175.764.80000113.6R644 D677 D682R644-T680 WeakPolarHBondContact CD-O 3.36Å; R644-T680 WeakPolarHBondContact CG-O 3.35Å; D677-T680 WeakPolarHBondContact CB-OG1 3.32Å; D677-T680 PolarHBondContact OD1-N 3.48Å; D677-T680 WeakPolarHBondContact OD2-CB 3.49Å; D677-T680 VanDerWaalsContact OD2-CG2 3.24Å; D677-T680 WeakPolarHBondContact OD2-CG2 3.47Å; D677-T680 PolarHBondContact OD2-OG1 3.05Å; T680-D682 VanDerWaalsContact C-N 3.26Å; T680-D682 WeakPolarHBondContact OG1-CB 3.36Å; T680-D682 PolarHBondContact OG1-N 3.24Å; T680-D682 PolarHBondContact OG1-OD2 3.04Å
681G90.7Very high80.8Confident0 Ų048.2 Ų48.20%026%0.256CS..  trans76.910-173.700000113.7R644 L645 L676 D677 V683R644-G681 CarbonylContact C-O 3.37Å; R644-G681 WeakPolarHBondContact CA-O 3.43Å; L645-G681 WeakPolarHBondContact CG-O 3.32Å; L645-G681 PolarHBondContact N-O 3.05Å; L676-G681 WeakPolarHBondContact CD1-O 3.35Å; D677-G681 WeakPolarHBondContact O-CA 3.35Å; D677-G681 PolarHBondContact O-N 3.49Å; G681-V683 PolarHBondContact O-N 3.15Å
682D91.9Very high79.9Confident23 Ų2344.6 Ų44.612%0.12324%0.24CC..EExtended strand (participates in β ladder)trans-73.2120.7-178.7-74.5-16.5000112.3Y641 R644 L676 D677 T680Y641-D682 HydrophobicContact CD2-CB 4.36Å; Y641-D682 HydrophobicContact CE2-CB 4.27Å; Y641-D682 WeakPolarHBondContact CE2-OD1 3.23Å; R644-D682 WeakPolarHBondContact CB-OD1 3.49Å; R644-D682 IonicContact CZ-OD1 2.72Å; R644-D682 IonicContact CZ-OD2 3.77Å; R644-D682 IonicContact NE-OD1 3.93Å; R644-D682 PolarHBondContact NE-OD1 2.95Å; R644-D682 IonicContact NE-OD2 3.84Å; R644-D682 VanDerWaalsContact NH2-CG 3.26Å; R644-D682 IonicContact NH2-OD1 3.39Å; R644-D682 PolarHBondContact NH2-OD1 3.46Å; R644-D682 IonicContact NH2-OD2 2.8Å; R644-D682 PolarHBondContact NH2-OD2 2.92Å; L676-D682 CarbonylContact C-O 3.5Å; L676-D682 VanDerWaalsContact CA-O 3.31Å; L676-D682 WeakPolarHBondContact CA-O 3.35Å; D677-D682 HydrophobicContact CB-CB 4.25Å; D677-D682 PolarHBondContact N-O 3.29Å; T680-D682 VanDerWaalsContact C-N 3.26Å; T680-D682 WeakPolarHBondContact OG1-CB 3.36Å; T680-D682 PolarHBondContact OG1-N 3.24Å; T680-D682 PolarHBondContact OG1-OD2 3.04Å
683V90.7Very high78.3Confident0 Ų048.3 Ų48.30%025%0.254CS..EExtended strand (participates in β ladder)trans-92.1121.4171.3-176.30000108.4I642 A643 L645 F674 E675 L676 G681 L755 L773 I775I642-V683 WeakPolarHBondContact CA-O 3.16Å; I642-V683 HydrophobicContact CB-CB 4.4Å; I642-V683 HydrophobicContact CB-CG1 4.24Å; I642-V683 VanDerWaalsContact CB-O 3.3Å; I642-V683 WeakPolarHBondContact CB-O 3.43Å; I642-V683 PolarHBondContact N-O 3.06Å; A643-V683 PolarHBondContact N-O 3.2Å; A643-V683 WeakPolarHBondContact O-CB 3.1Å; A643-V683 PolarHBondContact O-N 2.85Å; L645-V683 HydrophobicContact CD2-CG2 4.28Å; L645-V683 HydrophobicContact CG-CG2 4.2Å; F674-V683 HydrophobicContact CB-CG1 4.39Å; F674-V683 HydrophobicContact CD1-CG1 4.18Å; E675-V683 CarbonylContact O-C 3.58Å; E675-V683 WeakPolarHBondContact O-CA 3.41Å; L676-V683 HydrophobicContact CD1-CG2 3.83Å; G681-V683 PolarHBondContact O-N 3.15Å; V683-L755 HydrophobicContact CG1-CD2 4.48Å; V683-L773 HydrophobicContact CG2-CD2 4.02Å; V683-I775 HydrophobicContact CG1-CD1 4.24Å
684I89.3Confident76.4Confident53 Ų5354.3 Ų54.327%0.27229%0.286SS..EExtended strand (participates in β ladder)trans-121.6141.6-177.9-59.4174.9000109.1F674 E675 K686F674-I684 WeakPolarHBondContact CA-O 3.13Å; E675-I684 PolarHBondContact N-O 2.81Å; E675-I684 PolarHBondContact O-N 3.35Å; I684-K686 PolarHBondContact O-N 2.88Å
685L86.4Confident74.3Confident2 Ų258 Ų581%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-75.6117.6172.7-175.567.1000110.2T636 P638 G639 T640 I642 L673 F674 R687 F777T636-L685 HydrophobicContact CG2-CD2 3.8Å; T636-L685 WeakPolarHBondContact O-CD2 3.05Å; P638-L685 CarbonylContact C-O 3.56Å; G639-L685 PolarHBondContact N-O 3.15Å; T640-L685 PolarHBondContact O-N 2.84Å; I642-L685 HydrophobicContact CD1-CB 3.96Å; I642-L685 HydrophobicContact CG1-CB 4.15Å; L673-L685 HydrophobicContact CD1-CD1 3.84Å; L673-L685 HydrophobicContact CG-CD1 4.12Å; F674-L685 HydrophobicContact CD1-CD1 4.31Å; F674-L685 HydrophobicContact CE1-CD1 3.94Å; L685-R687 WeakPolarHBondContact CD1-O 3.4Å; L685-R687 WeakPolarHBondContact CG-O 3.48Å; L685-F777 HydrophobicContact CD1-CE1 4.36Å; L685-F777 HydrophobicContact CD1-CZ 3.86Å; L685-F777 HydrophobicContact CD2-CE1 4.42Å
686K80.4Confident71.9Confident115 Ų11560 Ų6050%0.533%0.326SS..  trans-86.2-31.4-174.9-174.3171.7-178.4168.20114.1L673 I684L673-K686 WeakPolarHBondContact O-CB 3.14Å; L673-K686 PolarHBondContact O-N 2.91Å; I684-K686 PolarHBondContact O-N 2.88Å
687R78.1Confident69.3Low32 Ų3266.9 Ų66.912%0.12136%0.355CS..SBendtrans-142.9160.7-179.171.6-173.1177.1105.2-7.8111.3D669 S672 L673 L685 N692D669-R687 IonicContact OD2-NH2 2.79Å; S672-R687 WeakPolarHBondContact O-CD 3.45Å; S672-R687 WeakPolarHBondContact O-CG 3.49Å; S672-R687 PolarHBondContact O-NE 2.62Å; S672-R687 PolarHBondContact OG-NE 2.81Å; S672-R687 VanDerWaalsContact OG-NE 3.12Å; S672-R687 PolarHBondContact OG-NH2 3.46Å; L673-R687 HydrophobicContact CD1-CG 3.56Å; L673-R687 WeakPolarHBondContact CD1-O 3.14Å; L685-R687 WeakPolarHBondContact CD1-O 3.4Å; L685-R687 WeakPolarHBondContact CG-O 3.48Å; R687-N692 VanDerWaalsContact NH1-CG 3.28Å; R687-N692 PolarHBondContact NH1-OD1 3.47Å
688S69.8Low66.5Low23 Ų2370.9 Ų70.916%0.16138%0.375CS..  trans-75.4148.2174.2-175.30000109.5D690 D691S688-D690 PolarHBondContact O-N 2.68Å; S688-D690 PolarHBondContact OG-N 2.72Å; S688-D691 PolarHBondContact N-OD2 3.1Å; S688-D691 PolarHBondContact O-N 2.87Å
689L66.7Low63.5Low26 Ų2677.7 Ų77.714%0.13640%0.398CS..G310 helixtrans-64.7-28.1174.3-74.5162.5000112.3K634 L673 D691 Y753 F777K634-L689 HydrophobicContact CG-CD1 4.23Å; L673-L689 HydrophobicContact CD1-CD2 4.24Å; L673-L689 HydrophobicContact CD2-CD2 3.96Å; L689-D691 VanDerWaalsContact C-N 3.28Å; L689-D691 PolarHBondContact O-N 3.33Å; L689-Y753 HydrophobicContact CD2-CE2 3.66Å; L689-Y753 WeakPolarHBondContact CD2-OH 3.14Å; L689-F777 HydrophobicContact CD1-CB 3.93Å; L689-F777 HydrophobicContact CD1-CD1 3.37Å; L689-F777 HydrophobicContact CD1-CD2 3.61Å; L689-F777 HydrophobicContact CD1-CE1 3.59Å; L689-F777 HydrophobicContact CD1-CE2 3.81Å; L689-F777 HydrophobicContact CD1-CG 3.36Å; L689-F777 HydrophobicContact CD1-CZ 3.79Å; L689-F777 HydrophobicContact CD2-CD2 4.39Å; L689-F777 HydrophobicContact CD2-CE2 4.11Å; L689-F777 HydrophobicContact CD2-CZ 4.4Å; L689-F777 HydrophobicContact CG-CD2 4.5Å; L689-F777 HydrophobicContact CG-CE1 4.29Å; L689-F777 HydrophobicContact CG-CE2 4.28Å; L689-F777 HydrophobicContact CG-CZ 4.16Å
690D60.2Low60.7Low74 Ų7482.7 Ų82.740%0.39642%0.415SS..G310 helixtrans-73.9-17.8-176.9-67.4-33.4000112.9K634 S688 N692 M693K634-D690 WeakPolarHBondContact CE-OD1 3.33Å; K634-D690 IonicContact NZ-OD1 3.58Å; K634-D690 PolarHBondContact NZ-OD1 3.17Å; K634-D690 IonicContact NZ-OD2 3.85Å; S688-D690 PolarHBondContact O-N 2.68Å; S688-D690 PolarHBondContact OG-N 2.72Å; D690-N692 PolarHBondContact O-N 3.02Å; D690-N692 VanDerWaalsContact O-N 3.16Å; D690-M693 PolarHBondContact O-N 2.77Å; D690-M693 VanDerWaalsContact O-N 3.1Å
691D52.3Low57.7Low89 Ų8986.1 Ų86.148%0.47644%0.441SS..G310 helixtrans-67.4-15.7-179.9-68.5-31.8000113.5S688 L689 M693S688-D691 PolarHBondContact N-OD2 3.1Å; S688-D691 PolarHBondContact O-N 2.87Å; L689-D691 VanDerWaalsContact C-N 3.28Å; L689-D691 PolarHBondContact O-N 3.33Å; D691-M693 PolarHBondContact O-N 2.7Å
692N48Very low54.7Low47 Ų4789.3 Ų89.325%0.25147%0.474SS..G310 helixtrans-71.6-13.5173.5-100.48.6000113D669 R687 D690D669-N692 PolarHBondContact OD2-ND2 2.99Å; R687-N692 VanDerWaalsContact NH1-CG 3.28Å; R687-N692 PolarHBondContact NH1-OD1 3.47Å; D690-N692 PolarHBondContact O-N 3.02Å; D690-N692 VanDerWaalsContact O-N 3.16Å
693M38.1Very low51.5Low124 Ų12495.5 Ų95.561%0.61151%0.507SS*.G310 helixtrans-81.6-24.8177.9-90.9-136.570.900114.4D690 D691D690-M693 PolarHBondContact O-N 2.77Å; D690-M693 VanDerWaalsContact O-N 3.1Å; D691-M693 PolarHBondContact O-N 2.7Å
694D39.6Very low48.4Very low125 Ų125100.7 Ų100.767%0.66854%0.539SS*.THydrogen-bonded Turntrans-84.5-21.7-178.5-87-16.9000113.6
695S41.9Very low45.5Very low83 Ų83107 Ų10758%0.5856%0.564SS**SBendtrans-86.6-8.117746.70000114.5
696L35.8Very low42.7Very low151 Ų151114.6 Ų114.679%0.79161%0.605SS**SBendtrans-91.3-9.3172-78.9162.4000113.8
697K34.9Very low40.2Very low167 Ų167120.7 Ų120.773%0.72663%0.625SS**SBendtrans-92.80.6178-86.6-173.6177.21760115.4
698I31.4Very low37.8Very low140 Ų140126.5 Ų126.572%0.71866%0.658SS**SBendtrans-132.977.7-179.8-48.7177.5000109.5
699K29.4Very low35.8Very low207 Ų207130.5 Ų130.590%0.969%0.686SS**  trans-176.541.7149.3-99.9163.9-171-176.10111.9
700E30.5Very low34Very low200 Ų200136 Ų13694%0.93572%0.721SS**SBendtrans-112.874158-80.7-167.215900108.7
701S26.2Very low32.5Very low127 Ų127139.6 Ų139.689%0.88874%0.74SS**SBendtrans-178.7123.9151.3-171.70000109
702G26.6Very low31.3Very low68 Ų68143 Ų14370%0.70176%0.757SS**  trans120.482.5161.400000116.5
703N24.7Very low30.2Very low152 Ų152147.7 Ų147.781%0.81378%0.777SS**  trans67.9110.2139.6-81.3-19.1000122.3
704V26.9Very low29.7Very low109 Ų109146.6 Ų146.666%0.66178%0.781SS**  61.2112.7114.9-178.50000118.1
705K26.8Very low29Very low186 Ų186151 Ų15181%0.80979%0.788SS**  trans64.394.7151.2-67171.8-176.5-176.80116.7
706D29.2Very low28.3Very low162 Ų162152 Ų15287%0.86680%0.796SS**  180149.6110.2-96.1-23.9000112.4
707R26.9Very low27.9Very low243 Ų243153.5 Ų153.592%0.91780%0.802SS**  trans86.795167.3-64.8-174.4179.2174.10.4119.7
