A0A077ZIV7_TRITR Loading...

acetate--CoA ligase

AlphaFold DB , UniProt , Accession A0A077ZIV7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 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
1M48Very low68.5Low197 Ų197128.5 Ų128.597%0.9763%0.63SS**  0-36.50-138.5-172.9-79.300112.5K3 R4 Y5M1-K3 VanDerWaalsContact C-N 3.29Å; M1-K3 PolarHBondContact O-N 3.41Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-R4 PolarHBondContact O-N 2.98Å; M1-Y5 HydrophobicContact CG-CE2 4.38Å
2L54.6Low69.3Low34 Ų34126.5 Ų126.518%0.17862%0.623CS.*G310 helixtrans-55.1-28.9-176.2-60.7171000116.1R4 Y5 A11 A26L2-R4 PolarHBondContact O-N 3.16Å; L2-Y5 CarbonylContact O-C 3.38Å; L2-Y5 PolarHBondContact O-N 2.59Å; L2-A11 HydrophobicContact CD1-CB 4.39Å; L2-A26 HydrophobicContact CD1-CB 4.07Å
3K59.4Low70Confident219 Ų219122.7 Ų122.795%0.95261%0.606SS**G310 helixtrans-56.9-20.4179.1-69.4-172.4-179.8-179.80114.9M1M1-K3 VanDerWaalsContact C-N 3.29Å; M1-K3 PolarHBondContact O-N 3.41Å; M1-K3 VanDerWaalsContact O-N 3.14Å
4R67.6Low70.3Confident219 Ų219119.2 Ų119.283%0.82660%0.6SS**G310 helixtrans-94.8-8.4176.6-69.6-174.3178.6-178.8-0113.7M1 L2M1-R4 PolarHBondContact O-N 2.98Å; L2-R4 PolarHBondContact O-N 3.16Å
5Y73.1Confident70.3Confident127 Ų127120.3 Ų120.350%0.49860%0.602SS.*  trans-129.986.4-171.9-57.3-68.5000109.7M1 L2 T7 S8M1-Y5 HydrophobicContact CG-CE2 4.38Å; L2-Y5 CarbonylContact O-C 3.38Å; L2-Y5 PolarHBondContact O-N 2.59Å; Y5-T7 PolarHBondContact O-N 3.4Å; Y5-T7 VanDerWaalsContact O-N 3.1Å; Y5-S8 PolarHBondContact O-N 2.96Å
6P72.5Confident70.2Confident129 Ų129119.9 Ų119.984%0.83861%0.608SS**THydrogen-bonded Turntrans-65.9-16.1-171.426.7-35000114
7T79.8Confident69.9Low125 Ų125116.9 Ų116.977%0.76760%0.6SS**THydrogen-bonded Turntrans-87.3-9.5177.355.50000113.4Y5 E9Y5-T7 PolarHBondContact O-N 3.4Å; Y5-T7 VanDerWaalsContact O-N 3.1Å; T7-E9 PolarHBondContact O-N 3.03Å
8S72.4Confident69Low54 Ų54118.8 Ų118.838%0.37861%0.612SS.*  trans-87.9108.1179.5-60.80000109.6Y5Y5-S8 PolarHBondContact O-N 2.96Å
9E73.4Confident68.3Low148 Ų148118.5 Ų118.569%0.69261%0.61SS**  trans-89.7-34.6-177.8-64.5-178171.900112.6T7 S28T7-E9 PolarHBondContact O-N 3.03Å; E9-S28 WeakPolarHBondContact O-CB 3.42Å; E9-S28 PolarHBondContact O-OG 3.33Å
10H76.2Confident67.6Low136 Ų136118.5 Ų118.563%0.6361%0.61SS**  trans-131.7149.1-174.7-63.8-80.5000111.6
11A76.3Confident66.9Low25 Ų25119.7 Ų119.721%0.20762%0.618CS.*EExtended strand (participates in β ladder)trans-135120.7168.700000109.8L2 D29 T30L2-A11 HydrophobicContact CD1-CB 4.39Å; A11-D29 WeakPolarHBondContact O-CA 3.47Å; A11-T30 PolarHBondContact O-N 3.3Å
12I78.5Confident67.4Low105 Ų105117.9 Ų117.954%0.53861%0.607SS.*EExtended strand (participates in β ladder)trans-97.7125.3176.4-57.3174.1000108.1Y32I12-Y32 HydrophobicContact CG2-CD2 3.98Å; I12-Y32 HydrophobicContact CG2-CG 4.41Å
13L77.8Confident67.5Low77 Ų77121 Ų12140%0.40363%0.63SS.*EExtended strand (participates in β ladder)trans-113.2121.6-173.8-64.7168.5000110.7L24 D29 T30 Y32L13-L24 HydrophobicContact CD1-CD2 3.32Å; L13-D29 HydrophobicContact CD1-CB 3.93Å; L13-T30 PolarHBondContact N-O 3.31Å; L13-Y32 WeakPolarHBondContact O-CB 3.48Å; L13-Y32 PolarHBondContact O-N 3.14Å
14S74.6Confident67.5Low74 Ų74115.3 Ų115.352%0.51761%0.609SS.*  trans-90.9133.3171.1-179.20000110.2
15Q71.1Confident67Low135 Ų135111 Ų11163%0.63161%0.607SS**  trans-88107.9176.7-65.6-174.31.300109.7
16T68Low66.2Low114 Ų114106.7 Ų106.770%0.69960%0.598SS**  trans-105-5.8-17756.90000114.1
17S64.3Low65.2Low69 Ų69109.7 Ų109.748%0.48361%0.606SS.*SBendtrans-146.2160.8179.959.20000111.4I19S17-I19 PolarHBondContact O-N 3.35Å; S17-I19 WeakPolarHBondContact OG-CG1 3.3Å
18D54.9Low64.5Low152 Ų152105.3 Ų105.381%0.81358%0.58SS**SBendtrans-65.322.3176.1-61.3-37.7000114.1I20D18-I20 HydrophobicContact CB-CD1 4.16Å; D18-I20 WeakPolarHBondContact O-CG1 3.32Å; D18-I20 PolarHBondContact O-N 3.41Å
19I55.1Low64.4Low112 Ų112104.1 Ų104.157%0.57457%0.57SS**  trans-74.169.5167.5-54.9175.5000107.7S17 N21 Q22S17-I19 PolarHBondContact O-N 3.35Å; S17-I19 WeakPolarHBondContact OG-CG1 3.3Å; I19-N21 PolarHBondContact O-N 3.5Å; I19-Q22 HydrophobicContact CG2-CG 3.96Å
20I53.7Low64.5Low118 Ų11899 Ų9961%0.60555%0.549SS*.THydrogen-bonded Turntrans-69-3-169.3-73.1159.4000113.3D18D18-I20 HydrophobicContact CB-CD1 4.16Å; D18-I20 WeakPolarHBondContact O-CG1 3.32Å; D18-I20 PolarHBondContact O-N 3.41Å
21N54.3Low64.8Low144 Ų14494 Ų9477%0.7753%0.528SS*.THydrogen-bonded Turntrans-144.625.9-163.1-74.8-48.1000116.6I19 P23I19-N21 PolarHBondContact O-N 3.5Å; N21-P23 WeakPolarHBondContact O-CD 3.48Å
22Q58.6Low65.3Low159 Ų15997.8 Ų97.874%0.74354%0.538SS*.  trans-83.5119165.3-74.1-160.314.900110I19 L24I19-Q22 HydrophobicContact CG2-CG 3.96Å; Q22-L24 PolarHBondContact O-N 3.19Å
23P56.3Low65.6Low101 Ų10197.3 Ų97.366%0.65654%0.537SS*.  trans-62.8135.8177.322.5-29.2000110.2N21 T25N21-P23 WeakPolarHBondContact O-CD 3.48Å; P23-T25 HydrophobicContact CG-CG2 4.28Å; P23-T25 WeakPolarHBondContact O-CG2 3.48Å; P23-T25 PolarHBondContact O-N 3.36Å; P23-T25 VanDerWaalsContact O-N 3.08Å
24L59.2Low65.9Low99 Ų9996.4 Ų96.452%0.51854%0.537SS..  trans-58110.3165.1-63.1170.4000107L13 Q22 D29L13-L24 HydrophobicContact CD1-CD2 3.32Å; Q22-L24 PolarHBondContact O-N 3.19Å; L24-D29 HydrophobicContact CB-CB 4.17Å; L24-D29 HydrophobicContact CD2-CB 3.88Å
25T56.8Low66.6Low128 Ų12896.3 Ų96.379%0.78553%0.528SS*.  trans-102.31.1-164.636.30000113.8P23P23-T25 HydrophobicContact CG-CG2 4.28Å; P23-T25 WeakPolarHBondContact O-CG2 3.48Å; P23-T25 PolarHBondContact O-N 3.36Å; P23-T25 VanDerWaalsContact O-N 3.08Å
26A56.6Low67.4Low37 Ų3794.1 Ų94.131%0.30652%0.519SS..SBendtrans-121.2156.1173.800000112.8L2 S28 D29L2-A26 HydrophobicContact CD1-CB 4.07Å; A26-S28 PolarHBondContact O-N 3.34Å; A26-D29 WeakPolarHBondContact CB-OD2 3.11Å; A26-D29 PolarHBondContact N-OD2 3.35Å; A26-D29 PolarHBondContact O-N 2.97Å
27L51.8Low68.5Low192 Ų19293.1 Ų93.1100%1.00552%0.516SS*.THydrogen-bonded Turntrans-661.8-170.2-85.3148.6000115.7
28S65.6Low69.8Low32 Ų3297 Ų9722%0.22453%0.527CS..THydrogen-bonded Turntrans-150.117.6-177.157.70000114.5E9 A26E9-S28 WeakPolarHBondContact O-CB 3.42Å; E9-S28 PolarHBondContact O-OG 3.33Å; A26-S28 PolarHBondContact O-N 3.34Å
29D69.6Low71.5Confident30 Ų3093.7 Ų93.716%0.1651%0.512CS..EExtended strand (participates in β ladder)trans-78123.4175.1-60-21.8000109.1A11 L13 L24 A26A11-D29 WeakPolarHBondContact O-CA 3.47Å; L13-D29 HydrophobicContact CD1-CB 3.93Å; L24-D29 HydrophobicContact CB-CB 4.17Å; L24-D29 HydrophobicContact CD2-CB 3.88Å; A26-D29 WeakPolarHBondContact CB-OD2 3.11Å; A26-D29 PolarHBondContact N-OD2 3.35Å; A26-D29 PolarHBondContact O-N 2.97Å
30T76.1Confident73.3Confident41 Ų4195.3 Ų95.325%0.25252%0.522SS..EExtended strand (participates in β ladder)trans-121.5153.8176.962.50000112A11 L13 E35A11-T30 PolarHBondContact O-N 3.3Å; L13-T30 PolarHBondContact N-O 3.31Å; T30-E35 WeakPolarHBondContact CB-OE1 3.45Å; T30-E35 VanDerWaalsContact CG2-OE1 3.26Å; T30-E35 WeakPolarHBondContact CG2-OE1 3.33Å; T30-E35 VanDerWaalsContact OG1-CD 3.31Å; T30-E35 WeakPolarHBondContact OG1-CG 3.2Å; T30-E35 PolarHBondContact OG1-OE1 3.06Å
31S82.3Confident75.1Confident29 Ų2996 Ų9620%0.20354%0.538CS..EExtended strand (participates in β ladder)trans-79.6130.2180177.90000110.3D33 S34 E35S31-D33 VanDerWaalsContact C-N 3.27Å; S31-D33 PolarHBondContact O-N 3.27Å; S31-S34 WeakPolarHBondContact O-CB 3.49Å; S31-S34 PolarHBondContact O-N 3.02Å; S31-E35 WeakPolarHBondContact O-CG 3.08Å; S31-E35 PolarHBondContact O-N 2.87Å
32Y85.3Confident77Confident106 Ų10693.4 Ų93.442%0.41653%0.531SS..Hα-helixtrans-51.4-46.5174.7177.1-93.4000112I12 L13 S34 E35 M36I12-Y32 HydrophobicContact CG2-CD2 3.98Å; I12-Y32 HydrophobicContact CG2-CG 4.41Å; L13-Y32 WeakPolarHBondContact O-CB 3.48Å; L13-Y32 PolarHBondContact O-N 3.14Å; Y32-S34 VanDerWaalsContact C-N 3.27Å; Y32-S34 PolarHBondContact O-N 3.02Å; Y32-E35 PolarHBondContact O-N 2.84Å; Y32-M36 HydrophobicContact CD1-CG 4.05Å; Y32-M36 HydrophobicContact CD2-CG 4.08Å; Y32-M36 HydrophobicContact CE1-CB 4.47Å; Y32-M36 HydrophobicContact CE1-CG 3.64Å; Y32-M36 HydrophobicContact CE2-CG 3.68Å; Y32-M36 HydrophobicContact CE2-SD 4.14Å; Y32-M36 HydrophobicContact CG-CG 4.26Å; Y32-M36 VanDerWaalsContact CZ-CG 3.45Å; Y32-M36 WeakPolarHBondContact O-CB 3.28Å; Y32-M36 VanDerWaalsContact O-CG 3.28Å; Y32-M36 WeakPolarHBondContact O-CG 3.47Å; Y32-M36 PolarHBondContact O-N 3.06Å
33D85.1Confident78.7Confident95 Ų9591.4 Ų91.451%0.50853%0.533SS..Hα-helixtrans-66.4-32.3-178.2-61.6-34.7000112.1S31 S37S31-D33 VanDerWaalsContact C-N 3.27Å; S31-D33 PolarHBondContact O-N 3.27Å; D33-S37 WeakPolarHBondContact O-CB 3.44Å; D33-S37 PolarHBondContact O-N 3.2Å; D33-S37 VanDerWaalsContact O-N 3.14Å
34S85.6Confident80.5Confident58 Ų5893.9 Ų93.941%0.40654%0.535SS..Hα-helixtrans-69.9-51.4176.3-1670000110.4S31 Y32 M36 S37S31-S34 WeakPolarHBondContact O-CB 3.49Å; S31-S34 PolarHBondContact O-N 3.02Å; Y32-S34 VanDerWaalsContact C-N 3.27Å; Y32-S34 PolarHBondContact O-N 3.02Å; S34-M36 VanDerWaalsContact C-N 3.34Å; S34-M36 PolarHBondContact O-N 2.82Å; S34-S37 PolarHBondContact O-N 2.87Å; S34-S37 VanDerWaalsContact O-N 3.15Å; S34-S37 PolarHBondContact O-OG 3.16Å