708N27.4Very low27.4Very low153 Ų153153.6 Ų153.682%0.81881%0.806SS**  trans-44.1155.2142-76.8-29.8000115.1
709S28.8Very low27.2Very low107 Ų107155.2 Ų155.275%0.74881%0.81SS**  trans7395.2146.963.70000119.7
710V29.1Very low27Very low142 Ų142154 Ų15486%0.86181%0.81SS**  -136.9113.2124.3-179.10000108.5
711N27.7Very low26.9Very low150 Ų150153.6 Ų153.680%0.80281%0.808SS**  trans-67124.5177.4-96.7-33000111.1
712I27.8Very low26.9Very low161 Ų161154.7 Ų154.783%0.82680%0.802SS**  trans-90.3104.2165.9-62.9172000106.7
713H24.9Very low26.8Very low145 Ų145158.4 Ų158.467%0.67181%0.806SS**  trans-95.696.9170.7-123.973.5000109.1
714S26.8Very low27.2Very low100 Ų100163.1 Ų163.170%0.69981%0.812SS**  trans-69.1126.5154.2530000109.4
715R25.2Very low27Very low217 Ų217169 Ų16982%0.81982%0.823SS**  trans-154.4146.5158.2-110.7177.4-171.7172.43112.2
716S27.5Very low27Very low106 Ų106167.2 Ų167.274%0.74182%0.822SS**  trans69.388.6169.468.40000118.7
717I26.7Very low26.9Very low182 Ų182168.1 Ų168.193%0.93382%0.821SS**  trans-115.3104.4132.2-63178.2000105.3
718Q25.4Very low26.9Very low169 Ų169161.1 Ų161.179%0.7981%0.809SS**  trans-120.5135.9171-117.5176-16.400106.5
719E27.1Very low26.8Very low174 Ų174159.6 Ų159.681%0.81381%0.805SS**  trans77.995.4161.6-59.1-178.1176.500119.2
720M24.4Very low26.8Very low182 Ų182162.2 Ų162.290%0.89781%0.811SS**  -161.8142.2106.1-124.8175-81.400112.1
721E28.1Very low26.7Very low190 Ų190161.8 Ų161.889%0.88881%0.809SS**  trans88110.5162.7-75.6175.6152.500122.2
722I26.8Very low26.7Very low150 Ų150161.5 Ų161.577%0.76981%0.806SS**  trans-93.6124.8167.5-67.1164.6000107.7
723N25.3Very low26.9Very low146 Ų146160.8 Ų160.878%0.78180%0.804SS**  trans155.9112132.1-88.5-40.2000111.9
724R32.3Very low27.2Very low251 Ų251161.5 Ų161.595%0.94781%0.805SS**  -174.3112.8115.3-98.1176.9-153.4-1637.7109.7
725R23.5Very low27.7Very low233 Ų233162.5 Ų162.588%0.87981%0.807SS**  trans-80.8154.6164.6-76.8178.7172.4142-2.6109.9
726N25.5Very low28.1Very low148 Ų148158.5 Ų158.579%0.79180%0.802SS**  trans92.798.9159.6-57.3-14.7000117.9
727Q26.9Very low28.6Very low181 Ų181160.3 Ų160.385%0.84680%0.797SS**  174.5111.1103.9-92.2178.4-0.900109
728S27.5Very low29.3Very low96 Ų96159.7 Ų159.767%0.67179%0.787SS**  81.3104.7113.5740000115.8
729T25.6Very low29.9Very low121 Ų121158.2 Ų158.274%0.74278%0.781SS**  trans30.8109.7136.659.20000118.2
730N28Very low30.4Very low163 Ų163155 Ų15587%0.87277%0.769SS**  -162.6106.4123-98.3-19.5000110.4
731T28.3Very low31.5Very low132 Ų132151.2 Ų151.281%0.8175%0.749SS**  trans-68.8122.4160.9-47.60000107.6
732I28.1Very low32.3Very low145 Ų145147.6 Ų147.674%0.74474%0.735SS**SBendtrans166.8122.8140.8-81.8153.3000108.2
733N30.3Very low32.9Very low145 Ų145145.5 Ų145.578%0.77572%0.723SS**  trans64.570.6162.5-59.3-9.3000119.4
734K31.2Very low33.8Very low160 Ų160143.4 Ų143.470%0.69671%0.712SS**  trans-122.767.3157-83.2-174.3177.1178.90111.1
735T38.3Very low34.5Very low122 Ų122137.2 Ų137.275%0.74869%0.692SS**SBendtrans-103.8-7.9164.4260000113.5
736N32.7Very low35.5Very low133 Ų133130 Ų13071%0.71167%0.671SS**SBendtrans-103.61.9173.3-76.7-4.7000115.2
737F38.1Very low36.4Very low144 Ų144129.6 Ų129.663%0.63266%0.659SS**Hα-helixtrans-90.2-24.5174.3-108.7-89000113.4Q739 E741F737-Q739 VanDerWaalsContact C-N 3.35Å; F737-Q739 PolarHBondContact O-N 3.12Å; F737-E741 WeakPolarHBondContact O-CB 3.46Å; F737-E741 PolarHBondContact O-N 2.8Å; F737-E741 VanDerWaalsContact O-N 3.11Å
738K41.4Very low37.3Very low169 Ų169128.2 Ų128.274%0.73565%0.652SS**Hα-helixtrans-73-24.7-179.4-77-173.1175.6-177.20113.6L742K738-L742 VanDerWaalsContact O-CB 3.24Å; K738-L742 WeakPolarHBondContact O-CB 3.39Å; K738-L742 PolarHBondContact O-N 3.21Å; K738-L742 VanDerWaalsContact O-N 3.1Å
739Q39.1Very low38.3Very low138 Ų138127.4 Ų127.465%0.64565%0.647SS**Hα-helixtrans-82.1-37.5-179.9-146.4169.84.200112.1F737 L742 M743F737-Q739 VanDerWaalsContact C-N 3.35Å; F737-Q739 PolarHBondContact O-N 3.12Å; Q739-L742 PolarHBondContact O-N 3.39Å; Q739-M743 VanDerWaalsContact O-CB 3.28Å; Q739-M743 WeakPolarHBondContact O-CB 3.37Å; Q739-M743 WeakPolarHBondContact O-CG 3.35Å; Q739-M743 PolarHBondContact O-N 2.9Å
740N36.1Very low39.8Very low107 Ų107126.4 Ų126.457%0.57263%0.634SS**Hα-helixtrans-73.4-31.8172.8-85.2-1.3000112.7N744N740-N744 WeakPolarHBondContact O-CB 3.23Å; N740-N744 VanDerWaalsContact O-CG 3.3Å; N740-N744 PolarHBondContact O-N 2.87Å
741E48.4Very low41.7Very low101 Ų101120.8 Ų120.847%0.47260%0.603SS.*Hα-helixtrans-73.8-33.1173.6-148-169.7148.400111.6F737 K745F737-E741 WeakPolarHBondContact O-CB 3.46Å; F737-E741 PolarHBondContact O-N 2.8Å; F737-E741 VanDerWaalsContact O-N 3.11Å; E741-K745 WeakPolarHBondContact O-CB 3.47Å; E741-K745 VanDerWaalsContact O-CG 3.23Å; E741-K745 WeakPolarHBondContact O-CG 3.16Å; E741-K745 PolarHBondContact O-N 2.81Å; E741-K745 IonicContact OE1-NZ 2.82Å; E741-K745 PolarHBondContact OE1-NZ 2.95Å
742L45.5Very low43.9Very low115 Ų115116.8 Ų116.860%0.60258%0.584SS**Hα-helixtrans-72.6-38.5172.4-15885000111.7K738 Q739 L746K738-L742 VanDerWaalsContact O-CB 3.24Å; K738-L742 WeakPolarHBondContact O-CB 3.39Å; K738-L742 PolarHBondContact O-N 3.21Å; K738-L742 VanDerWaalsContact O-N 3.1Å; Q739-L742 PolarHBondContact O-N 3.39Å; L742-L746 HydrophobicContact CG-CD1 4.31Å; L742-L746 VanDerWaalsContact O-CB 3.3Å; L742-L746 WeakPolarHBondContact O-CB 3.23Å; L742-L746 WeakPolarHBondContact O-CD1 3.3Å; L742-L746 PolarHBondContact O-N 2.89Å
743M39.7Very low46.4Very low105 Ų105111.4 Ų111.452%0.51755%0.554SS.*Hα-helixtrans-71.5-38.6174.8-85.2-67.2-172.700112.6Q739 L746 Y747Q739-M743 VanDerWaalsContact O-CB 3.28Å; Q739-M743 WeakPolarHBondContact O-CB 3.37Å; Q739-M743 WeakPolarHBondContact O-CG 3.35Å; Q739-M743 PolarHBondContact O-N 2.9Å; M743-L746 PolarHBondContact O-N 3.41Å; M743-Y747 VanDerWaalsContact O-CB 3.29Å; M743-Y747 WeakPolarHBondContact O-CB 3.25Å; M743-Y747 WeakPolarHBondContact O-CD2 3.14Å; M743-Y747 PolarHBondContact O-N 2.94Å
744N43.2Very low49Very low103 Ų103106.9 Ų106.955%0.55153%0.533SS*.Hα-helixtrans-71.8-35173.3-76.1-4.9000111.7N740 Y747 E748N740-N744 WeakPolarHBondContact O-CB 3.23Å; N740-N744 VanDerWaalsContact O-CG 3.3Å; N740-N744 PolarHBondContact O-N 2.87Å; N744-Y747 PolarHBondContact O-N 2.81Å; N744-E748 WeakPolarHBondContact O-CB 3.36Å; N744-E748 PolarHBondContact O-N 2.89Å
745K46.5Very low51.7Low120 Ų12099.3 Ų99.352%0.52250%0.501SS..Hα-helixtrans-68-34.9169.5-79.3171.8171157.20112.1E741 S749E741-K745 WeakPolarHBondContact O-CB 3.47Å; E741-K745 VanDerWaalsContact O-CG 3.23Å; E741-K745 WeakPolarHBondContact O-CG 3.16Å; E741-K745 PolarHBondContact O-N 2.81Å; E741-K745 IonicContact OE1-NZ 2.82Å; E741-K745 PolarHBondContact OE1-NZ 2.95Å; K745-S749 WeakPolarHBondContact O-CB 3.2Å; K745-S749 PolarHBondContact O-N 2.85Å; K745-S749 PolarHBondContact O-OG 2.84Å
746L44.8Very low54Low82 Ų8294.9 Ų94.943%0.42947%0.473SS..Hα-helixtrans-67-43.2170.8-110.886.4000111.3L742 M743 S749 Q750L742-L746 HydrophobicContact CG-CD1 4.31Å; L742-L746 VanDerWaalsContact O-CB 3.3Å; L742-L746 WeakPolarHBondContact O-CB 3.23Å; L742-L746 WeakPolarHBondContact O-CD1 3.3Å; L742-L746 PolarHBondContact O-N 2.89Å; M743-L746 PolarHBondContact O-N 3.41Å; L746-S749 WeakPolarHBondContact CA-OG 3.16Å; L746-S749 PolarHBondContact O-N 2.92Å; L746-S749 PolarHBondContact O-OG 2.89Å; L746-Q750 WeakPolarHBondContact O-CG 3.23Å; L746-Q750 PolarHBondContact O-N 2.91Å
747Y44.9Very low56.8Low140 Ų14088.5 Ų88.555%0.54944%0.439SS..Hα-helixtrans-66.5-43179-105.8-91.8000112.3M743 N744 S749 Q750M743-Y747 VanDerWaalsContact O-CB 3.29Å; M743-Y747 WeakPolarHBondContact O-CB 3.25Å; M743-Y747 WeakPolarHBondContact O-CD2 3.14Å; M743-Y747 PolarHBondContact O-N 2.94Å; N744-Y747 PolarHBondContact O-N 2.81Å; Y747-S749 VanDerWaalsContact C-N 3.34Å; Y747-Q750 PolarHBondContact O-N 2.97Å
748E46.3Very low59.4Low151 Ų15182.8 Ų82.871%0.70642%0.416SS*.Hα-helixtrans-67-34.6173-78.3-177.7165.500111.7N744 Q750 M751N744-E748 WeakPolarHBondContact O-CB 3.36Å; N744-E748 PolarHBondContact O-N 2.89Å; E748-Q750 PolarHBondContact O-N 3.11Å; E748-M751 PolarHBondContact O-N 3.43Å
749S48.6Very low61.9Low80 Ų8074.8 Ų74.856%0.55938%0.381SS*.Hα-helixtrans-68.7-18.1177.974.90000114.3K745 L746 Y747K745-S749 WeakPolarHBondContact O-CB 3.2Å; K745-S749 PolarHBondContact O-N 2.85Å; K745-S749 PolarHBondContact O-OG 2.84Å; L746-S749 WeakPolarHBondContact CA-OG 3.16Å; L746-S749 PolarHBondContact O-N 2.92Å; L746-S749 PolarHBondContact O-OG 2.89Å; Y747-S749 VanDerWaalsContact C-N 3.34Å
750Q56.3Low64.4Low99 Ų9970 Ų7046%0.46336%0.362SS..THydrogen-bonded Turntrans-98.6-5-177.9-73.7-178.4-13.200114.1L746 Y747 E748 Y753L746-Q750 WeakPolarHBondContact O-CG 3.23Å; L746-Q750 PolarHBondContact O-N 2.91Å; Y747-Q750 PolarHBondContact O-N 2.97Å; E748-Q750 PolarHBondContact O-N 3.11Å; Q750-Y753 WeakPolarHBondContact O-CE2 3.31Å
751M67.6Low67.1Low45 Ų4565 Ų6522%0.22234%0.335CS..SBendtrans-100-1.5-179.2-69.5-151.3143.500114.5K634 E748 L776 F777K634-M751 HydrophobicContact CB-CE 4.33Å; K634-M751 HydrophobicContact CD-CE 3.67Å; K634-M751 HydrophobicContact CG-CE 3.87Å; E748-M751 PolarHBondContact O-N 3.43Å; M751-L776 CarbonylContact O-C 3.49Å; M751-L776 WeakPolarHBondContact O-CA 3.33Å; M751-F777 PolarHBondContact O-N 2.95Å
752A73.9Confident69.1Low49 Ų4963.2 Ų63.241%0.40533%0.329SS..EExtended strand (participates in β ladder)trans-133.1118.4-177.100000111.2I775 L776A752-I775 WeakPolarHBondContact CA-O 3.41Å; A752-L776 HydrophobicContact CB-CD1 3.55Å