35E87.5Confident82.2Confident71 Ų7194.4 Ų94.433%0.33255%0.545SS..Hα-helixtrans-58.5-46.2178.3-64.4-68.6148.900111.2T30 S31 Y32 S37 E38T30-E35 WeakPolarHBondContact CB-OE1 3.45Å; T30-E35 VanDerWaalsContact CG2-OE1 3.26Å; T30-E35 WeakPolarHBondContact CG2-OE1 3.33Å; T30-E35 VanDerWaalsContact OG1-CD 3.31Å; T30-E35 WeakPolarHBondContact OG1-CG 3.2Å; T30-E35 PolarHBondContact OG1-OE1 3.06Å; S31-E35 WeakPolarHBondContact O-CG 3.08Å; S31-E35 PolarHBondContact O-N 2.87Å; Y32-E35 PolarHBondContact O-N 2.84Å; E35-S37 PolarHBondContact O-N 3.42Å; E35-E38 PolarHBondContact O-N 3.5Å
36M89.3Confident84.1Confident90 Ų9096 Ų9644%0.44354%0.543SS..Hα-helixtrans-67.9-23.2180-70.6-54.5-5600113.3Y32 S34 E38 V39Y32-M36 HydrophobicContact CD1-CG 4.05Å; Y32-M36 HydrophobicContact CD2-CG 4.08Å; Y32-M36 HydrophobicContact CE1-CB 4.47Å; Y32-M36 HydrophobicContact CE1-CG 3.64Å; Y32-M36 HydrophobicContact CE2-CG 3.68Å; Y32-M36 HydrophobicContact CE2-SD 4.14Å; Y32-M36 HydrophobicContact CG-CG 4.26Å; Y32-M36 VanDerWaalsContact CZ-CG 3.45Å; Y32-M36 WeakPolarHBondContact O-CB 3.28Å; Y32-M36 VanDerWaalsContact O-CG 3.28Å; Y32-M36 WeakPolarHBondContact O-CG 3.47Å; Y32-M36 PolarHBondContact O-N 3.06Å; S34-M36 VanDerWaalsContact C-N 3.34Å; S34-M36 PolarHBondContact O-N 2.82Å; M36-E38 VanDerWaalsContact C-N 3.29Å; M36-V39 HydrophobicContact CE-CG2 3.99Å; M36-V39 HydrophobicContact SD-CG2 4.13Å
37S90.9Very high86Confident92 Ų92102.1 Ų102.164%0.64357%0.571SS**Hα-helixtrans-75.5-17.617675.90000113.8D33 S34 E35D33-S37 WeakPolarHBondContact O-CB 3.44Å; D33-S37 PolarHBondContact O-N 3.2Å; D33-S37 VanDerWaalsContact O-N 3.14Å; S34-S37 PolarHBondContact O-N 2.87Å; S34-S37 VanDerWaalsContact O-N 3.15Å; S34-S37 PolarHBondContact O-OG 3.16Å; E35-S37 PolarHBondContact O-N 3.42Å
38E91.5Very high88.2Confident151 Ų15197.7 Ų97.771%0.70655%0.548SS*.Hα-helixtrans-96.8-9.4-178-65.1-173.6-175.800113.4E35 M36E35-E38 PolarHBondContact O-N 3.5Å; M36-E38 VanDerWaalsContact C-N 3.29Å
39V90.9Very high89.7Confident82 Ų82101.4 Ų101.450%0.49757%0.565SS.*SBendtrans-111.1153.1-176.8-60.10000112.3M36M36-V39 HydrophobicContact CE-CG2 3.99Å; M36-V39 HydrophobicContact SD-CG2 4.13Å
40D91.6Very high91.1Very high146 Ų146103 Ų10378%0.78158%0.578SS**  trans-67.9146.9174.8-75.6-37.5000111.7S42D40-S42 PolarHBondContact O-N 3.23Å; D40-S42 VanDerWaalsContact O-N 3.15Å
41S92.2Very high92.2Very high134 Ų134105.4 Ų105.494%0.93759%0.586SS**SBendtrans-74.21.9176.459.50000114.2
42S94.1Very high92.9Very high89 Ų89107 Ų10762%0.62259%0.592SS**  trans-127117.4179.4-176.10000109.2D40D40-S42 PolarHBondContact O-N 3.23Å; D40-S42 VanDerWaalsContact O-N 3.15Å
43C93.5Very high93.5Very high116 Ų116106 Ų10678%0.78460%0.599SS**  trans-120.7130.8174.1-175.40000108.3
44Q94.5Very high94.2Very high153 Ų153103.7 Ų103.772%0.71559%0.586SS**PPolyproline II helixtrans-68.3131.4175.3-71.2-62.5-50.900109.1
45P95.6Very high94.8Very high110 Ų110102 Ų10271%0.71457%0.572SS**PPolyproline II helixtrans-66.4140.7176.928.4-33.7000110.3
46E96.8Very high95.3Very high161 Ų161101.7 Ų101.775%0.75257%0.572SS**PPolyproline II helixtrans-72.8139.1173.3-68.1-66.5156.800111L48E46-L48 HydrophobicContact CB-CD2 4.5Å; E46-L48 PolarHBondContact O-N 2.87Å
47D96.6Very high95.5Very high167 Ų16798.3 Ų98.389%0.89356%0.555SS**  trans-77.3106.8173.7-75.2-35.1000109.7
48L97.2Very high95.3Very high99 Ų99100.9 Ų100.952%0.51855%0.552SS.*  trans-106.4146.2-179.4-60.8174.1000111.6E46 D52 Q73E46-L48 HydrophobicContact CB-CD2 4.5Å; E46-L48 PolarHBondContact O-N 2.87Å; L48-D52 HydrophobicContact CB-CB 4.44Å; L48-Q73 HydrophobicContact CB-CG 4.01Å; L48-Q73 HydrophobicContact CD1-CG 4.32Å; L48-Q73 VanDerWaalsContact CD1-NE2 3.34Å
49N98.3Very high94.5Very high109 Ų10994.7 Ų94.758%0.58353%0.525SS*.  trans-70.5154.3173.5-137.3-59.2000110.8E51 D52 Q73N49-E51 PolarHBondContact O-N 3.36Å; N49-E51 VanDerWaalsContact O-N 3.1Å; N49-D52 WeakPolarHBondContact CB-OD2 3.48Å; N49-D52 PolarHBondContact N-OD2 2.96Å; N49-D52 PolarHBondContact O-N 3.4Å; N49-Q73 WeakPolarHBondContact O-CG 3.3Å
50C98.1Very high93.3Very high64 Ų6495.8 Ų95.843%0.43254%0.536SS..THydrogen-bonded Turntrans-60.8-27.3-176.759.10000113.5Q73 A74C50-Q73 PolarHBondContact O-N 3.48Å; C50-A74 HydrophobicContact CB-CB 3.66Å; C50-A74 PolarHBondContact O-N 3.28Å; C50-A74 VanDerWaalsContact O-N 3.12Å
51E98.5Very high91.6Very high91 Ų9189.4 Ų89.443%0.42551%0.505SS..THydrogen-bonded Turntrans-106.110.9179.9-67.5-60.9157.100113.7N49 T72 R270N49-E51 PolarHBondContact O-N 3.36Å; N49-E51 VanDerWaalsContact O-N 3.1Å; E51-T72 WeakPolarHBondContact O-CG2 3.39Å; E51-T72 WeakPolarHBondContact OE2-CB 3.35Å; E51-T72 WeakPolarHBondContact OE2-CG2 3.29Å; E51-T72 PolarHBondContact OE2-OG1 2.84Å; E51-R270 IonicContact OE1-CZ 3.92Å; E51-R270 IonicContact OE1-NE 2.76Å; E51-R270 PolarHBondContact OE1-NE 3.38Å; E51-R270 IonicContact OE1-NH2 3.8Å; E51-R270 PolarHBondContact OE1-NH2 2.85Å; E51-R270 IonicContact OE2-CZ 2.8Å; E51-R270 IonicContact OE2-NE 3.37Å; E51-R270 PolarHBondContact OE2-NE 3.06Å; E51-R270 IonicContact OE2-NH2 2.68Å
52D98.4Very high89.6Confident62 Ų6288.1 Ų88.133%0.33250%0.496SS..SBendtrans-65.4144168.6-74.4-23.7000109.7L48 N49 L54 T72 Q73L48-D52 HydrophobicContact CB-CB 4.44Å; N49-D52 WeakPolarHBondContact CB-OD2 3.48Å; N49-D52 PolarHBondContact N-OD2 2.96Å; N49-D52 PolarHBondContact O-N 3.4Å; D52-L54 PolarHBondContact O-N 2.97Å; D52-T72 WeakPolarHBondContact O-CA 3.28Å; D52-T72 WeakPolarHBondContact O-CB 3.18Å; D52-Q73 HydrophobicContact CB-CG 4.08Å; D52-Q73 WeakPolarHBondContact O-CG 3.41Å; D52-Q73 PolarHBondContact O-N 3.47Å
53P98Very high87.6Confident87 Ų8788.9 Ų88.957%0.56550%0.497SS*.EExtended strand (participates in β ladder)trans-59.1129.4175.5-24.734.9000111.5V70 Q73P53-V70 HydrophobicContact CB-CG1 4.05Å; P53-V70 HydrophobicContact CG-CG1 4.44Å; P53-Q73 PolarHBondContact O-NE2 2.7Å
54L98.3Very high85.6Confident45 Ų4585.2 Ų85.224%0.23648%0.479CS..EExtended strand (participates in β ladder)trans-90.1-48.7173175.866000111D52 H71 Q73 Y76 Y113D52-L54 PolarHBondContact O-N 2.97Å; L54-H71 PolarHBondContact N-O 3.44Å; L54-Q73 VanDerWaalsContact CD1-OE1 3.32Å; L54-Y76 HydrophobicContact CD2-CD1 3.48Å; L54-Y76 VanDerWaalsContact CD2-CD1 3.48Å; L54-Y76 HydrophobicContact CD2-CE1 3.96Å; L54-Y76 HydrophobicContact CD2-CG 4.26Å; L54-Y113 HydrophobicContact CD1-CE1 4.34Å; L54-Y113 HydrophobicContact CD2-CE1 4.17Å; L54-Y113 HydrophobicContact CD2-CE2 4.37Å
55F98.5Very high84.3Confident22 Ų2284.5 Ų84.510%0.09648%0.475CS..EExtended strand (participates in β ladder)trans-154.1165.1176.164.8-97.9000112L57 H71 Y76 I105 H108 Y113F55-L57 HydrophobicContact CD2-CB 3.96Å; F55-L57 HydrophobicContact CE2-CB 3.86Å; F55-H71 HydrophobicContact CD1-CB 4.43Å; F55-H71 HydrophobicContact CE1-CB 3.84Å; F55-H71 HydrophobicContact CE2-CB 4.17Å; F55-H71 AromaticContact CE2-CD2 3.58Å; F55-H71 HydrophobicContact CZ-CB 3.7Å; F55-H71 AromaticContact CZ-CD2 3.4Å; F55-H71 WeakPolarHBondContact CZ-CD2 3.45Å; F55-H71 AromaticContact CZ-CG 3.77Å; F55-H71 PolarHBondContact O-N 3.04Å; F55-Y76 HydrophobicContact CE1-CD1 4.09Å; F55-Y76 HydrophobicContact CE1-CD2 4.13Å; F55-Y76 AromaticContact CE1-CE1 3.66Å; F55-Y76 HydrophobicContact CE1-CE1 3.66Å; F55-Y76 AromaticContact CE1-CE2 3.67Å; F55-Y76 HydrophobicContact CE1-CE2 3.67Å; F55-Y76 HydrophobicContact CE1-CG 4.3Å; F55-Y76 AromaticContact CE1-CZ 3.4Å; F55-Y76 VanDerWaalsContact CE1-CZ 3.4Å; F55-Y76 HydrophobicContact CZ-CD2 4.2Å; F55-Y76 HydrophobicContact CZ-CE1 4.38Å; F55-Y76 AromaticContact CZ-CE2 3.57Å; F55-Y76 HydrophobicContact CZ-CE2 3.57Å; F55-Y76 AromaticContact CZ-CZ 3.67Å; F55-I105 HydrophobicContact CE2-CD1 4.07Å; F55-I105 HydrophobicContact CZ-CD1 3.8Å; F55-H108 AromaticContact CD1-CD2 3.96Å; F55-H108 AromaticContact CD2-CD2 3.73Å; F55-H108 AromaticContact CD2-NE2 4Å; F55-H108 AromaticContact CE1-CD2 3.99Å; F55-H108 AromaticContact CE2-CD2 3.72Å; F55-H108 AromaticContact CG-CD2 3.86Å; F55-H108 AromaticContact CZ-CD2 3.86Å; F55-Y113 AromaticContact CD1-CE2 3.96Å; F55-Y113 HydrophobicContact CD1-CE2 3.96Å; F55-Y113 AromaticContact CE1-CE2 3.98Å; F55-Y113 HydrophobicContact CE1-CE2 3.98Å
56I97.5Very high83.3Confident65 Ų6582.5 Ų82.533%0.33346%0.462SS..EExtended strand (participates in β ladder)trans-117.1123.2168.8-56.8166.7000107.4Y58 I69 V70 Y273I56-Y58 HydrophobicContact CG2-CD2 4.32Å; I56-Y58 HydrophobicContact CG2-CE2 3.98Å; I56-I69 WeakPolarHBondContact CA-O 3.49Å; I56-V70 HydrophobicContact CG1-CG2 4.32Å; I56-Y273 HydrophobicContact CD1-CD1 4.12Å; I56-Y273 HydrophobicContact CD1-CD2 3.33Å; I56-Y273 HydrophobicContact CD1-CE1 4.32Å; I56-Y273 HydrophobicContact CD1-CE2 3.57Å; I56-Y273 HydrophobicContact CD1-CG 3.62Å; I56-Y273 HydrophobicContact CG1-CD2 4.16Å; I56-Y273 HydrophobicContact CG1-CG 4.39Å
57L93.7Very high82.6Confident19 Ų1975.8 Ų75.810%0.09943%0.431CS..EExtended strand (participates in β ladder)trans-117.5117.7175.3-171.661.9000110.4F55 T59 I69 I105 T211F55-L57 HydrophobicContact CD2-CB 3.96Å; F55-L57 HydrophobicContact CE2-CB 3.86Å; L57-T59 PolarHBondContact O-N 3.39Å; L57-I69 PolarHBondContact N-O 2.88Å; L57-I69 PolarHBondContact O-N 3.01Å; L57-I105 HydrophobicContact CD2-CB 3.8Å; L57-I105 HydrophobicContact CD2-CD1 4Å; L57-T211 HydrophobicContact CB-CG2 4.46Å; L57-T211 HydrophobicContact CD2-CG2 3.88Å; L57-T211 HydrophobicContact CG-CG2 4.37Å