753Y82.4Confident71.1Confident32 Ų3258 Ų5813%0.12530%0.303CS..EExtended strand (participates in β ladder)trans-111.6133.6176.2-66.3-91000109.8L673 F674 L689 Q750 R774 I775 F777L673-Y753 HydrophobicContact CD2-CD1 3.95Å; L673-Y753 HydrophobicContact CD2-CD2 4.01Å; L673-Y753 HydrophobicContact CD2-CE1 3.51Å; L673-Y753 HydrophobicContact CD2-CE2 3.59Å; L673-Y753 HydrophobicContact CD2-CG 4.18Å; F674-Y753 HydrophobicContact CE2-CD1 4.2Å; F674-Y753 HydrophobicContact CE2-CD2 4.27Å; F674-Y753 AromaticContact CE2-CG 3.82Å; F674-Y753 HydrophobicContact CE2-CG 3.82Å; F674-Y753 HydrophobicContact CZ-CD2 4.29Å; F674-Y753 HydrophobicContact CZ-CG 4.25Å; L689-Y753 HydrophobicContact CD2-CE2 3.66Å; L689-Y753 WeakPolarHBondContact CD2-OH 3.14Å; Q750-Y753 WeakPolarHBondContact O-CE2 3.31Å; Y753-R774 CarbonylContact O-C 3.54Å; Y753-R774 WeakPolarHBondContact O-CA 3.48Å; Y753-I775 PolarHBondContact N-O 3.44Å; Y753-I775 PolarHBondContact O-N 2.92Å; Y753-F777 AromaticContact CD2-CD2 3.86Å; Y753-F777 HydrophobicContact CD2-CD2 3.86Å; Y753-F777 AromaticContact CD2-CE2 3.6Å; Y753-F777 HydrophobicContact CD2-CE2 3.6Å; Y753-F777 AromaticContact CE2-CD2 3.94Å; Y753-F777 HydrophobicContact CE2-CD2 3.94Å; Y753-F777 AromaticContact CE2-CE2 3.73Å; Y753-F777 HydrophobicContact CE2-CE2 3.73Å
754S84.2Confident73.2Confident49 Ų4962.1 Ų62.134%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-112.6107.3172.6-65.80000108.9
755L87Confident75.4Confident1 Ų161.6 Ų61.61%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-90.1123.1177.3-72.672.8000108.1I662 I670 F674 V683 V757 I772 L773 I775I662-L755 HydrophobicContact CD1-CD2 3.88Å; I662-L755 HydrophobicContact CG1-CD2 4.48Å; I670-L755 HydrophobicContact CG2-CG 4.09Å; F674-L755 HydrophobicContact CB-CD2 4.03Å; F674-L755 HydrophobicContact CD2-CD1 3.94Å; F674-L755 HydrophobicContact CD2-CD2 4.03Å; F674-L755 HydrophobicContact CD2-CG 4.33Å; F674-L755 HydrophobicContact CE2-CD1 3.9Å; F674-L755 HydrophobicContact CG-CD2 4.04Å; V683-L755 HydrophobicContact CG1-CD2 4.48Å; L755-V757 HydrophobicContact CB-CG1 4.05Å; L755-V757 PolarHBondContact O-N 2.58Å; L755-I772 CarbonylContact O-C 3.56Å; L755-I772 WeakPolarHBondContact O-CA 3.26Å; L755-L773 HydrophobicContact CB-CB 4.39Å; L755-L773 PolarHBondContact N-O 3.14Å; L755-L773 PolarHBondContact O-N 2.77Å; L755-I775 HydrophobicContact CD1-CD1 3.63Å; L755-I775 HydrophobicContact CD1-CG1 4.11Å; L755-I775 HydrophobicContact CD2-CD1 4.2Å
756V88.2Confident77.4Confident29 Ų2959.6 Ų59.618%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-81.6101.4166.1176.20000106.6K663 N665 T771 I772K663-V756 HydrophobicContact CB-CB 4.18Å; K663-V756 HydrophobicContact CB-CG1 3.89Å; K663-V756 HydrophobicContact CD-CG1 4.3Å; K663-V756 PolarHBondContact N-O 2.81Å; N665-V756 VanDerWaalsContact ND2-CG2 3.35Å; N665-V756 WeakPolarHBondContact ND2-CG2 3.22Å; V756-T771 WeakPolarHBondContact CA-O 3.34Å; V756-I772 HydrophobicContact CG2-CG1 4.33Å
757V91.2Very high79.7Confident0 Ų057.8 Ų57.80%031%0.313CS..EExtended strand (participates in β ladder)trans-93.5139.3178.9-620000109.1F620 P623 L645 G661 L755 S770 T771 L773F620-V757 HydrophobicContact CE1-CG2 4.33Å; F620-V757 HydrophobicContact CZ-CG2 4.05Å; P623-V757 HydrophobicContact CG-CG2 4.18Å; L645-V757 HydrophobicContact CD1-CB 3.76Å; L645-V757 HydrophobicContact CD1-CG1 3.85Å; L645-V757 HydrophobicContact CD1-CG2 4.22Å; L645-V757 HydrophobicContact CD2-CB 4.38Å; L645-V757 HydrophobicContact CD2-CG1 4.14Å; L645-V757 HydrophobicContact CD2-CG2 4.12Å; G661-V757 CarbonylContact O-C 3.54Å; G661-V757 WeakPolarHBondContact O-CA 3.34Å; L755-V757 HydrophobicContact CB-CG1 4.05Å; L755-V757 PolarHBondContact O-N 2.58Å; V757-S770 CarbonylContact O-C 3.56Å; V757-S770 VanDerWaalsContact O-CA 3.27Å; V757-S770 WeakPolarHBondContact O-CA 2.96Å; V757-T771 HydrophobicContact CG2-CG2 3.49Å; V757-T771 VanDerWaalsContact CG2-CG2 3.49Å; V757-T771 WeakPolarHBondContact CG2-O 3.2Å; V757-T771 PolarHBondContact N-O 3.21Å; V757-T771 PolarHBondContact O-N 2.98Å; V757-L773 HydrophobicContact CG1-CB 4.21Å
758T92.1Very high81.9Confident24 Ų2458 Ų5815%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-122.7137.3-177.761.90000108.8Y660 G661 K663 S769 S770Y660-T758 CarbonylContact C-O 3.5Å; Y660-T758 WeakPolarHBondContact CA-O 3.42Å; G661-T758 PolarHBondContact N-O 3.44Å; G661-T758 PolarHBondContact O-N 3.01Å; G661-T758 PolarHBondContact O-OG1 3.15Å; K663-T758 HydrophobicContact CB-CG2 4.02Å; T758-S769 CarbonylContact C-O 3.49Å; T758-S769 VanDerWaalsContact CA-O 3.3Å; T758-S769 WeakPolarHBondContact CA-O 3.48Å; T758-S770 VanDerWaalsContact CG2-OG 3.32Å; T758-S770 WeakPolarHBondContact CG2-OG 3.26Å
759V93.1Very high84.1Confident0 Ų052.5 Ų52.50%030%0.295CS..EExtended strand (participates in β ladder)trans-116.1134.5166.562.70000107.2P618 F620 A647 L658 T659 Y660 K768 S769P618-V759 HydrophobicContact CB-CG1 3.68Å; P618-V759 HydrophobicContact CB-CG2 4.19Å; F620-V759 HydrophobicContact CD1-CG1 4.49Å; F620-V759 HydrophobicContact CD2-CG1 3.91Å; F620-V759 HydrophobicContact CE1-CB 4Å; F620-V759 HydrophobicContact CE1-CG1 4.06Å; F620-V759 HydrophobicContact CE2-CB 4.03Å; F620-V759 HydrophobicContact CE2-CG1 3.44Å; F620-V759 VanDerWaalsContact CE2-CG1 3.44Å; F620-V759 HydrophobicContact CG-CG1 4.43Å; F620-V759 HydrophobicContact CZ-CB 3.57Å; F620-V759 HydrophobicContact CZ-CG1 3.52Å; A647-V759 HydrophobicContact CB-CB 4.22Å; A647-V759 HydrophobicContact CB-CG1 3.96Å; A647-V759 HydrophobicContact CB-CG2 3.92Å; L658-V759 HydrophobicContact CB-CG2 3.86Å; L658-V759 HydrophobicContact CD1-CG2 4.18Å; L658-V759 HydrophobicContact CD2-CG2 3.9Å; L658-V759 HydrophobicContact CG-CG2 4.19Å; T659-V759 WeakPolarHBondContact O-CA 3.42Å; Y660-V759 HydrophobicContact CD1-CB 4.11Å; Y660-V759 HydrophobicContact CD1-CG2 4.07Å; Y660-V759 HydrophobicContact CE1-CB 4.23Å; Y660-V759 HydrophobicContact CE1-CG2 3.96Å; V759-K768 CarbonylContact O-C 3.57Å; V759-K768 WeakPolarHBondContact O-CA 3.23Å; V759-K768 WeakPolarHBondContact O-CB 3.46Å; V759-S769 PolarHBondContact N-O 2.9Å; V759-S769 PolarHBondContact O-N 3.01Å
760T92.9Very high86.2Confident38 Ų3851.9 Ų51.923%0.23329%0.29CS..EExtended strand (participates in β ladder)trans-128.2131.7-179.4-44.60000107T659 P766 L767 K768T659-T760 PolarHBondContact N-O 3.1Å; T659-T760 PolarHBondContact O-N 2.88Å; T760-P766 HydrophobicContact CG2-CB 3.77Å; T760-L767 VanDerWaalsContact CA-O 3.31Å; T760-L767 WeakPolarHBondContact CA-O 3.08Å; T760-L767 WeakPolarHBondContact CG2-O 3.13Å; T760-K768 HydrophobicContact CG2-CB 4.1Å
761D92.9Very high87.8Confident2 Ų248.6 Ų48.61%0.01128%0.277CS..  trans-73174.5167.353.864000111.1N614 P618 N655 R657 L658 G763 P766 L767N614-D761 VanDerWaalsContact ND2-CG 3.34Å; N614-D761 PolarHBondContact ND2-OD1 3.42Å; P618-D761 WeakPolarHBondContact CD-OD2 2.98Å; P618-D761 HydrophobicContact CG-CB 3.89Å; P618-D761 WeakPolarHBondContact CG-OD2 3.38Å; N655-D761 WeakPolarHBondContact O-CB 3.48Å; R657-D761 CarbonylContact O-C 3.57Å; R657-D761 WeakPolarHBondContact O-CA 3.46Å; L658-D761 HydrophobicContact CD2-CB 4.45Å; D761-G763 PolarHBondContact OD1-N 2.82Å; D761-P766 VanDerWaalsContact OD1-CA 3.24Å; D761-P766 WeakPolarHBondContact OD1-CA 3.15Å; D761-L767 PolarHBondContact N-O 2.78Å; D761-L767 VanDerWaalsContact N-O 3.1Å; D761-L767 PolarHBondContact OD1-N 3.32Å; D761-L767 WeakPolarHBondContact OD2-CA 3.46Å; D761-L767 WeakPolarHBondContact OD2-CB 3.29Å; D761-L767 PolarHBondContact OD2-N 3.06Å
762N89.8Confident88.8Confident64 Ų6449.7 Ų49.734%0.34228%0.283SS..SBendtrans-98.915.6176-75.1-2000112.8E654 R657 T659E654-N762 HydrophobicContact CB-CB 4.49Å; E654-N762 WeakPolarHBondContact O-CB 3.32Å; E654-N762 PolarHBondContact O-N 2.82Å; E654-N762 PolarHBondContact OE2-ND2 2.92Å; R657-N762 HydrophobicContact CB-CB 4.21Å; R657-N762 WeakPolarHBondContact CD-ND2 3.37Å; R657-N762 PolarHBondContact NH1-ND2 2.89Å; R657-N762 PolarHBondContact O-N 3.04Å; T659-N762 PolarHBondContact OG1-OD1 3.28Å
763G86.8Confident89.6Confident6 Ų647.4 Ų47.46%0.06226%0.264CS..SBendtrans-73.6172.3179.200000113.4N614 N655 D761 P765 P766N614-G763 WeakPolarHBondContact ND2-CA 3.44Å; N655-G763 VanDerWaalsContact OD1-CA 3.27Å; N655-G763 WeakPolarHBondContact OD1-CA 3.28Å; D761-G763 PolarHBondContact OD1-N 2.82Å; G763-P765 CarbonylContact O-C 3.42Å; G763-P765 VanDerWaalsContact O-C 3.25Å; G763-P766 WeakPolarHBondContact O-CA 3.37Å; G763-P766 WeakPolarHBondContact O-CB 3.23Å; G763-P766 WeakPolarHBondContact O-CD 3.17Å
764E84.4Confident89.8Confident191 Ų19151.8 Ų51.889%0.89328%0.281SS*.SBendtrans-125.7106178-165.7171.7-172.800110.8
765P89Confident90Very high92 Ų9249.5 Ų49.560%0.59727%0.265SS*.SBendcis-74.3149.90.932.8-35000112.1N614 G763 L767N614-P765 PolarHBondContact ND2-O 3.03Å; G763-P765 CarbonylContact O-C 3.42Å; G763-P765 VanDerWaalsContact O-C 3.25Å; P765-L767 PolarHBondContact O-N 3.13Å
766P89.9Confident89.7Confident77 Ų7752.6 Ų52.650%0.528%0.281SS..PPolyproline II helixtrans-71.6129.7179.926.5-33.2000110.5T760 D761 G763T760-P766 HydrophobicContact CG2-CB 3.77Å; D761-P766 VanDerWaalsContact OD1-CA 3.24Å; D761-P766 WeakPolarHBondContact OD1-CA 3.15Å; G763-P766 WeakPolarHBondContact O-CA 3.37Å; G763-P766 WeakPolarHBondContact O-CB 3.23Å; G763-P766 WeakPolarHBondContact O-CD 3.17Å
767L92.8Very high89.4Confident45 Ų4551.4 Ų51.424%0.23627%0.273CS..PPolyproline II helixtrans-90.4153.8172.4-53.8171.2000108.8N614 N616 T617 T760 D761 P765N614-L767 PolarHBondContact ND2-N 2.86Å; N614-L767 WeakPolarHBondContact O-CD1 3.45Å; N616-L767 VanDerWaalsContact O-CD1 3.27Å; N616-L767 WeakPolarHBondContact O-CD1 3.12Å; T617-L767 HydrophobicContact CG2-CB 4.33Å; T760-L767 VanDerWaalsContact CA-O 3.31Å; T760-L767 WeakPolarHBondContact CA-O 3.08Å; T760-L767 WeakPolarHBondContact CG2-O 3.13Å; D761-L767 PolarHBondContact N-O 2.78Å; D761-L767 VanDerWaalsContact N-O 3.1Å; D761-L767 PolarHBondContact OD1-N 3.32Å; D761-L767 WeakPolarHBondContact OD2-CA 3.46Å; D761-L767 WeakPolarHBondContact OD2-CB 3.29Å; D761-L767 PolarHBondContact OD2-N 3.06Å; P765-L767 PolarHBondContact O-N 3.13Å
768K91.5Very high88.4Confident144 Ų14452.9 Ų52.963%0.62628%0.282SS*.EExtended strand (participates in β ladder)trans-147.7144.5-177.368.2-171.9177-164.90112.4T617 V759 T760T617-K768 WeakPolarHBondContact CG2-O 3.26Å; V759-K768 CarbonylContact O-C 3.57Å; V759-K768 WeakPolarHBondContact O-CA 3.23Å; V759-K768 WeakPolarHBondContact O-CB 3.46Å; T760-K768 HydrophobicContact CG2-CB 4.1Å
769S92Very high87Confident35 Ų3555.6 Ų55.625%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-118.1152.3170.8-174.70000110.2P618 T758 V759P618-S769 WeakPolarHBondContact O-CB 3.16Å; T758-S769 CarbonylContact C-O 3.49Å; T758-S769 VanDerWaalsContact CA-O 3.3Å; T758-S769 WeakPolarHBondContact CA-O 3.48Å; V759-S769 PolarHBondContact N-O 2.9Å; V759-S769 PolarHBondContact O-N 3.01Å
770S91.4Very high84.9Confident67 Ų6758.6 Ų58.647%0.46932%0.32SS..EExtended strand (participates in β ladder)trans-137.2135.4-179.6-57.70000110.1V757 T758V757-S770 CarbonylContact O-C 3.56Å; V757-S770 VanDerWaalsContact O-CA 3.27Å; V757-S770 WeakPolarHBondContact O-CA 2.96Å; T758-S770 VanDerWaalsContact CG2-OG 3.32Å; T758-S770 WeakPolarHBondContact CG2-OG 3.26Å
771T90.8Very high82.6Confident30 Ų3065.6 Ų65.618%0.18435%0.347CS..EExtended strand (participates in β ladder)trans-138.8174.4176.4-169.10000110.2F620 P623 V756 V757F620-T771 HydrophobicContact CB-CG2 4.31Å; F620-T771 HydrophobicContact CD1-CG2 4.17Å; F620-T771 HydrophobicContact CD2-CG2 3.52Å; F620-T771 HydrophobicContact CE1-CG2 4.35Å; F620-T771 HydrophobicContact CE2-CG2 3.7Å; F620-T771 HydrophobicContact CG-CG2 3.76Å; F620-T771 HydrophobicContact CZ-CG2 4.12Å; P623-T771 HydrophobicContact CB-CG2 3.96Å; P623-T771 HydrophobicContact CG-CG2 3.91Å; V756-T771 WeakPolarHBondContact CA-O 3.34Å; V757-T771 HydrophobicContact CG2-CG2 3.49Å; V757-T771 VanDerWaalsContact CG2-CG2 3.49Å; V757-T771 WeakPolarHBondContact CG2-O 3.2Å; V757-T771 PolarHBondContact N-O 3.21Å; V757-T771 PolarHBondContact O-N 2.98Å
772I88.9Confident79.8Confident69 Ų6975.6 Ų75.635%0.35439%0.386SS..EExtended strand (participates in β ladder)trans-111.4119.2-178.9-60.2173.6000109.1N628 L755 V756 R774N628-I772 WeakPolarHBondContact CB-O 3.36Å; L755-I772 CarbonylContact O-C 3.56Å; L755-I772 WeakPolarHBondContact O-CA 3.26Å; V756-I772 HydrophobicContact CG2-CG1 4.33Å; I772-R774 HydrophobicContact CG2-CG 4.1Å
773L90Very high77.3Confident0 Ų078 Ų780%041%0.406CS..EExtended strand (participates in β ladder)trans-92.2120.6164.9176.866.2000108.8F622 P623 V630 L645 V683 L755 V757 I775F622-L773 HydrophobicContact CE1-CD1 4.37Å; F622-L773 HydrophobicContact CZ-CD1 4.16Å; P623-L773 HydrophobicContact CG-CB 3.86Å; P623-L773 HydrophobicContact CG-CD1 4Å; P623-L773 HydrophobicContact CG-CG 4.47Å; V630-L773 HydrophobicContact CG2-CD1 3.77Å; L645-L773 HydrophobicContact CD2-CD2 4.2Å; V683-L773 HydrophobicContact CG2-CD2 4.02Å; L755-L773 HydrophobicContact CB-CB 4.39Å; L755-L773 PolarHBondContact N-O 3.14Å; L755-L773 PolarHBondContact O-N 2.77Å; V757-L773 HydrophobicContact CG1-CB 4.21Å; L773-I775 HydrophobicContact CD2-CD1 4.16Å; L773-I775 HydrophobicContact CD2-CG1 4.2Å; L773-I775 HydrophobicContact CG-CG1 4.12Å
774R87.6Confident74.8Confident125 Ų12583.8 Ų83.847%0.47244%0.442SS..EExtended strand (participates in β ladder)trans-95.8123.4174-64.5-178.7179.6-121.10.2109.2N628 T629 V630 Y753 I772N628-R774 PolarHBondContact O-N 3.34Å; T629-R774 CarbonylContact C-O 3.6Å; T629-R774 VanDerWaalsContact CA-O 3.25Å; T629-R774 WeakPolarHBondContact CA-O 3.17Å; T629-R774 HydrophobicContact CG2-CB 4.19Å; V630-R774 PolarHBondContact N-O 3.2Å; Y753-R774 CarbonylContact O-C 3.54Å; Y753-R774 WeakPolarHBondContact O-CA 3.48Å; I772-R774 HydrophobicContact CG2-CG 4.1Å
775I86.8Confident72.3Confident1 Ų180 Ų801%0.00544%0.436CS..EExtended strand (participates in β ladder)trans-111116.2175.4-58.4175.1000107.1V630 V632 I642 F674 V683 A752 Y753 L755 L773 F777V630-I775 CarbonylContact O-C 3.45Å; V630-I775 WeakPolarHBondContact O-CA 3.47Å; V632-I775 HydrophobicContact CB-CG2 4.33Å; V632-I775 HydrophobicContact CG2-CG2 3.65Å; I642-I775 HydrophobicContact CG2-CD1 4.04Å; I642-I775 HydrophobicContact CG2-CG1 4.37Å; I642-I775 HydrophobicContact CG2-CG2 4.4Å; F674-I775 HydrophobicContact CD1-CD1 3.78Å; F674-I775 HydrophobicContact CE1-CD1 3.38Å; F674-I775 HydrophobicContact CE1-CG2 4.14Å; F674-I775 HydrophobicContact CE2-CD1 4.16Å; F674-I775 HydrophobicContact CG-CD1 4.33Å; F674-I775 HydrophobicContact CZ-CB 4.2Å; F674-I775 HydrophobicContact CZ-CD1 3.58Å; F674-I775 HydrophobicContact CZ-CG1 4.48Å; F674-I775 HydrophobicContact CZ-CG2 4Å; V683-I775 HydrophobicContact CG1-CD1 4.24Å; A752-I775 WeakPolarHBondContact CA-O 3.41Å; Y753-I775 PolarHBondContact N-O 3.44Å; Y753-I775 PolarHBondContact O-N 2.92Å; L755-I775 HydrophobicContact CD1-CD1 3.63Å; L755-I775 HydrophobicContact CD1-CG1 4.11Å; L755-I775 HydrophobicContact CD2-CD1 4.2Å; L773-I775 HydrophobicContact CD2-CD1 4.16Å; L773-I775 HydrophobicContact CD2-CG1 4.2Å; L773-I775 HydrophobicContact CG-CG1 4.12Å; I775-F777 HydrophobicContact CG2-CD2 4.46Å; I775-F777 HydrophobicContact CG2-CE2 4.09Å; I775-F777 HydrophobicContact CG2-CZ 4.4Å
776L82.5Confident69.5Low65 Ų6583.8 Ų83.834%0.3445%0.452SS..EExtended strand (participates in β ladder)trans-108.7116.8-179.9-147.588.1000109.5V630 Y631 V632 M751 A752 T778V630-L776 PolarHBondContact O-N 3.45Å; Y631-L776 CarbonylContact C-O 3.35Å; Y631-L776 WeakPolarHBondContact CA-O 3.43Å; Y631-L776 HydrophobicContact CD1-CB 3.9Å; Y631-L776 HydrophobicContact CD1-CD2 3.96Å; Y631-L776 HydrophobicContact CE1-CB 4.12Å; Y631-L776 HydrophobicContact CE1-CD2 3.6Å; Y631-L776 HydrophobicContact CE1-CG 4.49Å; V632-L776 PolarHBondContact N-O 2.78Å; M751-L776 CarbonylContact O-C 3.49Å; M751-L776 WeakPolarHBondContact O-CA 3.33Å; A752-L776 HydrophobicContact CB-CD1 3.55Å; L776-T778 PolarHBondContact O-N 2.93Å
777F80.2Confident66.8Low4 Ų485.6 Ų85.62%0.01847%0.466CS..EExtended strand (participates in β ladder)trans-80.5116.5175.5-73-87.8000110.7V632 F674 L685 L689 M751 Y753 I775V632-F777 HydrophobicContact CB-CD1 3.86Å; V632-F777 HydrophobicContact CB-CE1 3.91Å; V632-F777 HydrophobicContact CG1-CD1 3.78Å; V632-F777 HydrophobicContact CG1-CE1 3.5Å; V632-F777 HydrophobicContact CG1-CZ 4.4Å; V632-F777 CarbonylContact O-C 3.58Å; V632-F777 WeakPolarHBondContact O-CA 3.14Å; F674-F777 HydrophobicContact CE1-CZ 4.23Å; F674-F777 AromaticContact CZ-CE2 3.89Å; F674-F777 HydrophobicContact CZ-CE2 3.89Å; F674-F777 HydrophobicContact CZ-CZ 4.03Å; L685-F777 HydrophobicContact CD1-CE1 4.36Å; L685-F777 HydrophobicContact CD1-CZ 3.86Å; L685-F777 HydrophobicContact CD2-CE1 4.42Å; L689-F777 HydrophobicContact CD1-CB 3.93Å; L689-F777 HydrophobicContact CD1-CD1 3.37Å; L689-F777 HydrophobicContact CD1-CD2 3.61Å; L689-F777 HydrophobicContact CD1-CE1 3.59Å; L689-F777 HydrophobicContact CD1-CE2 3.81Å; L689-F777 HydrophobicContact CD1-CG 3.36Å; L689-F777 HydrophobicContact CD1-CZ 3.79Å; L689-F777 HydrophobicContact CD2-CD2 4.39Å; L689-F777 HydrophobicContact CD2-CE2 4.11Å; L689-F777 HydrophobicContact CD2-CZ 4.4Å; L689-F777 HydrophobicContact CG-CD2 4.5Å; L689-F777 HydrophobicContact CG-CE1 4.29Å; L689-F777 HydrophobicContact CG-CE2 4.28Å; L689-F777 HydrophobicContact CG-CZ 4.16Å; M751-F777 PolarHBondContact O-N 2.95Å; Y753-F777 AromaticContact CD2-CD2 3.86Å; Y753-F777 HydrophobicContact CD2-CD2 3.86Å; Y753-F777 AromaticContact CD2-CE2 3.6Å; Y753-F777 HydrophobicContact CD2-CE2 3.6Å; Y753-F777 AromaticContact CE2-CD2 3.94Å; Y753-F777 HydrophobicContact CE2-CD2 3.94Å; Y753-F777 AromaticContact CE2-CE2 3.73Å; Y753-F777 HydrophobicContact CE2-CE2 3.73Å; I775-F777 HydrophobicContact CG2-CD2 4.46Å; I775-F777 HydrophobicContact CG2-CE2 4.09Å; I775-F777 HydrophobicContact CG2-CZ 4.4Å
778T72.2Confident63.8Low32 Ų3293 Ų9320%0.19650%0.497CS..EExtended strand (participates in β ladder)trans-93.1138.8-179.557.10000110.6Y631 V632 K634 L776Y631-T778 HydrophobicContact CD1-CG2 3.68Å; Y631-T778 HydrophobicContact CG-CG2 4.32Å; V632-T778 PolarHBondContact O-N 3.49Å; K634-T778 PolarHBondContact N-O 2.78Å; L776-T778 PolarHBondContact O-N 2.93Å
779P61.9Low60.9Low80 Ų8094.9 Ų94.952%0.51951%0.508SS..PPolyproline II helixtrans-58.5154.2172.921.3-29.3000111.6F781P779-F781 PolarHBondContact O-N 3.32Å
780P49.4Very low57.8Low64 Ų6498.9 Ų98.942%0.41654%0.535SS..  trans-58.7113.4-179.422.9-32.4000110.3E635 Y782E635-P780 HydrophobicContact CG-CB 4.19Å; P780-Y782 PolarHBondContact O-N 2.99Å
781F44.6Very low54.9Low185 Ų185101.4 Ų101.481%0.81155%0.55SS**  trans-74.8113.1169.9-94.9-91000108.6P779P779-F781 PolarHBondContact O-N 3.32Å
782Y34.4Very low51.9Low211 Ų211107.4 Ų107.483%0.82758%0.581SS**PPolyproline II helixtrans-62.9127.8164.4-75.5-94.3000108.6P780P780-Y782 PolarHBondContact O-N 2.99Å
783P36.1Very low49Very low115 Ų115109.5 Ų109.575%0.74760%0.599SS**PPolyproline II helixtrans-67.8139179.827-31.6000109.9S785P783-S785 PolarHBondContact O-N 3.23Å