58Y88.3Confident82.5Confident147 Ų14768 Ų6858%0.57639%0.389SS*.EExtended strand (participates in β ladder)trans-77.8124.1-179.1-78.1-87000111.6I56 P66 K67I56-Y58 HydrophobicContact CG2-CD2 4.32Å; I56-Y58 HydrophobicContact CG2-CE2 3.98Å; Y58-P66 HydrophobicContact CD1-CB 3.76Å; Y58-P66 HydrophobicContact CG-CB 4.49Å; Y58-K67 CarbonylContact C-O 3.59Å; Y58-K67 WeakPolarHBondContact CA-O 3.41Å
59T73.5Confident82.4Confident21 Ų2163.2 Ų63.213%0.12937%0.365CS..EExtended strand (participates in β ladder)trans-110.9151.2174.366.20000111.4L57 G61 P66 K67 I69 T211L57-T59 PolarHBondContact O-N 3.39Å; T59-G61 PolarHBondContact O-N 3.03Å; T59-P66 CarbonylContact O-C 3.5Å; T59-P66 WeakPolarHBondContact O-CA 3.43Å; T59-K67 PolarHBondContact N-O 2.98Å; T59-K67 PolarHBondContact O-N 3.35Å; T59-I69 HydrophobicContact CG2-CG1 3.89Å; T59-T211 HydrophobicContact CG2-CG2 3.44Å; T59-T211 VanDerWaalsContact CG2-CG2 3.44Å
60S66.6Low82.4Confident105 Ų10558.5 Ų58.573%0.73434%0.339SS*.  trans-68.6121172.343.50000109.9
61G54.9Low82.4Confident12 Ų1255.5 Ų55.512%0.12432%0.319CS..  trans-87.6148.6172.400000111.7T59 T63 G64T59-G61 PolarHBondContact O-N 3.03Å; G61-T63 PolarHBondContact O-N 3.36Å; G61-G64 PolarHBondContact O-N 3.28Å
62S50.3Low82.5Confident107 Ų10751.4 Ų51.475%0.74830%0.301SS*.THydrogen-bonded Turntrans-56.7-29.5171.652.20000112.6G64S62-G64 VanDerWaalsContact C-N 3.26Å; S62-G64 PolarHBondContact O-N 2.87Å
63T52.6Low82.5Confident105 Ų10550.5 Ų50.564%0.64429%0.294SS*.THydrogen-bonded Turntrans-81.13.8178.6650000114.4G61 Q65 R278G61-T63 PolarHBondContact O-N 3.36Å; T63-Q65 VanDerWaalsContact C-N 3.35Å; T63-Q65 PolarHBondContact O-N 3.47Å; T63-R278 PolarHBondContact OG1-NH2 2.94Å
64G52Low82.5Confident39 Ų3948.7 Ų48.740%0.40229%0.287SS..SBendtrans88.9-25.7173.800000115.9G61 S62G61-G64 PolarHBondContact O-N 3.28Å; S62-G64 VanDerWaalsContact C-N 3.26Å; S62-G64 PolarHBondContact O-N 2.87Å
65Q67.2Low82.5Confident137 Ų13747.1 Ų47.164%0.6428%0.281SS*.SBendtrans-88.7130.2171.9-69.2-62.2-28.200110.8T63 R278T63-Q65 VanDerWaalsContact C-N 3.35Å; T63-Q65 PolarHBondContact O-N 3.47Å; Q65-R278 PolarHBondContact O-NH1 3.15Å; Q65-R278 PolarHBondContact O-NH2 3.47Å
66P73.4Confident82.5Confident69 Ų6946.1 Ų46.145%0.44828%0.276SS..  trans-54150.8174.9-27.336000113Y58 T59 R278Y58-P66 HydrophobicContact CD1-CB 3.76Å; Y58-P66 HydrophobicContact CG-CB 4.49Å; T59-P66 CarbonylContact O-C 3.5Å; T59-P66 WeakPolarHBondContact O-CA 3.43Å; P66-R278 PolarHBondContact O-NH1 3.08Å
67K83.4Confident82.6Confident20 Ų2046.6 Ų46.69%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-110.8117.7174.2-67.4176.9-65.5173.20108.1Y58 T59 I69 E212 V272 Y283Y58-K67 CarbonylContact C-O 3.59Å; Y58-K67 WeakPolarHBondContact CA-O 3.41Å; T59-K67 PolarHBondContact N-O 2.98Å; T59-K67 PolarHBondContact O-N 3.35Å; K67-I69 HydrophobicContact CB-CD1 4.13Å; K67-I69 PolarHBondContact O-N 3.05Å; K67-I69 VanDerWaalsContact O-N 3.16Å; K67-E212 IonicContact NZ-OE1 3.81Å; K67-V272 HydrophobicContact CB-CG1 4.24Å; K67-V272 HydrophobicContact CB-CG2 4.34Å; K67-Y283 PolarHBondContact NZ-OH 3.05Å
68G92.8Very high82.8Confident2 Ų250.3 Ų50.32%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-77.495.2173.300000110.1V272 Y273G68-V272 CarbonylContact O-C 3.51Å; G68-V272 WeakPolarHBondContact O-CA 3.46Å; G68-Y273 WeakPolarHBondContact O-CB 3.47Å; G68-Y273 PolarHBondContact O-N 3.11Å
69I96Very high83.3Confident0 Ų043.7 Ų43.70%027%0.273CS..EExtended strand (participates in β ladder)trans-73.2128.3179.7-57.3-55.4000109.3I56 L57 T59 K67 T211 E212 A269 V272I56-I69 WeakPolarHBondContact CA-O 3.49Å; L57-I69 PolarHBondContact N-O 2.88Å; L57-I69 PolarHBondContact O-N 3.01Å; T59-I69 HydrophobicContact CG2-CG1 3.89Å; K67-I69 HydrophobicContact CB-CD1 4.13Å; K67-I69 PolarHBondContact O-N 3.05Å; K67-I69 VanDerWaalsContact O-N 3.16Å; I69-T211 HydrophobicContact CB-CG2 4.18Å; I69-T211 HydrophobicContact CG1-CG2 4.13Å; I69-T211 HydrophobicContact CG2-CG2 4.31Å; I69-E212 HydrophobicContact CD1-CG 3.79Å; I69-E212 HydrophobicContact CG1-CG 4.09Å; I69-E212 HydrophobicContact CG2-CG 4.22Å; I69-A269 HydrophobicContact CG2-CB 3.48Å; I69-A269 VanDerWaalsContact CG2-CB 3.48Å; I69-V272 HydrophobicContact CD1-CG2 4.09Å
70V98.5Very high84.5Confident9 Ų942.7 Ų42.76%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-103.9124.5-178.8-174.10000110.5P53 I56 A269 R270 T271 Y273P53-V70 HydrophobicContact CB-CG1 4.05Å; P53-V70 HydrophobicContact CG-CG1 4.44Å; I56-V70 HydrophobicContact CG1-CG2 4.32Å; V70-A269 WeakPolarHBondContact O-CA 3.41Å; V70-R270 PolarHBondContact O-N 3.27Å; V70-T271 HydrophobicContact CB-CG2 3.83Å; V70-T271 HydrophobicContact CG1-CG2 4.44Å; V70-T271 HydrophobicContact CG2-CG2 3.69Å; V70-T271 PolarHBondContact N-O 3.14Å; V70-Y273 HydrophobicContact CG2-CD2 4.37Å
71H98.8Very high86Confident1 Ų141 Ų411%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-110.3150.9168.7-78.6-74.2000110.5L54 F55 Y76 T211 G267 A269L54-H71 PolarHBondContact N-O 3.44Å; F55-H71 HydrophobicContact CD1-CB 4.43Å; F55-H71 HydrophobicContact CE1-CB 3.84Å; F55-H71 HydrophobicContact CE2-CB 4.17Å; F55-H71 AromaticContact CE2-CD2 3.58Å; F55-H71 HydrophobicContact CZ-CB 3.7Å; F55-H71 AromaticContact CZ-CD2 3.4Å; F55-H71 WeakPolarHBondContact CZ-CD2 3.45Å; F55-H71 AromaticContact CZ-CG 3.77Å; F55-H71 PolarHBondContact O-N 3.04Å; H71-Y76 HydrophobicContact CB-CD2 3.8Å; H71-Y76 HydrophobicContact CB-CE2 4.43Å; H71-Y76 HydrophobicContact CB-CG 4.13Å; H71-Y76 AromaticContact CG-CD2 3.58Å; H71-Y76 AromaticContact ND1-CD2 3.53Å; H71-T211 PolarHBondContact NE2-O 3.36Å; H71-G267 PolarHBondContact CE1-O 2.94Å; H71-G267 PolarHBondContact ND1-O 3.44Å; H71-A269 PolarHBondContact CE1-N 3.39Å
72T98.7Very high88.1Confident6 Ų641.9 Ų41.94%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-111162.2-177.354.10000112.7E51 D52 Y76 R270E51-T72 WeakPolarHBondContact O-CG2 3.39Å; E51-T72 WeakPolarHBondContact OE2-CB 3.35Å; E51-T72 WeakPolarHBondContact OE2-CG2 3.29Å; E51-T72 PolarHBondContact OE2-OG1 2.84Å; D52-T72 WeakPolarHBondContact O-CA 3.28Å; D52-T72 WeakPolarHBondContact O-CB 3.18Å; T72-Y76 WeakPolarHBondContact O-CB 3.13Å; T72-R270 HydrophobicContact CG2-CB 4.19Å; T72-R270 HydrophobicContact CG2-CG 3.48Å; T72-R270 VanDerWaalsContact CG2-CG 3.48Å; T72-R270 PolarHBondContact OG1-NE 3.39Å
73Q98.6Very high90.4Very high43 Ų4336.8 Ų36.820%0.20121%0.212CC..Hα-helixtrans-50.2-73.7-168.9-62.2-62-26.500114.6L48 N49 C50 D52 P53 L54 L77L48-Q73 HydrophobicContact CB-CG 4.01Å; L48-Q73 HydrophobicContact CD1-CG 4.32Å; L48-Q73 VanDerWaalsContact CD1-NE2 3.34Å; N49-Q73 WeakPolarHBondContact O-CG 3.3Å; C50-Q73 PolarHBondContact O-N 3.48Å; D52-Q73 HydrophobicContact CB-CG 4.08Å; D52-Q73 WeakPolarHBondContact O-CG 3.41Å; D52-Q73 PolarHBondContact O-N 3.47Å; P53-Q73 PolarHBondContact O-NE2 2.7Å; L54-Q73 VanDerWaalsContact CD1-OE1 3.32Å; Q73-L77 WeakPolarHBondContact O-CB 3.05Å; Q73-L77 PolarHBondContact O-N 3.5Å
74A98.4Very high92.6Very high49 Ų4931.8 Ų31.841%0.40518%0.181SC..Hα-helixtrans-77.5-44.4-161.300000112.6C50 L77 L78C50-A74 HydrophobicContact CB-CB 3.66Å; C50-A74 PolarHBondContact O-N 3.28Å; C50-A74 VanDerWaalsContact O-N 3.12Å; A74-L77 PolarHBondContact O-N 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.35Å; A74-L78 PolarHBondContact O-N 2.93Å
75G98.5Very high94.8Very high11 Ų1134.9 Ų34.911%0.11318%0.181CC..Hα-helixtrans-63.7-43-177.400000112.4Y79 P266 G267G75-Y79 WeakPolarHBondContact O-CB 3.2Å; G75-Y79 PolarHBondContact O-N 2.75Å; G75-Y79 VanDerWaalsContact O-N 3.11Å; G75-P266 CarbonylContact C-O 3.3Å; G75-P266 VanDerWaalsContact C-O 3.28Å; G75-P266 WeakPolarHBondContact CA-O 3.15Å; G75-P266 CarbonylContact O-C 3.28Å; G75-P266 WeakPolarHBondContact O-CB 3.48Å; G75-G267 PolarHBondContact O-N 2.88Å
76Y98.8Very high96.3Very high1 Ų134.1 Ų34.10%0.00417%0.173CC..Hα-helixtrans-64.1-52.5175.9177.2-91.6000111.7L54 F55 H71 T72 L78 Y79 A80 I105 H108 S109 Y113L54-Y76 HydrophobicContact CD2-CD1 3.48Å; L54-Y76 VanDerWaalsContact CD2-CD1 3.48Å; L54-Y76 HydrophobicContact CD2-CE1 3.96Å; L54-Y76 HydrophobicContact CD2-CG 4.26Å; F55-Y76 HydrophobicContact CE1-CD1 4.09Å; F55-Y76 HydrophobicContact CE1-CD2 4.13Å; F55-Y76 AromaticContact CE1-CE1 3.66Å; F55-Y76 HydrophobicContact CE1-CE1 3.66Å; F55-Y76 AromaticContact CE1-CE2 3.67Å; F55-Y76 HydrophobicContact CE1-CE2 3.67Å; F55-Y76 HydrophobicContact CE1-CG 4.3Å; F55-Y76 AromaticContact CE1-CZ 3.4Å; F55-Y76 VanDerWaalsContact CE1-CZ 3.4Å; F55-Y76 HydrophobicContact CZ-CD2 4.2Å; F55-Y76 HydrophobicContact CZ-CE1 4.38Å; F55-Y76 AromaticContact CZ-CE2 3.57Å; F55-Y76 HydrophobicContact CZ-CE2 3.57Å; F55-Y76 AromaticContact CZ-CZ 3.67Å; H71-Y76 HydrophobicContact CB-CD2 3.8Å; H71-Y76 HydrophobicContact CB-CE2 4.43Å; H71-Y76 HydrophobicContact CB-CG 4.13Å; H71-Y76 AromaticContact CG-CD2 3.58Å; H71-Y76 AromaticContact ND1-CD2 3.53Å; T72-Y76 WeakPolarHBondContact O-CB 3.13Å; Y76-L78 PolarHBondContact O-N 2.98Å; Y76-Y79 PolarHBondContact O-N 2.61Å; Y76-A80 HydrophobicContact CE1-CB 4.41Å; Y76-A80 WeakPolarHBondContact O-CB 3.39Å; Y76-A80 PolarHBondContact O-N 3.18Å; Y76-I105 HydrophobicContact CE2-CD1 4.31Å; Y76-H108 WeakPolarHBondContact OH-CB 3.48Å; Y76-S109 WeakPolarHBondContact OH-CA 3.27Å; Y76-S109 PolarHBondContact OH-N 2.98Å; Y76-S109 PolarHBondContact OH-OG 3.3Å; Y76-Y113 AromaticContact CE1-CD2 3.42Å; Y76-Y113 HydrophobicContact CE1-CD2 3.42Å; Y76-Y113 VanDerWaalsContact CE1-CD2 3.42Å; Y76-Y113 AromaticContact CE1-CE2 3.94Å; Y76-Y113 HydrophobicContact CE1-CE2 3.94Å; Y76-Y113 AromaticContact CE1-CG 3.84Å; Y76-Y113 HydrophobicContact CE1-CG 3.84Å; Y76-Y113 AromaticContact CZ-CD2 3.93Å; Y76-Y113 WeakPolarHBondContact OH-CD2 3.35Å