784P34.8Very low45.9Very low128 Ų128117.7 Ų117.783%0.83164%0.64SS**PPolyproline II helixtrans-65.7132.6174.725.3-29.9000110.5
785S32.5Very low43Very low110 Ų110118.6 Ų118.677%0.76965%0.653SS**PPolyproline II helixtrans-58.6138.6174.7510000113P783 S787P783-S785 PolarHBondContact O-N 3.23Å; S785-S787 PolarHBondContact O-N 3.41Å
786D29.9Very low40Very low172 Ų172124.7 Ų124.792%0.9268%0.684SS**  trans-4.4102.3165.2-70.2-38000117.6
787S32.6Very low37.3Very low115 Ų115130.2 Ų130.280%0.80471%0.705SS**  trans-130.3118.1145.9630000108.6S785S785-S787 PolarHBondContact O-N 3.41Å
788K30.6Very low34.6Very low201 Ų201138 Ų13887%0.87474%0.741SS**  trans-53.4156.1176.6-68.3175.9174.3177.50112.1
789E30.5Very low32.3Very low184 Ų184141.5 Ų141.586%0.8677%0.767SS**  trans87.788.6167.5-61.9-17617600116.7P791E789-P791 WeakPolarHBondContact O-CD 3.4Å
790S26.8Very low30.6Very low118 Ų118143 Ų14383%0.82577%0.774SS**  trans-57.9127.7151.7500000113
791P30.2Very low29.3Very low120 Ų120150.6 Ų150.678%0.77980%0.795SS**  trans-103139.9138.429.6-18.6000109.7E789E789-P791 WeakPolarHBondContact O-CD 3.4Å
792N28.2Very low28.4Very low156 Ų156150.1 Ų150.183%0.83479%0.794SS**  trans-42.8145-173.2-77.2-39.7000115.3M794N792-M794 PolarHBondContact O-N 2.68Å
793P27.5Very low28Very low114 Ų114149.9 Ų149.974%0.7480%0.798SS**  trans-67.4119.3-175.427.6-33.2000111I795P793-I795 PolarHBondContact O-N 3.34Å; P793-I795 VanDerWaalsContact O-N 3.08Å
794M24.5Very low27.5Very low171 Ų171149.6 Ų149.684%0.84280%0.798SS**  trans-67.1103.3166.3-155.5175.2-16300107.9N792 I796N792-M794 PolarHBondContact O-N 2.68Å; M794-I796 PolarHBondContact O-N 2.85Å
795I26.3Very low27Very low145 Ų145150.7 Ų150.774%0.74480%0.797SS**  trans-63.996.9167-62.9171.2000106.9P793 K797P793-I795 PolarHBondContact O-N 3.34Å; P793-I795 VanDerWaalsContact O-N 3.08Å; I795-K797 VanDerWaalsContact C-N 3.27Å; I795-K797 HydrophobicContact CG2-CG 4.1Å; I795-K797 PolarHBondContact O-N 3.12Å
796I25.2Very low26.7Very low129 Ų129152.9 Ų152.966%0.66280%0.799SS**  trans-75.188.7167.5-60175.4000106.7M794 H798M794-I796 PolarHBondContact O-N 2.85Å; I796-H798 PolarHBondContact O-N 2.67Å; I796-H798 VanDerWaalsContact O-N 3.07Å
797K24.8Very low26.5Very low181 Ų181151.1 Ų151.179%0.78779%0.79SS**  trans-60.2105.6159-75.5-177.4176.3179.50107.1I795 S799I795-K797 VanDerWaalsContact C-N 3.27Å; I795-K797 HydrophobicContact CG2-CG 4.1Å; I795-K797 PolarHBondContact O-N 3.12Å; K797-S799 VanDerWaalsContact C-N 3.25Å; K797-S799 PolarHBondContact O-N 3.42Å
798H24.2Very low26.2Very low167 Ų167154.5 Ų154.577%0.77379%0.793SS**  trans-65.292162.6-100.575000107.8I796 V800I796-H798 PolarHBondContact O-N 2.67Å; I796-H798 VanDerWaalsContact O-N 3.07Å; H798-V800 PolarHBondContact O-N 3.43Å; H798-V800 VanDerWaalsContact O-N 3.14Å
799S23.7Very low26.1Very low105 Ų105150 Ų15073%0.73478%0.784SS**  trans-71.299.4160.573.90000107K797 R801K797-S799 VanDerWaalsContact C-N 3.25Å; K797-S799 PolarHBondContact O-N 3.42Å; S799-R801 PolarHBondContact O-N 3.29Å
800V25.9Very low25.7Very low111 Ų111147.9 Ų147.967%0.67378%0.779SS**  trans-68.5115.3165.4173.90000107.2H798 H802H798-V800 PolarHBondContact O-N 3.43Å; H798-V800 VanDerWaalsContact O-N 3.14Å; V800-H802 PolarHBondContact O-N 2.86Å; V800-H802 VanDerWaalsContact O-N 3.11Å
801R21.7Very low25.7Very low225 Ų225152.5 Ų152.585%0.84978%0.784SS**  trans-58.3105.3168.1-78.3174.3170.8166.8-3.4109.3S799S799-R801 PolarHBondContact O-N 3.29Å
802H26.3Very low25.4Very low174 Ų174151.9 Ų151.981%0.80678%0.778SS**  trans-89.1107.3147.3-84.5-88.9000107.8V800 S804V800-H802 PolarHBondContact O-N 2.86Å; V800-H802 VanDerWaalsContact O-N 3.11Å; H802-S804 PolarHBondContact O-N 2.9Å
803K25.7Very low25.1Very low207 Ų207154.5 Ų154.590%0.978%0.782SS**  trans-63.1100.2165.6-78.1177173.5178.30107.6
804S26.2Very low24.9Very low109 Ų109152.2 Ų152.276%0.76278%0.779SS**  trans-104.1126.4157-173.30000108.1H802 N806H802-S804 PolarHBondContact O-N 2.9Å; S804-N806 PolarHBondContact O-N 3.49Å
805L24.2Very low24.8Very low151 Ų151152.9 Ų152.979%0.79178%0.781SS**  trans-85.592-170.4-167.987000108.7
806N25.9Very low24.5Very low155 Ų155150.6 Ų150.683%0.82978%0.777SS**  trans-115.996.5166.1-88.9-10.7000109.6S804S804-N806 PolarHBondContact O-N 3.49Å
807N24.8Very low24.4Very low135 Ų135152 Ų15272%0.72279%0.785SS**  trans-68122.6156.9-71.7-24.2000108.2
808H27.6Very low24.3Very low186 Ų186148.1 Ų148.186%0.86178%0.78SS**  -162.4144.5128-110.4-77.1000109.6
809P28.3Very low24.3Very low107 Ų107146.9 Ų146.970%0.69578%0.779SS**  trans-90.3160.9-153.536.3-33.9000113.4
810D22.7Very low24.3Very low140 Ų140150.7 Ų150.775%0.74979%0.786SS**  trans-38.2132162.5-64.8-55.2000114.1
811F25.3Very low24.3Very low215 Ų215153.5 Ų153.594%0.94379%0.789SS**  trans-138.7117.6135-114.3-86.5000109.6
812T23.9Very low24.4Very low106 Ų106149.5 Ų149.565%0.6579%0.785SS**  trans-91.2167173.842.60000110.3
813K23.1Very low24.4Very low211 Ų211150.1 Ų150.192%0.91779%0.785SS**  trans83.7130.8177.3-55.5175.4177.7177.80112.8
814G21.7Very low24.4Very low66 Ų66146.4 Ų146.468%0.6878%0.775SS**  cis135.3145.72100000107.2
815Q22.4Very low24.4Very low186 Ų186146.5 Ų146.587%0.86977%0.771SS**  trans80.7107.4178.3-60.4-179.5-36.800114.9
816S20.9Very low24.5Very low96 Ų96145.5 Ų145.567%0.67177%0.774SS**  58.2107.774.175.80000112.8
817I23.5Very low24.5Very low160 Ų160143.7 Ų143.782%0.82177%0.768SS**  -178.6125.6124.1-85.5149.3000107.1
818S21.9Very low24.6Very low99 Ų99145.6 Ų145.669%0.69277%0.773SS**  trans-46.1137.1161.547.40000113
819N23.8Very low24.8Very low140 Ų140144 Ų14475%0.74977%0.77SS**  -163.3121129.7-91.9-17000108.3F821N819-F821 PolarHBondContact O-N 3.27Å
820E24.2Very low25.1Very low186 Ų186147.5 Ų147.587%0.86978%0.778SS**  trans-45.7126.2153.9-73.1160.7134.100109
821F26.2Very low25.8Very low170 Ų170146.9 Ų146.975%0.74677%0.774SS**  trans-142.697.9150-105-80.9000107.4N819 F823N819-F821 PolarHBondContact O-N 3.27Å; F821-F823 HydrophobicContact CD1-CE2 4.27Å; F821-F823 PolarHBondContact O-N 3.21Å
822D23.4Very low26.9Very low141 Ų141142.7 Ų142.775%0.75477%0.766SS**  trans-42.5126.3150.9-103-29.7000109.7
823F26.3Very low28.1Very low187 Ų187140.3 Ų140.382%0.8276%0.762SS**  trans-127.485.8151.9-91.1-80.7000107.1F821 T825F821-F823 HydrophobicContact CD1-CE2 4.27Å; F821-F823 PolarHBondContact O-N 3.21Å; F823-T825 PolarHBondContact O-N 2.75Å
824D26.3Very low29.3Very low129 Ų129135.3 Ų135.369%0.6974%0.744SS**  trans-50.4122.8150.7-92.3-30.6000109.3
825T25.7Very low30.4Very low110 Ų110134.9 Ų134.968%0.67574%0.739SS**  trans34.5113.8143.559.70000118.8F823F823-T825 PolarHBondContact O-N 2.75Å
826P26Very low32.3Very low131 Ų131131 Ų13185%0.85173%0.728SS**  trans-98.6114.2145.929.7-17.2000109
827V26.4Very low34.2Very low116 Ų116132 Ų13270%0.70373%0.725SS**  trans-42.2134.5171.1170.50000112.7N829V827-N829 PolarHBondContact O-N 3.14Å
828E27.4Very low36.2Very low176 Ų176129.8 Ų129.882%0.82272%0.715SS**  trans-44.5113.2160.5-67.6169.6150.900111
829N31.6Very low38.4Very low152 Ų152126.8 Ų126.881%0.81370%0.7SS**  trans-99.381.8160.7-81.3-27.5000108.4V827 L831V827-N829 PolarHBondContact O-N 3.14Å; N829-L831 VanDerWaalsContact C-N 3.28Å; N829-L831 PolarHBondContact O-N 3.37Å
830E34.4Very low40.8Very low181 Ų181125 Ų12585%0.84669%0.69SS**  trans-6589.6154-75.2-161.2153.800108.6
831L38.2Very low43.4Very low127 Ų127120.5 Ų120.567%0.66568%0.675SS**  trans-150.251.1167.8-136.595.1000112.4N829 I834N829-L831 VanDerWaalsContact C-N 3.28Å; N829-L831 PolarHBondContact O-N 3.37Å; L831-I834 HydrophobicContact CD1-CD1 3.89Å; L831-I834 HydrophobicContact CG-CD1 4.18Å
832T48.3Very low45.7Very low127 Ų127116.1 Ų116.178%0.77966%0.662SS**SBendtrans-119.2-8.5169.1520000114
833G48.1Very low48.3Very low55 Ų55112 Ų11257%0.56765%0.648SS**Hα-helixtrans-78.1-28.817300000114.8G835 L837G833-G835 PolarHBondContact O-N 2.86Å; G833-L837 PolarHBondContact O-N 2.8Å
834I48.1Very low51Low107 Ų107108.1 Ų108.155%0.54963%0.634SS.*Hα-helixtrans-72.1-32.1-176.3-65.7169.1000111.6L831 V836 L837 L838L831-I834 HydrophobicContact CD1-CD1 3.89Å; L831-I834 HydrophobicContact CG-CD1 4.18Å; I834-V836 PolarHBondContact O-N 3.29Å; I834-L837 PolarHBondContact O-N 3.5Å; I834-L838 VanDerWaalsContact O-CB 3.31Å; I834-L838 WeakPolarHBondContact O-CB 3.39Å; I834-L838 PolarHBondContact O-N 3.28Å
835G45.8Very low53.6Low56 Ų56103.7 Ų103.758%0.57762%0.619SS**Hα-helixtrans-65.9-38.217900000113.5G833 G839G833-G835 PolarHBondContact O-N 2.86Å; G835-G839 PolarHBondContact O-N 3.48Å
836V62.4Low56.4Low104 Ų104104.4 Ų104.463%0.6362%0.618SS**Hα-helixtrans-72.6-40.5178.5-179.10000110.9I834 G839 L840I834-V836 PolarHBondContact O-N 3.29Å; V836-G839 PolarHBondContact O-N 3.06Å; V836-L840 PolarHBondContact O-N 3.2Å
837L59.8Low59.3Low118 Ų118104.9 Ų104.962%0.61861%0.607SS**Hα-helixtrans-66.7-40.2176.6-162.775.8000111.7G833 I834 G839 L840 V841G833-L837 PolarHBondContact O-N 2.8Å; I834-L837 PolarHBondContact O-N 3.5Å; L837-G839 VanDerWaalsContact C-N 3.31Å; L837-G839 PolarHBondContact O-N 3.25Å; L837-L840 PolarHBondContact O-N 2.87Å; L837-V841 WeakPolarHBondContact O-CG2 3.4Å; L837-V841 PolarHBondContact O-N 3.42Å
838L65.9Low62.1Low113 Ų113102.7 Ų102.759%0.59259%0.594SS**Hα-helixtrans-66-34.9175.8-160.572.3000111.6I834 T842I834-L838 VanDerWaalsContact O-CB 3.31Å; I834-L838 WeakPolarHBondContact O-CB 3.39Å; I834-L838 PolarHBondContact O-N 3.28Å; L838-T842 WeakPolarHBondContact O-CB 3.22Å; L838-T842 VanDerWaalsContact O-CG2 3.24Å; L838-T842 WeakPolarHBondContact O-CG2 3.21Å; L838-T842 PolarHBondContact O-N 3.27Å; L838-T842 PolarHBondContact O-OG1 2.73Å
839G68Low64.7Low37 Ų3798.2 Ų98.238%0.38158%0.581SS.*Hα-helixtrans-64-41.5172.800000113.4G835 V836 L837 T842 A843G835-G839 PolarHBondContact O-N 3.48Å; V836-G839 PolarHBondContact O-N 3.06Å; L837-G839 VanDerWaalsContact C-N 3.31Å; L837-G839 PolarHBondContact O-N 3.25Å; G839-T842 WeakPolarHBondContact CA-OG1 3.46Å; G839-T842 PolarHBondContact O-OG1 2.99Å; G839-A843 WeakPolarHBondContact O-CB 3.35Å; G839-A843 PolarHBondContact O-N 2.75Å
840L75.3Confident67.3Low102 Ų10297.5 Ų97.553%0.53457%0.571SS.*Hα-helixtrans-69.8-42.7177.4-101.9159.7000112.6V836 L837 T842 A843 I844V836-L840 PolarHBondContact O-N 3.2Å; L837-L840 PolarHBondContact O-N 2.87Å; L840-T842 VanDerWaalsContact C-N 3.34Å; L840-T842 PolarHBondContact O-N 3.32Å; L840-A843 PolarHBondContact O-N 3.21Å; L840-I844 WeakPolarHBondContact O-CG1 3.29Å; L840-I844 PolarHBondContact O-N 2.79Å
841V77.9Confident69.7Low92 Ų9293.3 Ų93.356%0.55855%0.554SS**Hα-helixtrans-65.4-39178.2173.70000111.1L837 G845L837-V841 WeakPolarHBondContact O-CG2 3.4Å; L837-V841 PolarHBondContact O-N 3.42Å; V841-G845 PolarHBondContact O-N 3.44Å
842T75.3Confident72Confident77 Ų7791.5 Ų91.547%0.47254%0.544SS..Hα-helixtrans-68.9-38.5175.850.70000112.3L838 G839 L840 G845 L846L838-T842 WeakPolarHBondContact O-CB 3.22Å; L838-T842 VanDerWaalsContact O-CG2 3.24Å; L838-T842 WeakPolarHBondContact O-CG2 3.21Å; L838-T842 PolarHBondContact O-N 3.27Å; L838-T842 PolarHBondContact O-OG1 2.73Å; G839-T842 WeakPolarHBondContact CA-OG1 3.46Å; G839-T842 PolarHBondContact O-OG1 2.99Å; L840-T842 VanDerWaalsContact C-N 3.34Å; L840-T842 PolarHBondContact O-N 3.32Å; T842-G845 PolarHBondContact O-N 2.6Å; T842-L846 WeakPolarHBondContact O-CB 3.45Å; T842-L846 WeakPolarHBondContact O-CG 3.35Å; T842-L846 PolarHBondContact O-N 3.23Å
843A77.7Confident73.8Confident56 Ų5690.2 Ų90.246%0.46353%0.531SS..Hα-helixtrans-64.3-44.8175.700000112.7G839 L840 L846 F847G839-A843 WeakPolarHBondContact O-CB 3.35Å; G839-A843 PolarHBondContact O-N 2.75Å; L840-A843 PolarHBondContact O-N 3.21Å; A843-L846 PolarHBondContact O-N 2.79Å; A843-F847 PolarHBondContact O-N 2.81Å
844I82.9Confident75.6Confident105 Ų10590.7 Ų90.754%0.53852%0.524SS..Hα-helixtrans-64.5-43.1175.9-65.4166.6000110.2L840 L846 F847 V848L840-I844 WeakPolarHBondContact O-CG1 3.29Å; L840-I844 PolarHBondContact O-N 2.79Å; I844-L846 PolarHBondContact O-N 3.07Å; I844-F847 PolarHBondContact O-N 2.65Å; I844-V848 HydrophobicContact CG2-CG2 4.4Å; I844-V848 WeakPolarHBondContact O-CG2 3.3Å; I844-V848 PolarHBondContact O-N 2.81Å
845G79.7Confident77.4Confident35 Ų3589.9 Ų89.936%0.36152%0.519SS..Hα-helixtrans-60-42.1176.800000113.1V841 T842 V848 C849V841-G845 PolarHBondContact O-N 3.44Å; T842-G845 PolarHBondContact O-N 2.6Å; G845-V848 PolarHBondContact O-N 2.97Å; G845-C849 WeakPolarHBondContact O-CB 3.5Å; G845-C849 PolarHBondContact O-N 3.12Å; G845-C849 PolarHBondContact O-SG 3.4Å
846L85.8Confident79.1Confident125 Ų12593 Ų9365%0.65452%0.52SS*.Hα-helixtrans-67.3-38.9176-74.5172.5000112.2T842 A843 I844 C849 F850T842-L846 WeakPolarHBondContact O-CB 3.45Å; T842-L846 WeakPolarHBondContact O-CG 3.35Å; T842-L846 PolarHBondContact O-N 3.23Å; A843-L846 PolarHBondContact O-N 2.79Å; I844-L846 PolarHBondContact O-N 3.07Å; L846-C849 PolarHBondContact O-N 2.84Å; L846-F850 WeakPolarHBondContact O-CB 3.41Å; L846-F850 PolarHBondContact O-N 2.95Å
847F85.3Confident80Confident141 Ų14192 Ų9262%0.61851%0.51SS*.Hα-helixtrans-64.3-43.9175.9-173.4-100000112A843 I844 F850 L851A843-F847 PolarHBondContact O-N 2.81Å; I844-F847 PolarHBondContact O-N 2.65Å; F847-F850 PolarHBondContact O-N 3.27Å; F847-L851 PolarHBondContact O-N 2.85Å
848V85.6Confident80.9Confident71 Ų7189.9 Ų89.943%0.4350%0.503SS..Hα-helixtrans-64.8-41.8175.8174.30000111.2I844 G845 F850 L851 I852I844-V848 HydrophobicContact CG2-CG2 4.4Å; I844-V848 WeakPolarHBondContact O-CG2 3.3Å; I844-V848 PolarHBondContact O-N 2.81Å; G845-V848 PolarHBondContact O-N 2.97Å; V848-F850 VanDerWaalsContact C-N 3.32Å; V848-F850 PolarHBondContact O-N 2.91Å; V848-L851 PolarHBondContact O-N 2.89Å; V848-I852 HydrophobicContact CG1-CD1 3.89Å; V848-I852 HydrophobicContact CG1-CG1 4.47Å; V848-I852 WeakPolarHBondContact O-CG1 3.43Å; V848-I852 PolarHBondContact O-N 3.26Å
849C81.8Confident81.3Confident82 Ų8291 Ų9155%0.55450%0.503SS*.Hα-helixtrans-61.7-39.9174.8-71.60000112.1G845 L846 I852 L853G845-C849 WeakPolarHBondContact O-CB 3.5Å; G845-C849 PolarHBondContact O-N 3.12Å; G845-C849 PolarHBondContact O-SG 3.4Å; L846-C849 PolarHBondContact O-N 2.84Å; C849-I852 PolarHBondContact O-N 3.19Å; C849-L853 WeakPolarHBondContact O-CB 3.39Å; C849-L853 PolarHBondContact O-N 2.91Å
850F86.1Confident81.6Confident136 Ų13697 Ų9760%0.59652%0.515SS*.Hα-helixtrans-65.2-41.8176.1-168.7-96.2000111.6L846 F847 V848 L853 V854L846-F850 WeakPolarHBondContact O-CB 3.41Å; L846-F850 PolarHBondContact O-N 2.95Å; F847-F850 PolarHBondContact O-N 3.27Å; V848-F850 VanDerWaalsContact C-N 3.32Å; V848-F850 PolarHBondContact O-N 2.91Å; F850-L853 WeakPolarHBondContact O-CB 3.1Å; F850-L853 PolarHBondContact O-N 3.03Å; F850-V854 HydrophobicContact CD1-CG2 4.13Å; F850-V854 HydrophobicContact CE1-CG2 3.87Å; F850-V854 HydrophobicContact CZ-CG2 4.36Å; F850-V854 WeakPolarHBondContact O-CG2 3.33Å; F850-V854 PolarHBondContact O-N 3.36Å
851L86.3Confident81.4Confident94 Ų9497.9 Ų97.949%0.49252%0.517SS..Hα-helixtrans-62.7-44.7176.4-15190000111.7F847 V848 L853 V854 I855F847-L851 PolarHBondContact O-N 2.85Å; V848-L851 PolarHBondContact O-N 2.89Å; L851-L853 VanDerWaalsContact C-N 3.33Å; L851-L853 PolarHBondContact O-N 2.67Å; L851-V854 PolarHBondContact O-N 3.18Å; L851-I855 HydrophobicContact CD2-CD1 4.49Å; L851-I855 VanDerWaalsContact O-CG1 3.31Å; L851-I855 WeakPolarHBondContact O-CG1 3.45Å; L851-I855 PolarHBondContact O-N 3.45Å
852I86.3Confident80.8Confident89 Ų89100.2 Ų100.246%0.45652%0.519SS..Hα-helixtrans-63-40.7175.6-66.7168.2000110.5V848 C849 I855 M856V848-I852 HydrophobicContact CG1-CD1 3.89Å; V848-I852 HydrophobicContact CG1-CG1 4.47Å; V848-I852 WeakPolarHBondContact O-CG1 3.43Å; V848-I852 PolarHBondContact O-N 3.26Å; C849-I852 PolarHBondContact O-N 3.19Å; I852-I855 PolarHBondContact O-N 2.95Å; I852-M856 HydrophobicContact CG2-CG 4.25Å; I852-M856 WeakPolarHBondContact O-CB 3.34Å; I852-M856 VanDerWaalsContact O-CG 3.24Å; I852-M856 WeakPolarHBondContact O-CG 3.42Å; I852-M856 PolarHBondContact O-N 3.35Å
853L85.2Confident80Confident99 Ų99101 Ų10152%0.51852%0.52SS..Hα-helixtrans-62.6-42.8176.4-166.387.7000111.5C849 F850 L851 M856 I857C849-L853 WeakPolarHBondContact O-CB 3.39Å; C849-L853 PolarHBondContact O-N 2.91Å; F850-L853 WeakPolarHBondContact O-CB 3.1Å; F850-L853 PolarHBondContact O-N 3.03Å; L851-L853 VanDerWaalsContact C-N 3.33Å; L851-L853 PolarHBondContact O-N 2.67Å; L853-M856 PolarHBondContact O-N 2.82Å; L853-I857 HydrophobicContact CD2-CD1 4.07Å; L853-I857 HydrophobicContact CG-CD1 3.97Å; L853-I857 WeakPolarHBondContact O-CB 3.38Å; L853-I857 VanDerWaalsContact O-CG1 3.25Å; L853-I857 WeakPolarHBondContact O-CG1 3.36Å; L853-I857 PolarHBondContact O-N 2.94Å
854V86.8Confident79.1Confident66 Ų66101 Ų10140%0.452%0.515SS..Hα-helixtrans-64.1-42.3176.3171.40000111.1F850 L851 M856 I857 T858F850-V854 HydrophobicContact CD1-CG2 4.13Å; F850-V854 HydrophobicContact CE1-CG2 3.87Å; F850-V854 HydrophobicContact CZ-CG2 4.36Å; F850-V854 WeakPolarHBondContact O-CG2 3.33Å; F850-V854 PolarHBondContact O-N 3.36Å; L851-V854 PolarHBondContact O-N 3.18Å; V854-M856 VanDerWaalsContact C-N 3.35Å; V854-I857 PolarHBondContact O-N 2.98Å; V854-T858 WeakPolarHBondContact O-CB 3.49Å; V854-T858 WeakPolarHBondContact O-CG2 3.38Å; V854-T858 PolarHBondContact O-N 2.85Å; V854-T858 PolarHBondContact O-OG1 2.89Å
855I85.7Confident77.4Confident90 Ų90103 Ų10346%0.46252%0.521SS..Hα-helixtrans-62.9-42.4174.4-66.9166.3000110.5L851 I852 T858 F859L851-I855 HydrophobicContact CD2-CD1 4.49Å; L851-I855 VanDerWaalsContact O-CG1 3.31Å; L851-I855 WeakPolarHBondContact O-CG1 3.45Å; L851-I855 PolarHBondContact O-N 3.45Å; I852-I855 PolarHBondContact O-N 2.95Å; I855-T858 WeakPolarHBondContact CA-OG1 3.17Å; I855-T858 PolarHBondContact O-N 3.45Å; I855-T858 PolarHBondContact O-OG1 2.86Å; I855-F859 VanDerWaalsContact O-CB 3.25Å; I855-F859 WeakPolarHBondContact O-CB 3.3Å; I855-F859 PolarHBondContact O-N 2.79Å
856M81Confident75.8Confident120 Ų120107.5 Ų107.559%0.59154%0.536SS*.Hα-helixtrans-67.8-39.9178.2-73.5-68.9158.800112.5I852 L853 V854 F859 Y860I852-M856 HydrophobicContact CG2-CG 4.25Å; I852-M856 WeakPolarHBondContact O-CB 3.34Å; I852-M856 VanDerWaalsContact O-CG 3.24Å; I852-M856 WeakPolarHBondContact O-CG 3.42Å; I852-M856 PolarHBondContact O-N 3.35Å; L853-M856 PolarHBondContact O-N 2.82Å; V854-M856 VanDerWaalsContact C-N 3.35Å; M856-F859 PolarHBondContact O-N 3.37Å; M856-Y860 WeakPolarHBondContact O-CB 3.01Å; M856-Y860 PolarHBondContact O-N 2.85Å
857I80.8Confident73.7Confident83 Ų83105.8 Ų105.843%0.42654%0.535SS..Hα-helixtrans-65.3-44.8175.8-70.1165.8000110.1L853 V854 Y860 Q861L853-I857 HydrophobicContact CD2-CD1 4.07Å; L853-I857 HydrophobicContact CG-CD1 3.97Å; L853-I857 WeakPolarHBondContact O-CB 3.38Å; L853-I857 VanDerWaalsContact O-CG1 3.25Å; L853-I857 WeakPolarHBondContact O-CG1 3.36Å; L853-I857 PolarHBondContact O-N 2.94Å; V854-I857 PolarHBondContact O-N 2.98Å; I857-Y860 PolarHBondContact O-N 2.81Å; I857-Q861 HydrophobicContact CG2-CG 4.44Å; I857-Q861 WeakPolarHBondContact O-CB 3.29Å; I857-Q861 WeakPolarHBondContact O-CG 3.36Å; I857-Q861 PolarHBondContact O-N 2.83Å