77L98.7Very high97.5Very high76 Ų7630.8 Ų30.840%0.39815%0.152SC..Hα-helixtrans-62.1-44-176.5-174.562.9000111.5Q73 A74 Y79 A80 Y81 A117Q73-L77 WeakPolarHBondContact O-CB 3.05Å; Q73-L77 PolarHBondContact O-N 3.5Å; A74-L77 PolarHBondContact O-N 3.28Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.89Å; L77-A80 PolarHBondContact O-N 3.19Å; L77-Y81 VanDerWaalsContact O-CB 3.25Å; L77-Y81 WeakPolarHBondContact O-CB 3.27Å; L77-Y81 PolarHBondContact O-N 2.81Å; L77-A117 HydrophobicContact CD1-CB 3.88Å
78L98.7Very high98.2Very high97 Ų9729.9 Ų29.951%0.50815%0.148SC..Hα-helixtrans-55.9-50.1174.7175.662.7000110.7A74 Y76 Y81 T82 P266A74-L78 WeakPolarHBondContact O-CB 3.35Å; A74-L78 PolarHBondContact O-N 2.93Å; Y76-L78 PolarHBondContact O-N 2.98Å; L78-Y81 PolarHBondContact O-N 3.45Å; L78-T82 VanDerWaalsContact O-CB 3.31Å; L78-T82 WeakPolarHBondContact O-CB 3.19Å; L78-T82 PolarHBondContact O-N 2.86Å; L78-T82 PolarHBondContact O-OG1 2.84Å; L78-P266 HydrophobicContact CD2-CB 4.47Å
79Y98.7Very high98.4Very high7 Ų733.1 Ų33.13%0.02717%0.165CC..Hα-helixtrans-68.9-40.9-176.1-154.4-114.9000112.6G75 Y76 L77 T82 T83 H216 M217 F236 V239 W265 P266G75-Y79 WeakPolarHBondContact O-CB 3.2Å; G75-Y79 PolarHBondContact O-N 2.75Å; G75-Y79 VanDerWaalsContact O-N 3.11Å; Y76-Y79 PolarHBondContact O-N 2.61Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.89Å; Y79-T82 PolarHBondContact O-N 3.37Å; Y79-T83 HydrophobicContact CD1-CG2 4.05Å; Y79-T83 HydrophobicContact CE1-CG2 3.84Å; Y79-T83 HydrophobicContact CE2-CG2 4.44Å; Y79-T83 HydrophobicContact CG-CG2 4.43Å; Y79-T83 WeakPolarHBondContact O-CB 3.47Å; Y79-T83 VanDerWaalsContact O-CG2 3.3Å; Y79-T83 WeakPolarHBondContact O-CG2 3.47Å; Y79-T83 PolarHBondContact O-N 3.32Å; Y79-T83 PolarHBondContact O-OG1 3.33Å; Y79-H216 PolarHBondContact OH-O 3.13Å; Y79-M217 HydrophobicContact CE1-SD 4.25Å; Y79-F236 HydrophobicContact CE2-CD1 4.28Å; Y79-V239 WeakPolarHBondContact OH-CG2 3.31Å; Y79-W265 AromaticContact CE1-CD1 3.68Å; Y79-W265 HydrophobicContact CE2-CB 4.41Å; Y79-W265 AromaticContact CZ-CD1 3.85Å; Y79-P266 HydrophobicContact CD2-CB 4.24Å; Y79-P266 HydrophobicContact CD2-CG 4.23Å
80A98.8Very high98.5Very high0 Ų033.9 Ų33.90%017%0.168CC..Hα-helixtrans-60.9-46.6174.700000111.2Y76 L77 T83 F84Y76-A80 HydrophobicContact CE1-CB 4.41Å; Y76-A80 WeakPolarHBondContact O-CB 3.39Å; Y76-A80 PolarHBondContact O-N 3.18Å; L77-A80 PolarHBondContact O-N 3.19Å; A80-T83 PolarHBondContact O-OG1 3.33Å; A80-F84 WeakPolarHBondContact O-CB 3.31Å; A80-F84 PolarHBondContact O-N 3.35Å
81Y98.6Very high98.5Very high70 Ų7038.1 Ų38.128%0.27519%0.187SC..Hα-helixtrans-58.9-51.7174.4168.7-97.6000112.1L77 L78 F84 R85 A117 A118L77-Y81 VanDerWaalsContact O-CB 3.25Å; L77-Y81 WeakPolarHBondContact O-CB 3.27Å; L77-Y81 PolarHBondContact O-N 2.81Å; L78-Y81 PolarHBondContact O-N 3.45Å; Y81-F84 PolarHBondContact O-N 2.89Å; Y81-R85 WeakPolarHBondContact O-CB 3.48Å; Y81-R85 PolarHBondContact O-N 3.35Å; Y81-R85 PolarHBondContact OH-NH1 2.9Å; Y81-A117 HydrophobicContact CD2-CB 4.04Å; Y81-A118 HydrophobicContact CD2-CB 4.04Å; Y81-A118 HydrophobicContact CE2-CB 3.98Å
82T98.7Very high98.3Very high30 Ų3045.8 Ų45.818%0.18423%0.229CC..Hα-helixtrans-64.6-46.7-176-62.60000111.7L78 Y79 R85 Y86 F236L78-T82 VanDerWaalsContact O-CB 3.31Å; L78-T82 WeakPolarHBondContact O-CB 3.19Å; L78-T82 PolarHBondContact O-N 2.86Å; L78-T82 PolarHBondContact O-OG1 2.84Å; Y79-T82 PolarHBondContact O-N 3.37Å; T82-R85 PolarHBondContact O-N 2.89Å; T82-Y86 HydrophobicContact CG2-CD2 3.64Å; T82-Y86 HydrophobicContact CG2-CE2 3.74Å; T82-Y86 VanDerWaalsContact O-CD2 3.24Å; T82-Y86 WeakPolarHBondContact O-CD2 3.44Å; T82-Y86 PolarHBondContact O-N 3.23Å; T82-Y86 VanDerWaalsContact O-N 3.1Å; T82-F236 HydrophobicContact CG2-CE1 3.95Å; T82-F236 HydrophobicContact CG2-CZ 4.06Å
83T98.7Very high98.2Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-64.6-43.9177.353.20000111.5Y79 A80 V87 Y110 H216 F236Y79-T83 HydrophobicContact CD1-CG2 4.05Å; Y79-T83 HydrophobicContact CE1-CG2 3.84Å; Y79-T83 HydrophobicContact CE2-CG2 4.44Å; Y79-T83 HydrophobicContact CG-CG2 4.43Å; Y79-T83 WeakPolarHBondContact O-CB 3.47Å; Y79-T83 VanDerWaalsContact O-CG2 3.3Å; Y79-T83 WeakPolarHBondContact O-CG2 3.47Å; Y79-T83 PolarHBondContact O-N 3.32Å; Y79-T83 PolarHBondContact O-OG1 3.33Å; A80-T83 PolarHBondContact O-OG1 3.33Å; T83-V87 WeakPolarHBondContact O-CB 3.5Å; T83-V87 VanDerWaalsContact O-CG2 3.31Å; T83-V87 WeakPolarHBondContact O-CG2 3.43Å; T83-V87 PolarHBondContact O-N 3.31Å; T83-Y110 WeakPolarHBondContact CB-OH 3.07Å; T83-Y110 PolarHBondContact OG1-OH 2.93Å; T83-H216 HydrophobicContact CG2-CB 3.97Å; T83-F236 HydrophobicContact CG2-CD1 3.48Å; T83-F236 VanDerWaalsContact CG2-CD1 3.48Å; T83-F236 HydrophobicContact CG2-CE1 3.32Å; T83-F236 HydrophobicContact CG2-CG 4.24Å; T83-F236 HydrophobicContact CG2-CZ 3.97Å
84F98.7Very high98.1Very high0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-57.8-51.7176.4174.4-107.7000111.2A80 Y81 Y86 F88 I90 Y96 Y110 G114 P115 A118 C120A80-F84 WeakPolarHBondContact O-CB 3.31Å; A80-F84 PolarHBondContact O-N 3.35Å; Y81-F84 PolarHBondContact O-N 2.89Å; F84-Y86 PolarHBondContact O-N 3.48Å; F84-F88 AromaticContact CD2-CD2 3.82Å; F84-F88 HydrophobicContact CD2-CD2 3.82Å; F84-F88 HydrophobicContact CD2-CE2 4.37Å; F84-F88 HydrophobicContact CE2-CD2 4.27Å; F84-F88 WeakPolarHBondContact O-CB 3.47Å; F84-F88 PolarHBondContact O-N 3.16Å; F84-I90 HydrophobicContact CD1-CG1 3.96Å; F84-I90 HydrophobicContact CD2-CG1 4.47Å; F84-I90 HydrophobicContact CE1-CB 4.14Å; F84-I90 HydrophobicContact CE1-CD1 3.92Å; F84-I90 HydrophobicContact CE1-CG1 3.54Å; F84-I90 HydrophobicContact CE1-CG2 3.87Å; F84-I90 HydrophobicContact CE2-CD1 3.93Å; F84-I90 HydrophobicContact CE2-CG1 4.11Å; F84-I90 HydrophobicContact CG-CG1 4.41Å; F84-I90 HydrophobicContact CZ-CD1 3.48Å; F84-I90 VanDerWaalsContact CZ-CD1 3.48Å; F84-I90 HydrophobicContact CZ-CG1 3.63Å; F84-I90 HydrophobicContact CZ-CG2 4.35Å; F84-Y96 HydrophobicContact CD2-CE2 4.35Å; F84-Y96 AromaticContact CE2-CD1 3.91Å; F84-Y96 HydrophobicContact CE2-CD1 3.91Å; F84-Y96 AromaticContact CE2-CD2 3.59Å; F84-Y96 HydrophobicContact CE2-CD2 3.59Å; F84-Y96 AromaticContact CE2-CE1 3.96Å; F84-Y96 HydrophobicContact CE2-CE1 3.96Å; F84-Y96 AromaticContact CE2-CE2 3.66Å; F84-Y96 HydrophobicContact CE2-CE2 3.66Å; F84-Y96 AromaticContact CE2-CG 3.71Å; F84-Y96 HydrophobicContact CE2-CG 3.71Å; F84-Y96 AromaticContact CE2-CZ 3.8Å; F84-Y96 HydrophobicContact CZ-CD1 4.34Å; F84-Y96 HydrophobicContact CZ-CD2 4.16Å; F84-Y96 AromaticContact CZ-CG 4Å; F84-Y96 HydrophobicContact CZ-CG 4Å; F84-Y110 HydrophobicContact CB-CD1 4.14Å; F84-Y110 HydrophobicContact CB-CE1 4.1Å; F84-Y110 HydrophobicContact CD2-CD1 4.19Å; F84-G114 WeakPolarHBondContact CD1-O 3.48Å; F84-P115 HydrophobicContact CD2-CG 4.15Å; F84-P115 HydrophobicContact CE1-CB 4.27Å; F84-P115 HydrophobicContact CE1-CG 4.43Å; F84-P115 HydrophobicContact CE2-CB 4.27Å; F84-P115 HydrophobicContact CE2-CG 3.7Å; F84-P115 HydrophobicContact CZ-CB 3.9Å; F84-P115 HydrophobicContact CZ-CG 3.85Å; F84-A118 HydrophobicContact CD1-CB 3.79Å; F84-A118 HydrophobicContact CE1-CB 3.72Å; F84-C120 HydrophobicContact CE1-CB 3.8Å; F84-C120 HydrophobicContact CZ-CB 3.94Å
85R97.9Very high98.2Very high105 Ų10548.3 Ų48.340%0.39624%0.237SC..Hα-helixtrans-61.3-47.6-176.4-170.1175.5-176.8164.94.9112.6Y81 T82 D89 I90Y81-R85 WeakPolarHBondContact O-CB 3.48Å; Y81-R85 PolarHBondContact O-N 3.35Å; Y81-R85 PolarHBondContact OH-NH1 2.9Å; T82-R85 PolarHBondContact O-N 2.89Å; R85-D89 VanDerWaalsContact O-CA 3.31Å; R85-D89 WeakPolarHBondContact O-CA 3.46Å; R85-D89 PolarHBondContact O-N 3.28Å; R85-D89 VanDerWaalsContact O-N 3.12Å; R85-I90 PolarHBondContact O-N 3.45Å
86Y98.2Very high98.2Very high120 Ų12047.9 Ų47.947%0.47123%0.232SC..Hα-helixtrans-85.9-38-174-66.9-54.9000114T82 F84 D89 F236 F237T82-Y86 HydrophobicContact CG2-CD2 3.64Å; T82-Y86 HydrophobicContact CG2-CE2 3.74Å; T82-Y86 VanDerWaalsContact O-CD2 3.24Å; T82-Y86 WeakPolarHBondContact O-CD2 3.44Å; T82-Y86 PolarHBondContact O-N 3.23Å; T82-Y86 VanDerWaalsContact O-N 3.1Å; F84-Y86 PolarHBondContact O-N 3.48Å; Y86-D89 PolarHBondContact O-N 2.99Å; Y86-F236 HydrophobicContact CD2-CZ 4.12Å; Y86-F237 AromaticContact CD2-CD2 3.99Å; Y86-F237 HydrophobicContact CD2-CD2 3.99Å; Y86-F237 AromaticContact CD2-CE2 3.62Å; Y86-F237 HydrophobicContact CD2-CE2 3.62Å; Y86-F237 HydrophobicContact CE2-CD2 4.33Å; Y86-F237 HydrophobicContact CE2-CE2 4.02Å; Y86-F237 AromaticContact CG-CE2 3.94Å; Y86-F237 HydrophobicContact CG-CE2 3.94Å
87V98.5Very high98.2Very high0 Ų047.8 Ų47.80%023%0.232CC..Hα-helixtrans-71.4-35.7-179.6174.90000111.1T83 V205 T207 H216 S219 L221 P222 F236T83-V87 WeakPolarHBondContact O-CB 3.5Å; T83-V87 VanDerWaalsContact O-CG2 3.31Å; T83-V87 WeakPolarHBondContact O-CG2 3.43Å; T83-V87 PolarHBondContact O-N 3.31Å; V87-V205 HydrophobicContact CG1-CB 3.97Å; V87-V205 HydrophobicContact CG1-CG1 4.18Å; V87-V205 HydrophobicContact CG1-CG2 3.97Å; V87-T207 HydrophobicContact CG1-CG2 3.87Å; V87-H216 HydrophobicContact CG2-CB 4.28Å; V87-H216 WeakPolarHBondContact CG2-ND1 3.44Å; V87-S219 VanDerWaalsContact CG1-OG 3.26Å; V87-S219 WeakPolarHBondContact CG1-OG 3.29Å; V87-L221 HydrophobicContact CB-CD2 4.46Å; V87-L221 HydrophobicContact CG2-CD2 3.87Å; V87-P222 WeakPolarHBondContact O-CD 3.44Å; V87-P222 VanDerWaalsContact O-CG 3.29Å; V87-P222 WeakPolarHBondContact O-CG 3.46Å; V87-F236 HydrophobicContact CG2-CD2 3.73Å; V87-F236 HydrophobicContact CG2-CE2 3.58Å; V87-F236 HydrophobicContact CG2-CZ 4.43Å
88F98.5Very high98.1Very high0 Ų044.5 Ų44.50%022%0.215CC..THydrogen-bonded Turntrans-95.5-0.5176.3-65.4-69.2000113.9F84 I90 Y96 Y110 K148 Y150 V177 V205 H216F84-F88 AromaticContact CD2-CD2 3.82Å; F84-F88 HydrophobicContact CD2-CD2 3.82Å; F84-F88 HydrophobicContact CD2-CE2 4.37Å; F84-F88 HydrophobicContact CE2-CD2 4.27Å; F84-F88 WeakPolarHBondContact O-CB 3.47Å; F84-F88 PolarHBondContact O-N 3.16Å; F88-I90 HydrophobicContact CB-CD1 3.76Å; F88-I90 HydrophobicContact CB-CG1 3.83Å; F88-Y96 HydrophobicContact CD1-CE2 4.06Å; F88-Y96 AromaticContact CD2-CE2 3.8Å; F88-Y96 HydrophobicContact CD2-CE2 3.8Å; F88-Y96 HydrophobicContact CE1-CE2 4.14Å; F88-Y96 AromaticContact CE2-CE2 3.87Å; F88-Y96 HydrophobicContact CE2-CE2 3.87Å; F88-Y96 HydrophobicContact CG-CD2 4.46Å; F88-Y96 AromaticContact CG-CE2 3.9Å; F88-Y96 HydrophobicContact CG-CE2 3.9Å; F88-Y96 HydrophobicContact CZ-CE2 4.05Å; F88-Y110 HydrophobicContact CE2-CD1 4.33Å; F88-K148 WeakPolarHBondContact O-CD 3.37Å; F88-K148 WeakPolarHBondContact O-CE 3.41Å; F88-Y150 HydrophobicContact CE1-CD2 4.06Å; F88-Y150 HydrophobicContact CE1-CE2 4.48Å; F88-Y150 HydrophobicContact CE1-CG 4.11Å; F88-Y150 HydrophobicContact CE2-CD1 4.38Å; F88-Y150 HydrophobicContact CE2-CE1 4.45Å; F88-Y150 AromaticContact CZ-CD1 3.77Å; F88-Y150 HydrophobicContact CZ-CD1 3.77Å; F88-Y150 AromaticContact CZ-CD2 3.71Å; F88-Y150 HydrophobicContact CZ-CD2 3.71Å; F88-Y150 AromaticContact CZ-CE1 3.96Å; F88-Y150 HydrophobicContact CZ-CE1 3.96Å; F88-Y150 AromaticContact CZ-CE2 3.86Å; F88-Y150 HydrophobicContact CZ-CE2 3.86Å; F88-Y150 AromaticContact CZ-CG 3.61Å; F88-Y150 HydrophobicContact CZ-CG 3.61Å; F88-Y150 AromaticContact CZ-CZ 3.98Å; F88-V177 HydrophobicContact CD1-CG1 4.16Å; F88-V205 HydrophobicContact CD1-CG2 4.06Å; F88-V205 HydrophobicContact CE1-CG2 3.73Å; F88-H216 AromaticContact CE2-CE1 3.6Å
89D98.1Very high98Very high71 Ų7141.1 Ų41.138%0.3820%0.198SC..THydrogen-bonded Turntrans52.454.4-178.3-169.645.1000112.3R85 Y86 H91 K148 P222R85-D89 VanDerWaalsContact O-CA 3.31Å; R85-D89 WeakPolarHBondContact O-CA 3.46Å; R85-D89 PolarHBondContact O-N 3.28Å; R85-D89 VanDerWaalsContact O-N 3.12Å; Y86-D89 PolarHBondContact O-N 2.99Å; D89-H91 PolarHBondContact O-ND1 3.44Å; D89-H91 IonicContact OD1-CE1 3.51Å; D89-H91 PolarHBondContact OD1-CE1 2.67Å; D89-H91 IonicContact OD2-CE1 2.81Å; D89-K148 VanDerWaalsContact O-CE 3.28Å; D89-K148 WeakPolarHBondContact O-CE 3.35Å; D89-P222 HydrophobicContact CB-CB 4.24Å; D89-P222 HydrophobicContact CB-CG 4.37Å
90I98.1Very high97.6Very high15 Ų1542.1 Ų42.18%0.07721%0.208CC..  trans-78.8129.2-171.7-60-72.5000111.3F84 R85 F88 D94 Y96 C120 K148F84-I90 HydrophobicContact CD1-CG1 3.96Å; F84-I90 HydrophobicContact CD2-CG1 4.47Å; F84-I90 HydrophobicContact CE1-CB 4.14Å; F84-I90 HydrophobicContact CE1-CD1 3.92Å; F84-I90 HydrophobicContact CE1-CG1 3.54Å; F84-I90 HydrophobicContact CE1-CG2 3.87Å; F84-I90 HydrophobicContact CE2-CD1 3.93Å; F84-I90 HydrophobicContact CE2-CG1 4.11Å; F84-I90 HydrophobicContact CG-CG1 4.41Å; F84-I90 HydrophobicContact CZ-CD1 3.48Å; F84-I90 VanDerWaalsContact CZ-CD1 3.48Å; F84-I90 HydrophobicContact CZ-CG1 3.63Å; F84-I90 HydrophobicContact CZ-CG2 4.35Å; R85-I90 PolarHBondContact O-N 3.45Å; F88-I90 HydrophobicContact CB-CD1 3.76Å; F88-I90 HydrophobicContact CB-CG1 3.83Å; I90-D94 WeakPolarHBondContact CA-OD2 3.21Å; I90-Y96 HydrophobicContact CD1-CD2 4.19Å; I90-C120 HydrophobicContact CG2-CB 4.11Å; I90-K148 HydrophobicContact CD1-CG 3.92Å
91H97.2Very high97.1Very high98 Ų9847 Ų4745%0.45423%0.234SC..  trans-119.8165.7174.2-64.976.6000111.1D89 D93 D94D89-H91 PolarHBondContact O-ND1 3.44Å; D89-H91 IonicContact OD1-CE1 3.51Å; D89-H91 PolarHBondContact OD1-CE1 2.67Å; D89-H91 IonicContact OD2-CE1 2.81Å; H91-D93 PolarHBondContact O-N 3.29Å; H91-D94 PolarHBondContact N-OD2 2.84Å; H91-D94 IonicContact ND1-OD2 3.93Å; H91-D94 WeakPolarHBondContact O-CB 3.36Å; H91-D94 PolarHBondContact O-N 3.08Å; H91-D94 VanDerWaalsContact O-N 3.12Å
92D95.1Very high96.8Very high163 Ų16348.2 Ų48.287%0.87225%0.245SC*.THydrogen-bonded Turntrans-62.3-26.8-171.2-62.5-12.1000113.9
93D96.1Very high96.3Very high118 Ų11848.8 Ų48.863%0.63126%0.257SS*.THydrogen-bonded Turntrans-96.75.9-179.566.6-39.4000114H91H91-D93 PolarHBondContact O-N 3.29Å
94D98.3Very high95.6Very high6 Ų654.9 Ų54.93%0.03228%0.28CS..  trans-74141.9179.6-82.3-46.7000113.3I90 H91 T147 K148I90-D94 WeakPolarHBondContact CA-OD2 3.21Å; H91-D94 PolarHBondContact N-OD2 2.84Å; H91-D94 IonicContact ND1-OD2 3.93Å; H91-D94 WeakPolarHBondContact O-CB 3.36Å; H91-D94 PolarHBondContact O-N 3.08Å; H91-D94 VanDerWaalsContact O-N 3.12Å; D94-T147 WeakPolarHBondContact CB-OG1 3.22Å; D94-T147 WeakPolarHBondContact OD1-CB 3.49Å; D94-T147 PolarHBondContact OD1-OG1 3Å; D94-K148 IonicContact OD1-NZ 3.64Å; D94-K148 PolarHBondContact OD1-NZ 3.25Å; D94-K148 WeakPolarHBondContact OD2-CE 3.42Å; D94-K148 IonicContact OD2-NZ 2.69Å; D94-K148 PolarHBondContact OD2-NZ 3.38Å
95V98.5Very high95.4Very high27 Ų2755.4 Ų55.416%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-112.6114.8168.3-178.60000108.1T121 V123 V146 T147 K148V95-T121 HydrophobicContact CG1-CG2 4.44Å; V95-T121 HydrophobicContact CG2-CG2 4.46Å; V95-V123 HydrophobicContact CG1-CG2 4.2Å; V95-V146 HydrophobicContact CG1-CG2 4.07Å; V95-V146 WeakPolarHBondContact O-CA 3.45Å; V95-V146 WeakPolarHBondContact O-CG1 3.38Å; V95-T147 PolarHBondContact N-OG1 3.07Å; V95-T147 VanDerWaalsContact N-OG1 3.15Å; V95-T147 PolarHBondContact O-N 3.14Å; V95-T147 PolarHBondContact O-OG1 2.88Å; V95-K148 PolarHBondContact O-N 3.08Å
96Y98.8Very high95.3Very high1 Ų151.2 Ų51.20%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-103.9136.6-174173.9-88.1000111.4F84 F88 I90 C98 Y110 P115 T121 S122 V123 K148 Y150F84-Y96 HydrophobicContact CD2-CE2 4.35Å; F84-Y96 AromaticContact CE2-CD1 3.91Å; F84-Y96 HydrophobicContact CE2-CD1 3.91Å; F84-Y96 AromaticContact CE2-CD2 3.59Å; F84-Y96 HydrophobicContact CE2-CD2 3.59Å; F84-Y96 AromaticContact CE2-CE1 3.96Å; F84-Y96 HydrophobicContact CE2-CE1 3.96Å; F84-Y96 AromaticContact CE2-CE2 3.66Å; F84-Y96 HydrophobicContact CE2-CE2 3.66Å; F84-Y96 AromaticContact CE2-CG 3.71Å; F84-Y96 HydrophobicContact CE2-CG 3.71Å; F84-Y96 AromaticContact CE2-CZ 3.8Å; F84-Y96 HydrophobicContact CZ-CD1 4.34Å; F84-Y96 HydrophobicContact CZ-CD2 4.16Å; F84-Y96 AromaticContact CZ-CG 4Å; F84-Y96 HydrophobicContact CZ-CG 4Å; F88-Y96 HydrophobicContact CD1-CE2 4.06Å; F88-Y96 AromaticContact CD2-CE2 3.8Å; F88-Y96 HydrophobicContact CD2-CE2 3.8Å; F88-Y96 HydrophobicContact CE1-CE2 4.14Å; F88-Y96 AromaticContact CE2-CE2 3.87Å; F88-Y96 HydrophobicContact CE2-CE2 3.87Å; F88-Y96 HydrophobicContact CG-CD2 4.46Å; F88-Y96 AromaticContact CG-CE2 3.9Å; F88-Y96 HydrophobicContact CG-CE2 3.9Å; F88-Y96 HydrophobicContact CZ-CE2 4.05Å; I90-Y96 HydrophobicContact CD1-CD2 4.19Å; Y96-C98 HydrophobicContact CE1-CB 3.48Å; Y96-C98 VanDerWaalsContact CE1-CB 3.48Å; Y96-C98 WeakPolarHBondContact OH-CB 3.42Å; Y96-Y110 WeakPolarHBondContact CE1-O 3.47Å; Y96-Y110 PolarHBondContact OH-O 3.47Å; Y96-P115 HydrophobicContact CD1-CG 4.22Å; Y96-P115 HydrophobicContact CE1-CG 4.2Å; Y96-T121 PolarHBondContact N-O 2.69Å; Y96-S122 CarbonylContact O-C 3.5Å; Y96-S122 WeakPolarHBondContact O-CA 3.32Å; Y96-V123 PolarHBondContact O-N 3Å; Y96-K148 HydrophobicContact CD2-CB 3.62Å; Y96-K148 HydrophobicContact CE2-CB 4.42Å; Y96-K148 HydrophobicContact CG-CB 4.45Å; Y96-Y150 WeakPolarHBondContact OH-CD1 3.27Å
97F98.7Very high95.2Very high0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-130.8104.7177.9-179.9-157.2000111.3T99 V123 F125 Y137 I140 I141 V146 K148 F149 Y150F97-T99 HydrophobicContact CD2-CG2 4.4Å; F97-T99 HydrophobicContact CE1-CG2 4.08Å; F97-T99 HydrophobicContact CE2-CG2 3.81Å; F97-T99 HydrophobicContact CZ-CG2 3.65Å; F97-V123 HydrophobicContact CB-CB 4.02Å; F97-V123 HydrophobicContact CB-CG2 4.21Å; F97-V123 HydrophobicContact CD2-CB 3.63Å; F97-V123 HydrophobicContact CD2-CG1 3.78Å; F97-V123 HydrophobicContact CE2-CB 4.32Å; F97-V123 HydrophobicContact CE2-CG1 3.96Å; F97-V123 HydrophobicContact CG-CB 3.9Å; F97-V123 HydrophobicContact CG-CG1 4.19Å; F97-V123 HydrophobicContact CG-CG2 4.43Å; F97-V123 HydrophobicContact CZ-CG1 4.48Å; F97-F125 HydrophobicContact CE2-CB 3.53Å; F97-F125 HydrophobicContact CE2-CG 4.17Å; F97-F125 HydrophobicContact CZ-CB 3.83Å; F97-F125 HydrophobicContact CZ-CD1 4.25Å; F97-F125 AromaticContact CZ-CG 3.96Å; F97-F125 HydrophobicContact CZ-CG 3.96Å; F97-Y137 HydrophobicContact CE1-CD1 4.05Å; F97-Y137 HydrophobicContact CZ-CD1 4.03Å; F97-Y137 HydrophobicContact CZ-CE1 4.17Å; F97-I140 HydrophobicContact CD1-CG2 3.93Å; F97-I140 HydrophobicContact CE1-CB 4.19Å; F97-I140 HydrophobicContact CE1-CD1 4.47Å; F97-I140 HydrophobicContact CE1-CG2 3.63Å; F97-I140 HydrophobicContact CZ-CD1 4.38Å; F97-I140 HydrophobicContact CZ-CG2 4.17Å; F97-I141 HydrophobicContact CD1-CG1 4.25Å; F97-V146 HydrophobicContact CB-CG1 3.72Å; F97-V146 HydrophobicContact CB-CG2 3.98Å; F97-K148 PolarHBondContact N-O 2.91Å; F97-F149 HydrophobicContact CB-CD2 4.17Å; F97-F149 AromaticContact CD1-CD2 3.59Å; F97-F149 HydrophobicContact CD1-CD2 3.59Å; F97-F149 AromaticContact CD1-CE2 3.61Å; F97-F149 HydrophobicContact CD1-CE2 3.61Å; F97-F149 HydrophobicContact CE1-CD2 4.22Å; F97-F149 AromaticContact CE1-CE2 3.75Å; F97-F149 HydrophobicContact CE1-CE2 3.75Å; F97-F149 HydrophobicContact CG-CD2 4.03Å; F97-F149 HydrophobicContact CG-CE2 4.27Å; F97-F149 CarbonylContact O-C 3.49Å; F97-F149 WeakPolarHBondContact O-CA 3.31Å; F97-F149 WeakPolarHBondContact O-CD2 3.34Å; F97-Y150 PolarHBondContact O-N 3.31Å