858T79.1Confident71.3Confident75 Ų75104 Ų10446%0.4654%0.536SS..Hα-helixtrans-65.8-39.5177.347.30000111.7V854 I855 K862V854-T858 WeakPolarHBondContact O-CB 3.49Å; V854-T858 WeakPolarHBondContact O-CG2 3.38Å; V854-T858 PolarHBondContact O-N 2.85Å; V854-T858 PolarHBondContact O-OG1 2.89Å; I855-T858 WeakPolarHBondContact CA-OG1 3.17Å; I855-T858 PolarHBondContact O-N 3.45Å; I855-T858 PolarHBondContact O-OG1 2.86Å; T858-K862 WeakPolarHBondContact O-CB 3.31Å; T858-K862 PolarHBondContact O-N 2.65Å
859F75.5Confident68.9Low137 Ų137105.9 Ų105.960%0.60155%0.547SS*.Hα-helixtrans-67.5-41.9175.2-150-88.9000111.9I855 M856 K862 L863I855-F859 VanDerWaalsContact O-CB 3.25Å; I855-F859 WeakPolarHBondContact O-CB 3.3Å; I855-F859 PolarHBondContact O-N 2.79Å; M856-F859 PolarHBondContact O-N 3.37Å; F859-K862 PolarHBondContact O-N 3.18Å; F859-L863 HydrophobicContact CE1-CD1 4.41Å; F859-L863 WeakPolarHBondContact O-CB 3.16Å; F859-L863 PolarHBondContact O-N 2.9Å
860Y73Confident66.4Low161 Ų161106.4 Ų106.463%0.63155%0.552SS**Hα-helixtrans-68.2-39.2176.9-166.2-94.8000111.8M856 I857 K862 L863 V864M856-Y860 WeakPolarHBondContact O-CB 3.01Å; M856-Y860 PolarHBondContact O-N 2.85Å; I857-Y860 PolarHBondContact O-N 2.81Å; Y860-K862 VanDerWaalsContact C-N 3.31Å; Y860-K862 PolarHBondContact O-N 2.81Å; Y860-L863 CarbonylContact O-C 3.49Å; Y860-L863 PolarHBondContact O-N 2.72Å; Y860-V864 HydrophobicContact CD1-CG2 3.64Å; Y860-V864 HydrophobicContact CE1-CG2 3.38Å; Y860-V864 HydrophobicContact CG-CG2 4.42Å; Y860-V864 WeakPolarHBondContact O-CB 3.4Å; Y860-V864 VanDerWaalsContact O-CG2 3.24Å; Y860-V864 WeakPolarHBondContact O-CG2 3.48Å; Y860-V864 PolarHBondContact O-N 2.75Å
861Q70.9Confident63.8Low121 Ų121105.7 Ų105.757%0.56556%0.561SS**Hα-helixtrans-61.6-40.9171.8-79.3-179.9-22.500111.5I857 V864 Q865I857-Q861 HydrophobicContact CG2-CG 4.44Å; I857-Q861 WeakPolarHBondContact O-CB 3.29Å; I857-Q861 WeakPolarHBondContact O-CG 3.36Å; I857-Q861 PolarHBondContact O-N 2.83Å; Q861-V864 PolarHBondContact O-N 3.43Å; Q861-Q865 WeakPolarHBondContact O-CB 3.43Å; Q861-Q865 WeakPolarHBondContact O-CG 3.49Å; Q861-Q865 PolarHBondContact O-N 2.91Å
862K65.9Low61Low141 Ų141106.4 Ų106.461%0.61357%0.574SS**Hα-helixtrans-65.9-40.3174.7-155.1169.6-173.1177.70111.4T858 F859 Y860 Q865 L866T858-K862 WeakPolarHBondContact O-CB 3.31Å; T858-K862 PolarHBondContact O-N 2.65Å; F859-K862 PolarHBondContact O-N 3.18Å; Y860-K862 VanDerWaalsContact C-N 3.31Å; Y860-K862 PolarHBondContact O-N 2.81Å; K862-Q865 PolarHBondContact O-N 2.79Å; K862-L866 HydrophobicContact CG-CD1 4.45Å; K862-L866 WeakPolarHBondContact O-CB 3.33Å; K862-L866 WeakPolarHBondContact O-CD1 3.27Å; K862-L866 PolarHBondContact O-N 3.48Å
863L58.3Low58.2Low93 Ų93109.2 Ų109.249%0.48759%0.588SS.*Hα-helixtrans-68.1-38.7176.7-151.986.8000112.1F859 Y860 L866 S867F859-L863 HydrophobicContact CE1-CD1 4.41Å; F859-L863 WeakPolarHBondContact O-CB 3.16Å; F859-L863 PolarHBondContact O-N 2.9Å; Y860-L863 CarbonylContact O-C 3.49Å; Y860-L863 PolarHBondContact O-N 2.72Å; L863-L866 CarbonylContact O-C 3.53Å; L863-L866 WeakPolarHBondContact O-CB 3.07Å; L863-L866 PolarHBondContact O-N 3.1Å; L863-S867 WeakPolarHBondContact O-CB 3.36Å; L863-S867 PolarHBondContact O-N 2.93Å; L863-S867 PolarHBondContact O-OG 3.26Å
864V58.9Low55.5Low58 Ų58111.1 Ų111.135%0.35260%0.599SS.*Hα-helixtrans-66.6-42.9175.4169.90000110Y860 Q861 L866 S867 T868Y860-V864 HydrophobicContact CD1-CG2 3.64Å; Y860-V864 HydrophobicContact CE1-CG2 3.38Å; Y860-V864 HydrophobicContact CG-CG2 4.42Å; Y860-V864 WeakPolarHBondContact O-CB 3.4Å; Y860-V864 VanDerWaalsContact O-CG2 3.24Å; Y860-V864 WeakPolarHBondContact O-CG2 3.48Å; Y860-V864 PolarHBondContact O-N 2.75Å; Q861-V864 PolarHBondContact O-N 3.43Å; V864-L866 VanDerWaalsContact C-N 3.26Å; V864-L866 PolarHBondContact O-N 2.83Å; V864-S867 WeakPolarHBondContact CA-OG 3.48Å; V864-S867 PolarHBondContact O-N 2.86Å; V864-S867 VanDerWaalsContact O-N 3.09Å; V864-S867 PolarHBondContact O-OG 2.78Å; V864-T868 PolarHBondContact O-N 2.85Å; V864-T868 VanDerWaalsContact O-N 3.09Å; V864-T868 PolarHBondContact O-OG1 2.77Å
865Q47.9Very low52.6Low146 Ų146114.8 Ų114.868%0.68262%0.622SS**Hα-helixtrans-61-34.1171.8-78.2-171.6-1800112.7Q861 K862 T868Q861-Q865 WeakPolarHBondContact O-CB 3.43Å; Q861-Q865 WeakPolarHBondContact O-CG 3.49Å; Q861-Q865 PolarHBondContact O-N 2.91Å; K862-Q865 PolarHBondContact O-N 2.79Å; Q865-T868 PolarHBondContact O-OG1 3.02Å
866L44.7Very low49.8Very low129 Ų129119.8 Ų119.868%0.67564%0.643SS**Hα-helixtrans-74.2-26.7174.1-86.2149.2000113.2K862 L863 V864K862-L866 HydrophobicContact CG-CD1 4.45Å; K862-L866 WeakPolarHBondContact O-CB 3.33Å; K862-L866 WeakPolarHBondContact O-CD1 3.27Å; K862-L866 PolarHBondContact O-N 3.48Å; L863-L866 CarbonylContact O-C 3.53Å; L863-L866 WeakPolarHBondContact O-CB 3.07Å; L863-L866 PolarHBondContact O-N 3.1Å; V864-L866 VanDerWaalsContact C-N 3.26Å; V864-L866 PolarHBondContact O-N 2.83Å
867S42.6Very low47.1Very low90 Ų90118.9 Ų118.963%0.62965%0.649SS**Hα-helixtrans-90.8-10179.669.80000115.1L863 V864L863-S867 WeakPolarHBondContact O-CB 3.36Å; L863-S867 PolarHBondContact O-N 2.93Å; L863-S867 PolarHBondContact O-OG 3.26Å; V864-S867 WeakPolarHBondContact CA-OG 3.48Å; V864-S867 PolarHBondContact O-N 2.86Å; V864-S867 VanDerWaalsContact O-N 3.09Å; V864-S867 PolarHBondContact O-OG 2.78Å
868T35.1Very low44.7Very low102 Ų102120.5 Ų120.563%0.62666%0.664SS**THydrogen-bonded Turntrans-95.29.2174.952.20000114.3V864 Q865 S870V864-T868 PolarHBondContact O-N 2.85Å; V864-T868 VanDerWaalsContact O-N 3.09Å; V864-T868 PolarHBondContact O-OG1 2.77Å; Q865-T868 PolarHBondContact O-OG1 3.02Å; T868-S870 PolarHBondContact O-N 2.78Å
869V35.1Very low42.2Very low112 Ų112128.7 Ų128.768%0.67969%0.687SS**  trans-92.482.9168.2-173.30000108.2P871V869-P871 WeakPolarHBondContact O-CD 3.1Å
870S28.8Very low39.7Very low92 Ų92132.5 Ų132.564%0.64370%0.699SS**  trans-55121.516750.40000109.9T868 S872T868-S870 PolarHBondContact O-N 2.78Å; S870-S872 PolarHBondContact O-N 3.05Å
871P32.8Very low37.4Very low121 Ų121133.4 Ų133.479%0.78671%0.711SS**  trans-77.294.1170.721.7-14.4000108.5V869 I873V869-P871 WeakPolarHBondContact O-CD 3.1Å; P871-I873 PolarHBondContact O-N 3.26Å; P871-I873 VanDerWaalsContact O-N 3.13Å
872S26.1Very low35.5Very low110 Ų110133 Ų13377%0.76972%0.719SS**  trans-77.479.3159.458.30000108.4S870S870-S872 PolarHBondContact O-N 3.05Å
873I28.7Very low33.4Very low147 Ų147135 Ų13575%0.75473%0.73SS**  trans-113.398.2163.6-65.4-180000108P871P871-I873 PolarHBondContact O-N 3.26Å; P871-I873 VanDerWaalsContact O-N 3.13Å
874N27.8Very low31.9Very low140 Ų140135.6 Ų135.675%0.74974%0.742SS**  trans30.599.3139.9-73.5-20.6000117.1Q876N874-Q876 VanDerWaalsContact C-N 3.34Å; N874-Q876 PolarHBondContact O-N 3.27Å
875T26.7Very low30.3Very low143 Ų143140 Ų14088%0.87776%0.762SS**  trans-55.593.214750.20000110.2S877T875-S877 PolarHBondContact O-N 3.23Å
876Q25.2Very low29.4Very low194 Ų194141.3 Ų141.391%0.90777%0.773SS**  trans-79.5104.9153.3-79.1-172.3-11.900107.7N874N874-Q876 VanDerWaalsContact C-N 3.34Å; N874-Q876 PolarHBondContact O-N 3.27Å
877S24.9Very low28.4Very low102 Ų102145.4 Ų145.471%0.71378%0.779SS**  trans-89.4147.5158.653.50000109.1T875T875-S877 PolarHBondContact O-N 3.23Å
878P30.3Very low27.6Very low116 Ų116149 Ų14975%0.75379%0.785SS**  trans-89.3128.5-154.733.5-31.9000111.7
879R26.5Very low27.3Very low247 Ų247151.4 Ų151.493%0.93279%0.793SS**  trans-92.3106.2163.1-82.5-170.4-173.6177.43.6109.9
880Y22.6Very low26.9Very low218 Ų218151.6 Ų151.686%0.85580%0.796SS**  trans-17.5124.2144-80.8-99.8000114.4
881M25.4Very low26.8Very low180 Ų180154.2 Ų154.289%0.88781%0.808SS**  trans-149.1146.3142.7-91.1-61.4172.700108.9
882P30.7Very low26.7Very low111 Ų111157 Ų15772%0.72181%0.811SS**  trans-93.1152.2-143.734.9-35.7000115.3
883H23.1Very low26.8Very low183 Ų183160.7 Ų160.785%0.84782%0.816SS**  trans-62.7155.1161.2-87.4-79.2000112.4
884S26.4Very low26.9Very low106 Ų106161 Ų16174%0.74182%0.819SS**  trans77.5122.7175.476.40000112.8
885I25.3Very low27.1Very low150 Ų150160.6 Ų160.677%0.76982%0.816SS**  cis-156.2125.745.4-69.4157.1000107.7
886L27.6Very low27.7Very low174 Ų174162.8 Ų162.891%0.91181%0.813SS**  trans-156.180.6153.5-110.7137.5000108.5
887R24.1Very low28.3Very low215 Ų215157.2 Ų157.281%0.81180%0.796SS**  trans-93.2143.9157.2-85.2-169-176.6-1652.5108.1
888H26.8Very low28.8Very low165 Ų165156.7 Ų156.776%0.76479%0.786SS**  trans77.291163.1-62.1-51.4000117.9
889I28.6Very low29.2Very low154 Ų154160.7 Ų160.779%0.7979%0.785SS**  -134.7133.6126.8-59.1-175.1000108
890P26.4Very low29.9Very low115 Ų115154.3 Ų154.375%0.74777%0.77SS**  trans-78.4145.4-167-7.826.5000113.3E892P890-E892 PolarHBondContact O-N 2.78Å
891V27.9Very low30.6Very low147 Ų147150.5 Ų150.589%0.89176%0.764SS**  trans-82.189.6176.9-1800000108.9
892E29.1Very low31.2Very low180 Ų180148.8 Ų148.884%0.84176%0.755SS**  trans-155.9126.3160.7-110.3166.6-154.100108P890P890-E892 PolarHBondContact O-N 2.78Å
893Q28.7Very low31.8Very low187 Ų187148.3 Ų148.387%0.87475%0.746SS**  trans86.562.6-173.4-48.5-16510.500117
894L29.9Very low32.7Very low155 Ų155143 Ų14381%0.81273%0.73SS**  trans-107.6116.1145-99.5103.8000109.2D898L894-D898 HydrophobicContact CD2-CB 4.48Å
895N33.9Very low33.4Very low131 Ų131141.3 Ų141.370%0.70172%0.718SS**  trans-65.6147.7-179.5-88.7-28.4000111.6S897 D898N895-S897 PolarHBondContact O-N 3.38Å; N895-D898 PolarHBondContact O-N 2.86Å
896K37.9Very low34.3Very low188 Ų188142.4 Ų142.482%0.81771%0.713SS**THydrogen-bonded Turntrans-57.6-8.2-176.8-80.9177.7174.2176.10115.4D898K896-D898 VanDerWaalsContact C-N 3.35Å