98C98.3Very high95.2Very high6 Ų647 Ų474%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-98135.4165.6-179.60000110.5Y96 A100 Y110 V111 Y150Y96-C98 HydrophobicContact CE1-CB 3.48Å; Y96-C98 VanDerWaalsContact CE1-CB 3.48Å; Y96-C98 WeakPolarHBondContact OH-CB 3.42Å; C98-A100 PolarHBondContact SG-N 2.71Å; C98-Y110 WeakPolarHBondContact CB-O 3.44Å; C98-V111 HydrophobicContact CB-CG2 3.7Å; C98-Y150 WeakPolarHBondContact CA-O 3.31Å; C98-Y150 HydrophobicContact CB-CD1 4.08Å; C98-Y150 VanDerWaalsContact SG-CD1 3.5Å
99T96Very high95.2Very high26 Ų2647 Ų4716%0.1625%0.253CS..  trans-95.71.4-175.554.50000113.8F97 Y137 F149 Y150 T151F97-T99 HydrophobicContact CD2-CG2 4.4Å; F97-T99 HydrophobicContact CE1-CG2 4.08Å; F97-T99 HydrophobicContact CE2-CG2 3.81Å; F97-T99 HydrophobicContact CZ-CG2 3.65Å; T99-Y137 WeakPolarHBondContact CB-OH 3.33Å; T99-Y137 HydrophobicContact CG2-CD1 4.16Å; T99-Y137 HydrophobicContact CG2-CD2 4.37Å; T99-Y137 HydrophobicContact CG2-CE1 3.58Å; T99-Y137 HydrophobicContact CG2-CE2 3.82Å; T99-Y137 VanDerWaalsContact CG2-CZ 3.42Å; T99-F149 HydrophobicContact CG2-CD2 4.47Å; T99-F149 HydrophobicContact CG2-CE2 3.44Å; T99-F149 VanDerWaalsContact CG2-CE2 3.44Å; T99-F149 HydrophobicContact CG2-CZ 3.89Å; T99-Y150 PolarHBondContact N-O 2.87Å; T99-Y150 PolarHBondContact OG1-O 3.09Å; T99-T151 VanDerWaalsContact OG1-CA 3.23Å; T99-T151 WeakPolarHBondContact OG1-CA 3.45Å; T99-T151 WeakPolarHBondContact OG1-CB 3.38Å; T99-T151 PolarHBondContact OG1-OG1 2.79Å
100A89.3Confident95.2Very high29 Ų2943.7 Ų43.724%0.2424%0.235CC..  trans-75.4143.2-177.800000111.6C98 T106C98-A100 PolarHBondContact SG-N 2.71Å; A100-T106 HydrophobicContact CB-CG2 3.54Å
101D89.2Confident95.2Very high102 Ų10243.4 Ų43.455%0.54523%0.234SC..  trans-70.9144.6171.4-178.2-85.6000111.1G103 W104D101-G103 PolarHBondContact O-N 2.79Å; D101-G103 WeakPolarHBondContact OD1-CA 3.39Å; D101-G103 PolarHBondContact OD1-N 3.42Å; D101-W104 PolarHBondContact O-N 2.85Å; D101-W104 VanDerWaalsContact O-N 3.11Å
102I92.1Very high95.3Very high96 Ų9641.2 Ų41.249%0.49223%0.228SC..THydrogen-bonded Turntrans-64.8-17.8-178.559.2169.6000113.4W104 H108 V111 V112I102-W104 PolarHBondContact O-N 2.89Å; I102-H108 PolarHBondContact O-CE1 2.67Å; I102-H108 PolarHBondContact O-ND1 2.95Å; I102-V111 HydrophobicContact CG2-CG1 4.37Å; I102-V112 HydrophobicContact CG2-CG2 4.23Å
103G87.3Confident95.4Very high42 Ų4236.3 Ų36.343%0.43320%0.197SC..THydrogen-bonded Turntrans-70.9-4.9172.400000114.6D101D101-G103 PolarHBondContact O-N 2.79Å; D101-G103 WeakPolarHBondContact OD1-CA 3.39Å; D101-G103 PolarHBondContact OD1-N 3.42Å
104W84.5Confident95.5Very high128 Ų12830.7 Ų30.749%0.48517%0.167SC..SBendtrans-111159.6172.9-54.799.2000111.4D101 I102 T106 G107 H108 S396D101-W104 PolarHBondContact O-N 2.85Å; D101-W104 VanDerWaalsContact O-N 3.11Å; I102-W104 PolarHBondContact O-N 2.89Å; W104-T106 PolarHBondContact O-N 3Å; W104-G107 PolarHBondContact O-N 2.84Å; W104-H108 PolarHBondContact O-N 2.88Å; W104-H108 VanDerWaalsContact O-N 3.14Å; W104-H108 PolarHBondContact O-ND1 3.05Å; W104-H108 VanDerWaalsContact O-ND1 3.16Å; W104-S396 WeakPolarHBondContact CZ2-OG 3.45Å
105I95.1Very high95.5Very high11 Ų1130.4 Ų30.46%0.05617%0.166CC..Hα-helixtrans-59.5-33.3179.2-168.169.9000112F55 L57 Y76 G107 H108 S109 W209 T211F55-I105 HydrophobicContact CE2-CD1 4.07Å; F55-I105 HydrophobicContact CZ-CD1 3.8Å; L57-I105 HydrophobicContact CD2-CB 3.8Å; L57-I105 HydrophobicContact CD2-CD1 4Å; Y76-I105 HydrophobicContact CE2-CD1 4.31Å; I105-G107 VanDerWaalsContact C-N 3.29Å; I105-G107 PolarHBondContact O-N 3.03Å; I105-H108 HydrophobicContact CD1-CB 4.31Å; I105-H108 WeakPolarHBondContact O-CB 3.46Å; I105-H108 PolarHBondContact O-N 2.81Å; I105-H108 VanDerWaalsContact O-N 3.12Å; I105-S109 PolarHBondContact O-N 3.26Å; I105-S109 PolarHBondContact O-OG 3.06Å; I105-W209 HydrophobicContact CB-CH2 4.27Å; I105-W209 HydrophobicContact CB-CZ3 4.19Å; I105-W209 HydrophobicContact CG1-CH2 3.96Å; I105-W209 HydrophobicContact CG1-CZ3 3.51Å; I105-W209 HydrophobicContact CG2-CE3 4.43Å; I105-W209 HydrophobicContact CG2-CH2 3.74Å; I105-W209 HydrophobicContact CG2-CZ2 4.45Å; I105-W209 HydrophobicContact CG2-CZ3 3.74Å; I105-T211 HydrophobicContact CB-CG2 4.12Å; I105-T211 HydrophobicContact CD1-CG2 4.31Å; I105-T211 HydrophobicContact CG1-CG2 4.39Å
106T96Very high95.5Very high16 Ų1634.5 Ų34.510%0.09819%0.186CC..Hα-helixtrans-59.3-40.3174.6-48.60000111.9A100 W104 Y110 V111 Y150 V181 W209A100-T106 HydrophobicContact CB-CG2 3.54Å; W104-T106 PolarHBondContact O-N 3Å; T106-Y110 CarbonylContact O-C 3.53Å; T106-Y110 WeakPolarHBondContact O-CA 3.37Å; T106-Y110 WeakPolarHBondContact O-CB 3.38Å; T106-Y110 PolarHBondContact O-N 2.95Å; T106-V111 PolarHBondContact O-N 2.69Å; T106-Y150 HydrophobicContact CG2-CD1 4.14Å; T106-Y150 HydrophobicContact CG2-CE1 3.58Å; T106-V181 HydrophobicContact CG2-CG1 4.12Å; T106-V181 HydrophobicContact CG2-CG2 4.4Å; T106-W209 HydrophobicContact CG2-CZ2 4.15Å; T106-W209 WeakPolarHBondContact OG1-CZ2 3.46Å
107G95.8Very high95.5Very high0 Ų036.6 Ų36.60%020%0.204CC..Hα-helixtrans-68.2-38.8174.400000112.5W104 I105 V111 V112W104-G107 PolarHBondContact O-N 2.84Å; I105-G107 VanDerWaalsContact C-N 3.29Å; I105-G107 PolarHBondContact O-N 3.03Å; G107-V111 WeakPolarHBondContact O-CA 3.35Å; G107-V111 VanDerWaalsContact O-CB 3.24Å; G107-V111 WeakPolarHBondContact O-CB 3.31Å; G107-V111 PolarHBondContact O-N 2.97Å; G107-V111 VanDerWaalsContact O-N 3.07Å; G107-V112 PolarHBondContact O-N 3.11Å; G107-V112 VanDerWaalsContact O-N 3.07Å
108H98Very high95.4Very high33 Ų3338 Ų3815%0.15322%0.215CC..Iπ-helixtrans-60.3-63.5173.5-71.149.5000110.9F55 Y76 I102 W104 I105 Y113F55-H108 AromaticContact CD1-CD2 3.96Å; F55-H108 AromaticContact CD2-CD2 3.73Å; F55-H108 AromaticContact CD2-NE2 4Å; F55-H108 AromaticContact CE1-CD2 3.99Å; F55-H108 AromaticContact CE2-CD2 3.72Å; F55-H108 AromaticContact CG-CD2 3.86Å; F55-H108 AromaticContact CZ-CD2 3.86Å; Y76-H108 WeakPolarHBondContact OH-CB 3.48Å; I102-H108 PolarHBondContact O-CE1 2.67Å; I102-H108 PolarHBondContact O-ND1 2.95Å; W104-H108 PolarHBondContact O-N 2.88Å; W104-H108 VanDerWaalsContact O-N 3.14Å; W104-H108 PolarHBondContact O-ND1 3.05Å; W104-H108 VanDerWaalsContact O-ND1 3.16Å; I105-H108 HydrophobicContact CD1-CB 4.31Å; I105-H108 WeakPolarHBondContact O-CB 3.46Å; I105-H108 PolarHBondContact O-N 2.81Å; I105-H108 VanDerWaalsContact O-N 3.12Å; H108-Y113 HydrophobicContact CB-CD2 4.12Å; H108-Y113 HydrophobicContact CB-CE2 4.11Å; H108-Y113 WeakPolarHBondContact O-CD2 3.42Å; H108-Y113 PolarHBondContact O-N 3.25Å
109S98.6Very high95.4Very high0 Ų040.9 Ų40.90%025%0.246CC..Iπ-helixtrans-70.7-36.8-171.7-50.40000113.1Y76 I105 G114 G214Y76-S109 WeakPolarHBondContact OH-CA 3.27Å; Y76-S109 PolarHBondContact OH-N 2.98Å; Y76-S109 PolarHBondContact OH-OG 3.3Å; I105-S109 PolarHBondContact O-N 3.26Å; I105-S109 PolarHBondContact O-OG 3.06Å; S109-G114 VanDerWaalsContact O-CA 3.29Å; S109-G114 WeakPolarHBondContact O-CA 3.46Å; S109-G114 PolarHBondContact O-N 3.08Å; S109-G214 PolarHBondContact OG-O 3.03Å
110Y98.6Very high95.4Very high0 Ų040.1 Ų40.10%024%0.242CC..Iπ-helixtrans-127.29-165.2-56.2-64.5000114.8T83 F84 F88 Y96 C98 T106 Y150 W209 G215 H216T83-Y110 WeakPolarHBondContact CB-OH 3.07Å; T83-Y110 PolarHBondContact OG1-OH 2.93Å; F84-Y110 HydrophobicContact CB-CD1 4.14Å; F84-Y110 HydrophobicContact CB-CE1 4.1Å; F84-Y110 HydrophobicContact CD2-CD1 4.19Å; F88-Y110 HydrophobicContact CE2-CD1 4.33Å; Y96-Y110 WeakPolarHBondContact CE1-O 3.47Å; Y96-Y110 PolarHBondContact OH-O 3.47Å; C98-Y110 WeakPolarHBondContact CB-O 3.44Å; T106-Y110 CarbonylContact O-C 3.53Å; T106-Y110 WeakPolarHBondContact O-CA 3.37Å; T106-Y110 WeakPolarHBondContact O-CB 3.38Å; T106-Y110 PolarHBondContact O-N 2.95Å; Y110-Y150 HydrophobicContact CD2-CE1 4.02Å; Y110-Y150 HydrophobicContact CG-CE1 4.13Å; Y110-W209 AromaticContact CD2-CH2 3.55Å; Y110-W209 HydrophobicContact CD2-CH2 3.55Å; Y110-W209 AromaticContact CD2-CZ2 3.39Å; Y110-W209 HydrophobicContact CD2-CZ2 3.39Å; Y110-W209 HydrophobicContact CD2-CZ3 4.49Å; Y110-W209 HydrophobicContact CE2-CD2 4.25Å; Y110-W209 AromaticContact CE2-CE2 3.71Å; Y110-W209 HydrophobicContact CE2-CE3 4.34Å; Y110-W209 AromaticContact CE2-CH2 3.36Å; Y110-W209 HydrophobicContact CE2-CH2 3.36Å; Y110-W209 AromaticContact CE2-CZ2 3.28Å; Y110-W209 HydrophobicContact CE2-CZ2 3.28Å; Y110-W209 AromaticContact CE2-CZ3 3.91Å; Y110-W209 HydrophobicContact CE2-CZ3 3.91Å; Y110-G215 WeakPolarHBondContact OH-CA 3.17Å; Y110-H216 AromaticContact CD2-NE2 3.75Å; Y110-H216 AromaticContact CE1-CE1 3.65Å; Y110-H216 AromaticContact CE1-NE2 3.77Å; Y110-H216 AromaticContact CE2-CD2 3.42Å; Y110-H216 VanDerWaalsContact CE2-CD2 3.42Å; Y110-H216 WeakPolarHBondContact CE2-CD2 3.48Å; Y110-H216 AromaticContact CE2-CE1 3.91Å; Y110-H216 AromaticContact CE2-NE2 3.16Å; Y110-H216 WeakPolarHBondContact CE2-NE2 3.42Å; Y110-H216 AromaticContact CZ-CD2 3.38Å; Y110-H216 AromaticContact CZ-CE1 3.47Å; Y110-H216 VanDerWaalsContact CZ-CE1 3.47Å; Y110-H216 AromaticContact CZ-CG 3.79Å; Y110-H216 AromaticContact CZ-ND1 3.82Å; Y110-H216 AromaticContact CZ-NE2 3.18Å; Y110-H216 PolarHBondContact OH-CD2 2.71Å; Y110-H216 VanDerWaalsContact OH-CG 3.25Å; Y110-H216 PolarHBondContact OH-N 3.04Å; Y110-H216 PolarHBondContact OH-NE2 3.41Å
111V98.1Very high95.9Very high10 Ų1043 Ų436%0.06126%0.257CS..Iπ-helixtrans-109.1-42.2158175.20000109.7C98 I102 T106 G107 L124C98-V111 HydrophobicContact CB-CG2 3.7Å; I102-V111 HydrophobicContact CG2-CG1 4.37Å; T106-V111 PolarHBondContact O-N 2.69Å; G107-V111 WeakPolarHBondContact O-CA 3.35Å; G107-V111 VanDerWaalsContact O-CB 3.24Å; G107-V111 WeakPolarHBondContact O-CB 3.31Å; G107-V111 PolarHBondContact O-N 2.97Å; G107-V111 VanDerWaalsContact O-N 3.07Å; V111-L124 HydrophobicContact CG1-CD1 3.88Å
112V98.1Very high96.2Very high52 Ų5240.1 Ų40.132%0.31524%0.244SC..Iπ-helixtrans-101.1-75.6-173.9-174.40000112.2I102 G107 L116I102-V112 HydrophobicContact CG2-CG2 4.23Å; G107-V112 PolarHBondContact O-N 3.11Å; G107-V112 VanDerWaalsContact O-N 3.07Å; V112-L116 HydrophobicContact CG1-CD1 3.87Å; V112-L116 VanDerWaalsContact O-CB 3.23Å; V112-L116 WeakPolarHBondContact O-CB 3.25Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.2Å
113Y98.5Very high96.4Very high59 Ų5936.4 Ų36.423%0.23123%0.226CC..Iπ-helixtrans-68.1-51.6-161.4-66.1-65.5000113.9L54 F55 Y76 H108 A117L54-Y113 HydrophobicContact CD1-CE1 4.34Å; L54-Y113 HydrophobicContact CD2-CE1 4.17Å; L54-Y113 HydrophobicContact CD2-CE2 4.37Å; F55-Y113 AromaticContact CD1-CE2 3.96Å; F55-Y113 HydrophobicContact CD1-CE2 3.96Å; F55-Y113 AromaticContact CE1-CE2 3.98Å; F55-Y113 HydrophobicContact CE1-CE2 3.98Å; Y76-Y113 AromaticContact CE1-CD2 3.42Å; Y76-Y113 HydrophobicContact CE1-CD2 3.42Å; Y76-Y113 VanDerWaalsContact CE1-CD2 3.42Å; Y76-Y113 AromaticContact CE1-CE2 3.94Å; Y76-Y113 HydrophobicContact CE1-CE2 3.94Å; Y76-Y113 AromaticContact CE1-CG 3.84Å; Y76-Y113 HydrophobicContact CE1-CG 3.84Å; Y76-Y113 AromaticContact CZ-CD2 3.93Å; Y76-Y113 WeakPolarHBondContact OH-CD2 3.35Å; H108-Y113 HydrophobicContact CB-CD2 4.12Å; H108-Y113 HydrophobicContact CB-CE2 4.11Å; H108-Y113 WeakPolarHBondContact O-CD2 3.42Å; H108-Y113 PolarHBondContact O-N 3.25Å; Y113-A117 WeakPolarHBondContact O-CB 3.43Å; Y113-A117 PolarHBondContact O-N 3.23Å
114G98.5Very high96.9Very high0 Ų041 Ų410%024%0.24CC..Hα-helixtrans-60.8-54.418000000112.9F84 S109 A117 A118F84-G114 WeakPolarHBondContact CD1-O 3.48Å; S109-G114 VanDerWaalsContact O-CA 3.29Å; S109-G114 WeakPolarHBondContact O-CA 3.46Å; S109-G114 PolarHBondContact O-N 3.08Å; G114-A117 PolarHBondContact O-N 3.35Å; G114-A118 WeakPolarHBondContact O-CB 3.36Å; G114-A118 PolarHBondContact O-N 3.42Å; G114-A118 VanDerWaalsContact O-N 3.08Å
115P98.3Very high97.4Very high0 Ų036.7 Ų36.70%023%0.225CC..Hα-helixtrans-58.2-47.9177.7-25.834.2000113.9F84 Y96 A118 G119 C120F84-P115 HydrophobicContact CD2-CG 4.15Å; F84-P115 HydrophobicContact CE1-CB 4.27Å; F84-P115 HydrophobicContact CE1-CG 4.43Å; F84-P115 HydrophobicContact CE2-CB 4.27Å; F84-P115 HydrophobicContact CE2-CG 3.7Å; F84-P115 HydrophobicContact CZ-CB 3.9Å; F84-P115 HydrophobicContact CZ-CG 3.85Å; Y96-P115 HydrophobicContact CD1-CG 4.22Å; Y96-P115 HydrophobicContact CE1-CG 4.2Å; P115-A118 CarbonylContact O-C 3.55Å; P115-A118 PolarHBondContact O-N 3.24Å; P115-G119 PolarHBondContact O-N 3.3Å; P115-C120 PolarHBondContact O-N 2.8Å
116L98Very high97.3Very high113 Ų11344.9 Ų44.959%0.59226%0.263SS*.Hα-helixtrans-69.1-38.6-178.5-64.8177.4000112.1V112 A118 G119V112-L116 HydrophobicContact CG1-CD1 3.87Å; V112-L116 VanDerWaalsContact O-CB 3.23Å; V112-L116 WeakPolarHBondContact O-CB 3.25Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.2Å; L116-A118 PolarHBondContact O-N 2.85Å; L116-G119 PolarHBondContact O-N 3.38Å
117A97.8Very high97.1Very high46 Ų4646 Ų4638%0.3828%0.277SS..Hα-helixtrans-63.1-28.4173.800000112.6L77 Y81 Y113 G114L77-A117 HydrophobicContact CD1-CB 3.88Å; Y81-A117 HydrophobicContact CD2-CB 4.04Å; Y113-A117 WeakPolarHBondContact O-CB 3.43Å; Y113-A117 PolarHBondContact O-N 3.23Å; G114-A117 PolarHBondContact O-N 3.35Å
118A97.6Very high96.7Very high29 Ų2948.9 Ų48.924%0.2429%0.294CS..THydrogen-bonded Turntrans-85.2-4.6174.600000114.3Y81 F84 G114 P115 L116 C120Y81-A118 HydrophobicContact CD2-CB 4.04Å; Y81-A118 HydrophobicContact CE2-CB 3.98Å; F84-A118 HydrophobicContact CD1-CB 3.79Å; F84-A118 HydrophobicContact CE1-CB 3.72Å; G114-A118 WeakPolarHBondContact O-CB 3.36Å; G114-A118 PolarHBondContact O-N 3.42Å; G114-A118 VanDerWaalsContact O-N 3.08Å; P115-A118 CarbonylContact O-C 3.55Å; P115-A118 PolarHBondContact O-N 3.24Å; L116-A118 PolarHBondContact O-N 2.85Å; A118-C120 HydrophobicContact CB-CB 4.38Å; A118-C120 PolarHBondContact O-N 2.58Å
119G97.5Very high96.2Very high66 Ų6648 Ų4868%0.6829%0.292SS*.THydrogen-bonded Turntrans64.919.9-172.600000113.4P115 L116P115-G119 PolarHBondContact O-N 3.3Å; L116-G119 PolarHBondContact O-N 3.38Å
120C97.6Very high95.6Very high11 Ų1152.2 Ų52.27%0.07431%0.31CS..  trans-80.9141-176.4-178.70000111.1F84 I90 P115 A118 S122F84-C120 HydrophobicContact CE1-CB 3.8Å; F84-C120 HydrophobicContact CZ-CB 3.94Å; I90-C120 HydrophobicContact CG2-CB 4.11Å; P115-C120 PolarHBondContact O-N 2.8Å; A118-C120 HydrophobicContact CB-CB 4.38Å; A118-C120 PolarHBondContact O-N 2.58Å; C120-S122 PolarHBondContact O-N 2.83Å
121T98Very high95.2Very high90 Ų9060.1 Ų60.155%0.55234%0.341SS*.EExtended strand (participates in β ladder)trans-73.2121.4172.1-62.10000109.4V95 Y96V95-T121 HydrophobicContact CG1-CG2 4.44Å; V95-T121 HydrophobicContact CG2-CG2 4.46Å; Y96-T121 PolarHBondContact N-O 2.69Å
122S96Very high95Very high40 Ų4063.6 Ų63.628%0.2836%0.364SS..EExtended strand (participates in β ladder)trans-120147.7179.166.10000113.4Y96 C120Y96-S122 CarbonylContact O-C 3.5Å; Y96-S122 WeakPolarHBondContact O-CA 3.32Å; C120-S122 PolarHBondContact O-N 2.83Å
123V97.7Very high94.9Very high19 Ų1963.1 Ų63.112%0.11536%0.36CS..  trans-92.1114.8174.7178.80000109.6V95 Y96 F97 I140 Y144 V146V95-V123 HydrophobicContact CG1-CG2 4.2Å; Y96-V123 PolarHBondContact O-N 3Å; F97-V123 HydrophobicContact CB-CB 4.02Å; F97-V123 HydrophobicContact CB-CG2 4.21Å; F97-V123 HydrophobicContact CD2-CB 3.63Å; F97-V123 HydrophobicContact CD2-CG1 3.78Å; F97-V123 HydrophobicContact CE2-CB 4.32Å; F97-V123 HydrophobicContact CE2-CG1 3.96Å; F97-V123 HydrophobicContact CG-CB 3.9Å; F97-V123 HydrophobicContact CG-CG1 4.19Å; F97-V123 HydrophobicContact CG-CG2 4.43Å; F97-V123 HydrophobicContact CZ-CG1 4.48Å; V123-I140 HydrophobicContact CG1-CG2 3.95Å; V123-Y144 HydrophobicContact CG2-CD2 4.43Å; V123-V146 HydrophobicContact CG2-CG2 4.17Å
124L96.6Very high94.7Very high138 Ų13860.9 Ų60.972%0.72335%0.353SS*.  trans-86.5124.2167.2-174.664.4000109.7V111V111-L124 HydrophobicContact CG1-CD1 3.88Å
125F94.6Very high94.6Very high38 Ų3860.9 Ų60.917%0.16735%0.353CS..  trans-120.9115.1-174178.2-116.4000112.1F97 G127 V128 R136 Y137 I140F97-F125 HydrophobicContact CE2-CB 3.53Å; F97-F125 HydrophobicContact CE2-CG 4.17Å; F97-F125 HydrophobicContact CZ-CB 3.83Å; F97-F125 HydrophobicContact CZ-CD1 4.25Å; F97-F125 AromaticContact CZ-CG 3.96Å; F97-F125 HydrophobicContact CZ-CG 3.96Å; F125-G127 WeakPolarHBondContact CE1-O 3.49Å; F125-G127 VanDerWaalsContact CZ-CA 3.41Å; F125-V128 WeakPolarHBondContact CZ-O 3.47Å; F125-R136 HydrophobicContact CE2-CG 4.14Å; F125-R136 HydrophobicContact CZ-CG 3.99Å; F125-Y137 AromaticContact CD1-CE1 3.83Å; F125-Y137 HydrophobicContact CD1-CE1 3.83Å; F125-Y137 HydrophobicContact CE1-CD1 4.21Å; F125-Y137 AromaticContact CE1-CE1 3.45Å; F125-Y137 HydrophobicContact CE1-CE1 3.45Å; F125-Y137 VanDerWaalsContact CE1-CE1 3.45Å; F125-Y137 HydrophobicContact CZ-CD1 4.49Å; F125-Y137 HydrophobicContact CZ-CE1 4.12Å; F125-I140 HydrophobicContact CD2-CD1 3.52Å; F125-I140 HydrophobicContact CE2-CD1 3.42Å; F125-I140 VanDerWaalsContact CE2-CD1 3.42Å; F125-I140 HydrophobicContact CG-CD1 4.41Å; F125-I140 HydrophobicContact CZ-CD1 4.24Å
126E93.1Very high94.6Very high183 Ų18364.6 Ų64.686%0.85537%0.367SS*.  trans-85.3-22.7179.4-176.3-177.8-138.500113.4
127G91.3Very high94.5Very high39 Ų3959.8 Ų59.840%0.40234%0.341SS..SBendtrans-84.2-161-170.800000114.9F125F125-G127 WeakPolarHBondContact CE1-O 3.49Å; F125-G127 VanDerWaalsContact CZ-CA 3.41Å
128V87.8Confident94.6Very high60 Ų6057.7 Ų57.736%0.36432%0.323SS..  trans-120.3154.5173.6-65.80000111.2F125 F130 Y131F125-V128 WeakPolarHBondContact CZ-O 3.47Å; V128-F130 HydrophobicContact CB-CE1 4.09Å; V128-F130 HydrophobicContact CB-CE2 4.08Å; V128-F130 HydrophobicContact CB-CZ 3.84Å; V128-F130 HydrophobicContact CG1-CZ 4.3Å; V128-F130 HydrophobicContact CG2-CD2 3.85Å; V128-F130 HydrophobicContact CG2-CE1 4.42Å; V128-F130 HydrophobicContact CG2-CE2 3.55Å; V128-F130 HydrophobicContact CG2-CG 4.4Å; V128-F130 HydrophobicContact CG2-CZ 3.86Å; V128-F130 PolarHBondContact O-N 3.25Å; V128-Y131 PolarHBondContact O-N 2.8Å