897S37.2Very low35Very low78 Ų78140.8 Ų140.855%0.54570%0.701SS.*Hα-helixtrans-68-31.1176.845.80000113.1N895N895-S897 PolarHBondContact O-N 3.38Å
898D36.5Very low35.9Very low91 Ų91139.2 Ų139.249%0.48770%0.696SS.*Hα-helixtrans-83-16.5-172.8-63.9-19.4000113.6L894 N895 K896L894-D898 HydrophobicContact CD2-CB 4.48Å; N895-D898 PolarHBondContact O-N 2.86Å; K896-D898 VanDerWaalsContact C-N 3.35Å
899R37.7Very low36.5Very low199 Ų199139.4 Ų139.475%0.75169%0.691SS**Hα-helixtrans-72.8-33.8174.3-73.9-169.5-169-174.23.1112.7L901 M902 D903R899-L901 VanDerWaalsContact C-N 3.33Å; R899-L901 PolarHBondContact O-N 2.74Å; R899-M902 PolarHBondContact O-N 2.87Å; R899-D903 PolarHBondContact O-N 2.89Å
900N41.7Very low37.1Very low114 Ų114136.7 Ų136.761%0.6168%0.677SS**Hα-helixtrans-73.4-26-179.1-71.7-8.8000112.6S904N900-S904 PolarHBondContact O-N 3.37Å; N900-S904 PolarHBondContact O-OG 2.97Å
901L37.5Very low37.9Very low138 Ų138136.4 Ų136.472%0.72367%0.666SS**Hα-helixtrans-76-32.8177.4-134.686.8000112.1R899 S905R899-L901 VanDerWaalsContact C-N 3.33Å; R899-L901 PolarHBondContact O-N 2.74Å; L901-S905 PolarHBondContact O-N 2.75Å; L901-S905 PolarHBondContact O-OG 2.96Å
902M38.1Very low38.5Very low144 Ų144131.8 Ų131.871%0.70964%0.644SS**Hα-helixtrans-75-35.5175.2-86.6-131.6151.700113.3R899 S905 R906R899-M902 PolarHBondContact O-N 2.87Å; M902-S905 WeakPolarHBondContact CA-OG 3.3Å; M902-S905 PolarHBondContact O-OG 3.01Å; M902-S905 VanDerWaalsContact O-OG 3.09Å; M902-R906 WeakPolarHBondContact O-CB 3.42Å; M902-R906 PolarHBondContact O-N 3.4Å; M902-R906 VanDerWaalsContact O-N 3.09Å
903D44.1Very low38.9Very low100 Ų100127.7 Ų127.754%0.53563%0.627SS.*Hα-helixtrans-71-33.7176.5-79.7-24.9000112.3R899 R906 Q907R899-D903 PolarHBondContact O-N 2.89Å; D903-R906 PolarHBondContact O-N 3.39Å; D903-Q907 PolarHBondContact O-N 3.33Å
904S42.4Very low39.4Very low72 Ų72124.9 Ų124.950%0.50362%0.618SS.*Hα-helixtrans-69.2-38.9177-57.30000112.6N900 Q907 Y908N900-S904 PolarHBondContact O-N 3.37Å; N900-S904 PolarHBondContact O-OG 2.97Å; S904-Q907 PolarHBondContact O-N 2.67Å; S904-Y908 PolarHBondContact O-N 3.16Å; S904-Y908 VanDerWaalsContact O-N 3.1Å
905S40.1Very low39.9Very low70 Ų70124.2 Ų124.249%0.4961%0.611SS.*Hα-helixtrans-72-33.5176.543.50000112.3L901 M902 Y908 Y909L901-S905 PolarHBondContact O-N 2.75Å; L901-S905 PolarHBondContact O-OG 2.96Å; M902-S905 WeakPolarHBondContact CA-OG 3.3Å; M902-S905 PolarHBondContact O-OG 3.01Å; M902-S905 VanDerWaalsContact O-OG 3.09Å; S905-Y908 PolarHBondContact O-N 3.49Å; S905-Y909 PolarHBondContact O-N 2.99Å; S905-Y909 VanDerWaalsContact O-N 3.08Å
906R43.8Very low40.1Very low173 Ų173123.4 Ų123.465%0.65361%0.61SS**Hα-helixtrans-68.7-37.8173.2-168.8177179.3170.60.7112.6M902 D903 L910M902-R906 WeakPolarHBondContact O-CB 3.42Å; M902-R906 PolarHBondContact O-N 3.4Å; M902-R906 VanDerWaalsContact O-N 3.09Å; D903-R906 PolarHBondContact O-N 3.39Å; R906-L910 HydrophobicContact CG-CD1 4.17Å; R906-L910 WeakPolarHBondContact O-CB 3.36Å; R906-L910 WeakPolarHBondContact O-CG 3.24Å; R906-L910 PolarHBondContact O-N 2.89Å; R906-L910 VanDerWaalsContact O-N 3.08Å
907Q43.5Very low39.9Very low141 Ų141120.7 Ų120.766%0.65960%0.602SS**Hα-helixtrans-65.9-41.3173.2-90.9-171.2-32.200112.1D903 S904 Y909 L910 Q911D903-Q907 PolarHBondContact O-N 3.33Å; S904-Q907 PolarHBondContact O-N 2.67Å; Q907-Y909 VanDerWaalsContact C-N 3.34Å; Q907-Y909 PolarHBondContact O-N 3.31Å; Q907-L910 PolarHBondContact O-N 2.88Å; Q907-Q911 VanDerWaalsContact O-CB 3.3Å; Q907-Q911 WeakPolarHBondContact O-CB 3.4Å; Q907-Q911 PolarHBondContact O-N 2.93Å
908Y41.3Very low40.2Very low182 Ų182121.7 Ų121.771%0.71461%0.607SS**Hα-helixtrans-62.9-39.8176.3-114.9-84.5000112.6S904 S905 Q911 A912S904-Y908 PolarHBondContact O-N 3.16Å; S904-Y908 VanDerWaalsContact O-N 3.1Å; S905-Y908 PolarHBondContact O-N 3.49Å; Y908-Q911 PolarHBondContact O-N 2.82Å; Y908-A912 VanDerWaalsContact O-CB 3.3Å; Y908-A912 WeakPolarHBondContact O-CB 3.37Å; Y908-A912 PolarHBondContact O-N 3.04Å
909Y39.6Very low40.2Very low168 Ų168124.8 Ų124.866%0.65962%0.623SS**Hα-helixtrans-68.7-37.8177.6-164.4-99000112.5S905 Q907 L913S905-Y909 PolarHBondContact O-N 2.99Å; S905-Y909 VanDerWaalsContact O-N 3.08Å; Q907-Y909 VanDerWaalsContact C-N 3.34Å; Q907-Y909 PolarHBondContact O-N 3.31Å; Y909-L913 HydrophobicContact CD1-CD1 3.69Å; Y909-L913 HydrophobicContact CE1-CD1 3.48Å; Y909-L913 VanDerWaalsContact CE1-CD1 3.48Å; Y909-L913 HydrophobicContact CE1-CG 4.46Å; Y909-L913 WeakPolarHBondContact O-CB 3.34Å; Y909-L913 PolarHBondContact O-N 3.19Å
910L42.5Very low40Very low97 Ų97117.7 Ų117.751%0.50860%0.604SS.*Hα-helixtrans-73-32.6175.9-72.5168.6000112.6R906 Q907 N914R906-L910 HydrophobicContact CG-CD1 4.17Å; R906-L910 WeakPolarHBondContact O-CB 3.36Å; R906-L910 WeakPolarHBondContact O-CG 3.24Å; R906-L910 PolarHBondContact O-N 2.89Å; R906-L910 VanDerWaalsContact O-N 3.08Å; Q907-L910 PolarHBondContact O-N 2.88Å; L910-N914 PolarHBondContact O-N 2.84Å; L910-N914 VanDerWaalsContact O-N 3.14Å
911Q43.4Very low39.8Very low110 Ų110121 Ų12151%0.51462%0.616SS.*Hα-helixtrans-71.8-41.5174.9-167.9169.1-4.200111.2Q907 Y908 L913 N914 E915Q907-Q911 VanDerWaalsContact O-CB 3.3Å; Q907-Q911 WeakPolarHBondContact O-CB 3.4Å; Q907-Q911 PolarHBondContact O-N 2.93Å; Y908-Q911 PolarHBondContact O-N 2.82Å; Q911-L913 VanDerWaalsContact C-N 3.3Å; Q911-L913 PolarHBondContact O-N 2.93Å; Q911-N914 PolarHBondContact O-N 3.04Å; Q911-N914 VanDerWaalsContact O-N 3.14Å; Q911-E915 PolarHBondContact O-N 3.45Å
912A39.5Very low39.9Very low50 Ų50119 Ų11941%0.41361%0.614SS.*Hα-helixtrans-62.4-36.317300000112.4Y908 V916Y908-A912 VanDerWaalsContact O-CB 3.3Å; Y908-A912 WeakPolarHBondContact O-CB 3.37Å; Y908-A912 PolarHBondContact O-N 3.04Å; A912-V916 VanDerWaalsContact O-CG2 3.27Å; A912-V916 WeakPolarHBondContact O-CG2 3.23Å; A912-V916 PolarHBondContact O-N 2.99Å
913L37.1Very low39.7Very low94 Ų94119.7 Ų119.749%0.49262%0.615SS.*Hα-helixtrans-67.7-33173.8-90.3160.5000113.1Y909 Q911Y909-L913 HydrophobicContact CD1-CD1 3.69Å; Y909-L913 HydrophobicContact CE1-CD1 3.48Å; Y909-L913 VanDerWaalsContact CE1-CD1 3.48Å; Y909-L913 HydrophobicContact CE1-CG 4.46Å; Y909-L913 WeakPolarHBondContact O-CB 3.34Å; Y909-L913 PolarHBondContact O-N 3.19Å; Q911-L913 VanDerWaalsContact C-N 3.3Å; Q911-L913 PolarHBondContact O-N 2.93Å
914N39.6Very low39.2Very low128 Ų128120 Ų12068%0.68462%0.616SS**Hα-helixtrans-76-31.4176.4-89.1-8.6000113.2L910 Q911L910-N914 PolarHBondContact O-N 2.84Å; L910-N914 VanDerWaalsContact O-N 3.14Å; Q911-N914 PolarHBondContact O-N 3.04Å; Q911-N914 VanDerWaalsContact O-N 3.14Å
915E40.4Very low38.7Very low141 Ų141124.2 Ų124.266%0.65963%0.63SS**Hα-helixtrans-75.5-30.3178.9-77-179.9-178.200112.9Q911Q911-E915 PolarHBondContact O-N 3.45Å
916V38.2Very low38.5Very low113 Ų113125.4 Ų125.469%0.68563%0.634SS**Hα-helixtrans-82.3-19-176.8178.40000112.8A912A912-V916 VanDerWaalsContact O-CG2 3.27Å; A912-V916 WeakPolarHBondContact O-CG2 3.23Å; A912-V916 PolarHBondContact O-N 2.99Å
917M34.4Very low38Very low131 Ų131120 Ų12065%0.64562%0.623SS**  trans-142.975.9-176-71.2-77.2-162.500112.7N919M917-N919 PolarHBondContact O-N 3.33Å
918P42.5Very low37.6Very low100 Ų100121 Ų12165%0.64963%0.626SS**SBendtrans-76.1-15.4-171.2-16.130.7000115.7
919N36.1Very low37.3Very low156 Ų156118.1 Ų118.183%0.83463%0.627SS**SBendtrans-148.546.9-164.6-83-33.1000115.8M917M917-N919 PolarHBondContact O-N 3.33Å
920S34.5Very low37.2Very low49 Ų49116.3 Ų116.334%0.34363%0.633SS.*  trans-126.87.1175.662.40000116.1
921Q36.7Very low36.8Very low183 Ų183121.3 Ų121.386%0.85566%0.66SS**THydrogen-bonded Turntrans-80.7-14.6179.5-73.9-141.5-16.300115.8
922S40Very low36.4Very low98 Ų98121.9 Ų121.969%0.68567%0.667SS**THydrogen-bonded Turntrans-87.1-32.8177.864.90000114T926S922-T926 PolarHBondContact O-OG1 2.82Å
923E34.1Very low36.3Very low157 Ų157125.7 Ų125.773%0.73468%0.68SS**THydrogen-bonded Turntrans-87.5-27.8-175.9-72.3-173.9160.200113.5T926E923-T926 PolarHBondContact O-OG1 2.98Å
924L32.7Very low36.2Very low106 Ų106127.4 Ų127.456%0.55569%0.691SS**Hα-helixtrans-77.3-22.3179.9-102.6145.1000113.8
925M32Very low36Very low162 Ų162127.4 Ų127.480%0.79869%0.691SS**Hα-helixtrans-80.4-21.2175.7-104.9-136.1179.100113.7
926T36.2Very low35.8Very low94 Ų94126.6 Ų126.658%0.57769%0.693SS**Hα-helixtrans-86.4-24.2-179.115.90000113.3S922 E923 T930S922-T926 PolarHBondContact O-OG1 2.82Å; E923-T926 PolarHBondContact O-OG1 2.98Å; T926-T930 PolarHBondContact O-OG1 2.97Å
927S34.6Very low35.6Very low60 Ų60127.5 Ų127.542%0.4269%0.694SS.*Hα-helixtrans-79.6-27.4179.763.20000113.9T929 T930S927-T929 VanDerWaalsContact C-N 3.35Å; S927-T929 PolarHBondContact O-N 3Å; S927-T930 PolarHBondContact O-OG1 3Å
928F33.4Very low35.7Very low163 Ų163127.2 Ų127.272%0.71570%0.697SS**THydrogen-bonded Turntrans-81.4-4.8-178.6-103.4-79.4000115.4
929T36.8Very low35.2Very low121 Ų121129.3 Ų129.374%0.74270%0.701SS**THydrogen-bonded Turntrans-97.1-10.4173.224.40000113.5S927S927-T929 VanDerWaalsContact C-N 3.35Å; S927-T929 PolarHBondContact O-N 3Å
930T35.6Very low35.1Very low129 Ų129127.1 Ų127.179%0.79169%0.69SS**  trans-104.2-6.5176.621.20000114.5T926 S927T926-T930 PolarHBondContact O-OG1 2.97Å; S927-T930 PolarHBondContact O-OG1 3Å
931L34.6Very low35.2Very low203 Ų203134.2 Ų134.2100%1.06372%0.721SS**  trans-105.30171.5-120.8146.3000108.4

Retrieved 931 of 931 residues in 493.5 ms (Link to these results)

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