129P87.4Confident94.5Very high16 Ų1659.6 Ų59.610%0.10433%0.327CS..THydrogen-bonded Turntrans-58.2-17.5-175.65.6-17000116.3R136 Y137 L159P129-R136 WeakPolarHBondContact O-CB 3.47Å; P129-Y137 HydrophobicContact CB-CD1 4.34Å; P129-Y137 HydrophobicContact CB-CD2 3.88Å; P129-Y137 HydrophobicContact CB-CE1 4.01Å; P129-Y137 HydrophobicContact CB-CE2 3.51Å; P129-Y137 HydrophobicContact CB-CG 4.28Å; P129-Y137 HydrophobicContact CG-CE2 4.02Å; P129-L159 HydrophobicContact CB-CD1 4.16Å; P129-L159 HydrophobicContact CB-CD2 4.14Å; P129-L159 HydrophobicContact CB-CG 4.36Å
130F85.6Confident94.6Very high88 Ų8857 Ų5739%0.38630%0.298SS..THydrogen-bonded Turntrans-120.27.7-167.647.9-99.9000114.3V128 P132 D133 F162V128-F130 HydrophobicContact CB-CE1 4.09Å; V128-F130 HydrophobicContact CB-CE2 4.08Å; V128-F130 HydrophobicContact CB-CZ 3.84Å; V128-F130 HydrophobicContact CG1-CZ 4.3Å; V128-F130 HydrophobicContact CG2-CD2 3.85Å; V128-F130 HydrophobicContact CG2-CE1 4.42Å; V128-F130 HydrophobicContact CG2-CE2 3.55Å; V128-F130 HydrophobicContact CG2-CG 4.4Å; V128-F130 HydrophobicContact CG2-CZ 3.86Å; V128-F130 PolarHBondContact O-N 3.25Å; F130-P132 CarbonylContact O-C 3.57Å; F130-D133 CarbonylContact C-O 3.59Å; F130-D133 VanDerWaalsContact C-O 3.28Å; F130-D133 WeakPolarHBondContact CA-O 3.47Å; F130-D133 CarbonylContact O-C 3.58Å; F130-D133 VanDerWaalsContact O-C 3.23Å; F130-D133 WeakPolarHBondContact O-CA 3.25Å; F130-D133 PolarHBondContact O-N 2.89Å; F130-F162 HydrophobicContact CB-CE2 4.48Å
131Y91.1Very high94.6Very high165 Ų16556.6 Ų56.665%0.64730%0.295SS*.SBendtrans-116.5128.2176.2-175.1-98.3000111.6V128 R136V128-Y131 PolarHBondContact O-N 2.8Å; Y131-R136 WeakPolarHBondContact O-CD 3.43Å; Y131-R136 VanDerWaalsContact O-CG 3.23Å; Y131-R136 WeakPolarHBondContact O-CG 3.42Å; Y131-R136 PolarHBondContact O-NH1 3.02Å
132P94.8Very high94.6Very high84 Ų8454.8 Ų54.855%0.54528%0.281SS..SBendcis-77.8-144.133.2-38000114.5F130 R136F130-P132 CarbonylContact O-C 3.57Å; P132-R136 VanDerWaalsContact CD-NH1 3.28Å
133D95.1Very high94.7Very high41 Ų4159.8 Ų59.822%0.21930%0.298CS..SBendtrans-145.8166173.578.952.1000111.2F130 S135 R136 Y166 K169F130-D133 CarbonylContact C-O 3.59Å; F130-D133 VanDerWaalsContact C-O 3.28Å; F130-D133 WeakPolarHBondContact CA-O 3.47Å; F130-D133 CarbonylContact O-C 3.58Å; F130-D133 VanDerWaalsContact O-C 3.23Å; F130-D133 WeakPolarHBondContact O-CA 3.25Å; F130-D133 PolarHBondContact O-N 2.89Å; D133-S135 PolarHBondContact O-N 3.14Å; D133-S135 WeakPolarHBondContact OD1-CA 3.31Å; D133-S135 WeakPolarHBondContact OD1-CB 3.45Å; D133-S135 PolarHBondContact OD1-N 3.32Å; D133-S135 PolarHBondContact OD1-OG 3.46Å; D133-R136 PolarHBondContact O-N 3.35Å; D133-Y166 HydrophobicContact CB-CE1 4.49Å; D133-K169 VanDerWaalsContact CG-NZ 3.28Å; D133-K169 IonicContact OD1-NZ 3.65Å; D133-K169 PolarHBondContact OD1-NZ 3.37Å; D133-K169 IonicContact OD2-NZ 3.8Å; D133-K169 PolarHBondContact OD2-NZ 2.84Å
134P94.6Very high94.7Very high13 Ų1364.1 Ų64.18%0.08431%0.313CS..THydrogen-bonded Turntrans-59.17.9178.3-2736.3000117.5W138 L159 F162 Y166P134-W138 PolarHBondContact O-NE1 2.89Å; P134-L159 HydrophobicContact CB-CD2 4.49Å; P134-L159 WeakPolarHBondContact O-CD2 3.05Å; P134-F162 HydrophobicContact CB-CB 3.79Å; P134-F162 HydrophobicContact CB-CD1 4.19Å; P134-F162 HydrophobicContact CB-CD2 3.65Å; P134-F162 HydrophobicContact CB-CE2 4.22Å; P134-F162 HydrophobicContact CB-CG 3.62Å; P134-F162 HydrophobicContact CG-CB 3.95Å; P134-F162 HydrophobicContact CG-CD1 3.47Å; P134-F162 VanDerWaalsContact CG-CD1 3.47Å; P134-F162 HydrophobicContact CG-CD2 3.75Å; P134-F162 HydrophobicContact CG-CE1 3.79Å; P134-F162 HydrophobicContact CG-CE2 4.03Å; P134-F162 HydrophobicContact CG-CG 3.44Å; P134-F162 VanDerWaalsContact CG-CG 3.44Å; P134-F162 HydrophobicContact CG-CZ 4.06Å; P134-Y166 HydrophobicContact CB-CD1 4.06Å; P134-Y166 HydrophobicContact CB-CD2 4.1Å; P134-Y166 HydrophobicContact CB-CE1 4.39Å; P134-Y166 HydrophobicContact CB-CE2 4.43Å; P134-Y166 HydrophobicContact CB-CG 3.89Å; P134-Y166 HydrophobicContact CG-CD1 4.33Å; P134-Y166 HydrophobicContact CG-CD2 4.42Å; P134-Y166 HydrophobicContact CG-CE1 4.16Å; P134-Y166 HydrophobicContact CG-CE2 4.25Å; P134-Y166 HydrophobicContact CG-CG 4.45Å
135S96.5Very high94.8Very high0 Ų061.7 Ų61.70%030%0.301CS..THydrogen-bonded Turntrans-106.16.8176.5-30.40000113.3D133 Y137 W138 Q139 Y166 K169D133-S135 PolarHBondContact O-N 3.14Å; D133-S135 WeakPolarHBondContact OD1-CA 3.31Å; D133-S135 WeakPolarHBondContact OD1-CB 3.45Å; D133-S135 PolarHBondContact OD1-N 3.32Å; D133-S135 PolarHBondContact OD1-OG 3.46Å; S135-Y137 VanDerWaalsContact C-N 3.33Å; S135-Y137 PolarHBondContact O-N 2.98Å; S135-W138 VanDerWaalsContact CA-CD1 3.42Å; S135-W138 WeakPolarHBondContact O-CB 3.16Å; S135-W138 PolarHBondContact O-N 2.91Å; S135-Q139 WeakPolarHBondContact O-CG 3.24Å; S135-Q139 PolarHBondContact O-N 2.73Å; S135-Y166 VanDerWaalsContact CB-O 3.29Å; S135-Y166 WeakPolarHBondContact CB-O 3.46Å; S135-Y166 WeakPolarHBondContact OG-CB 3.2Å; S135-Y166 VanDerWaalsContact OG-CD1 3.28Å; S135-Y166 WeakPolarHBondContact OG-CD1 3.15Å; S135-Y166 PolarHBondContact OG-O 3.13Å; S135-Y166 VanDerWaalsContact OG-O 3.1Å; S135-K169 WeakPolarHBondContact OG-CE 3.4Å; S135-K169 PolarHBondContact OG-NZ 3.09Å
136R97.5Very high95Very high77 Ų7759.9 Ų59.929%0.29129%0.293SS..Hα-helixtrans-55.3-45.5-170.8-176.956.4177.3-108.56.7112.8F125 P129 Y131 P132 D133 Q139 I140F125-R136 HydrophobicContact CE2-CG 4.14Å; F125-R136 HydrophobicContact CZ-CG 3.99Å; P129-R136 WeakPolarHBondContact O-CB 3.47Å; Y131-R136 WeakPolarHBondContact O-CD 3.43Å; Y131-R136 VanDerWaalsContact O-CG 3.23Å; Y131-R136 WeakPolarHBondContact O-CG 3.42Å; Y131-R136 PolarHBondContact O-NH1 3.02Å; P132-R136 VanDerWaalsContact CD-NH1 3.28Å; D133-R136 PolarHBondContact O-N 3.35Å; R136-Q139 PolarHBondContact O-N 2.86Å; R136-I140 HydrophobicContact CG-CD1 4.09Å; R136-I140 VanDerWaalsContact O-CG1 3.26Å; R136-I140 WeakPolarHBondContact O-CG1 3.49Å; R136-I140 PolarHBondContact O-N 3.13Å
137Y97.5Very high95.2Very high12 Ų1251.4 Ų51.45%0.04725%0.254CS..Hα-helixtrans-61.3-44.5175.5-73.7-16.5000112.4F97 T99 F125 P129 S135 Q139 I140 I141 F149 A155 L159F97-Y137 HydrophobicContact CE1-CD1 4.05Å; F97-Y137 HydrophobicContact CZ-CD1 4.03Å; F97-Y137 HydrophobicContact CZ-CE1 4.17Å; T99-Y137 WeakPolarHBondContact CB-OH 3.33Å; T99-Y137 HydrophobicContact CG2-CD1 4.16Å; T99-Y137 HydrophobicContact CG2-CD2 4.37Å; T99-Y137 HydrophobicContact CG2-CE1 3.58Å; T99-Y137 HydrophobicContact CG2-CE2 3.82Å; T99-Y137 VanDerWaalsContact CG2-CZ 3.42Å; F125-Y137 AromaticContact CD1-CE1 3.83Å; F125-Y137 HydrophobicContact CD1-CE1 3.83Å; F125-Y137 HydrophobicContact CE1-CD1 4.21Å; F125-Y137 AromaticContact CE1-CE1 3.45Å; F125-Y137 HydrophobicContact CE1-CE1 3.45Å; F125-Y137 VanDerWaalsContact CE1-CE1 3.45Å; F125-Y137 HydrophobicContact CZ-CD1 4.49Å; F125-Y137 HydrophobicContact CZ-CE1 4.12Å; P129-Y137 HydrophobicContact CB-CD1 4.34Å; P129-Y137 HydrophobicContact CB-CD2 3.88Å; P129-Y137 HydrophobicContact CB-CE1 4.01Å; P129-Y137 HydrophobicContact CB-CE2 3.51Å; P129-Y137 HydrophobicContact CB-CG 4.28Å; P129-Y137 HydrophobicContact CG-CE2 4.02Å; S135-Y137 VanDerWaalsContact C-N 3.33Å; S135-Y137 PolarHBondContact O-N 2.98Å; Y137-Q139 VanDerWaalsContact C-N 3.35Å; Y137-Q139 PolarHBondContact O-N 2.94Å; Y137-I140 PolarHBondContact O-N 3.4Å; Y137-I141 VanDerWaalsContact O-CG1 3.3Å; Y137-I141 WeakPolarHBondContact O-CG1 3.34Å; Y137-I141 PolarHBondContact O-N 3.2Å; Y137-F149 HydrophobicContact CD2-CE2 4.4Å; Y137-F149 AromaticContact CD2-CZ 3.68Å; Y137-F149 HydrophobicContact CD2-CZ 3.68Å; Y137-F149 HydrophobicContact CE2-CZ 4.22Å; Y137-F149 HydrophobicContact CG-CE2 4.4Å; Y137-F149 HydrophobicContact CG-CZ 4.05Å; Y137-A155 HydrophobicContact CE2-CB 4.32Å; Y137-L159 HydrophobicContact CD2-CD1 3.67Å; Y137-L159 HydrophobicContact CE2-CD1 4.11Å
138W97.9Very high95.6Very high3 Ų349.5 Ų49.51%0.01123%0.234CC..Hα-helixtrans-66.1-39.3-178-37.4135.7000111.5P134 S135 I141 D142 F149 L159 Y166 V167 C170 L172 W192 V197P134-W138 PolarHBondContact O-NE1 2.89Å; S135-W138 VanDerWaalsContact CA-CD1 3.42Å; S135-W138 WeakPolarHBondContact O-CB 3.16Å; S135-W138 PolarHBondContact O-N 2.91Å; W138-I141 HydrophobicContact CE3-CD1 3.95Å; W138-I141 HydrophobicContact CZ3-CD1 4.32Å; W138-I141 PolarHBondContact O-N 2.91Å; W138-D142 PolarHBondContact O-N 3.29Å; W138-F149 HydrophobicContact CH2-CE1 4.42Å; W138-F149 HydrophobicContact CZ3-CD1 4.49Å; W138-F149 AromaticContact CZ3-CE1 3.85Å; W138-F149 HydrophobicContact CZ3-CE1 3.85Å; W138-F149 HydrophobicContact CZ3-CZ 4.38Å; W138-L159 HydrophobicContact CH2-CD1 3.94Å; W138-L159 HydrophobicContact CZ2-CB 4.14Å; W138-L159 HydrophobicContact CZ2-CD1 3.59Å; W138-L159 HydrophobicContact CZ2-CD2 4.4Å; W138-L159 HydrophobicContact CZ2-CG 4.25Å; W138-Y166 VanDerWaalsContact CD1-O 3.3Å; W138-V167 HydrophobicContact CZ2-CG2 4.15Å; W138-C170 HydrophobicContact CB-CB 3.76Å; W138-C170 VanDerWaalsContact CB-SG 3.59Å; W138-L172 HydrophobicContact CB-CD2 4.04Å; W138-W192 HydrophobicContact CZ2-CH2 4.21Å; W138-V197 HydrophobicContact CE3-CG1 4.18Å; W138-V197 HydrophobicContact CH2-CG1 4.31Å; W138-V197 HydrophobicContact CH2-CG2 3.69Å; W138-V197 HydrophobicContact CZ2-CG2 4.2Å; W138-V197 HydrophobicContact CZ3-CB 4.48Å; W138-V197 HydrophobicContact CZ3-CG1 3.68Å; W138-V197 HydrophobicContact CZ3-CG2 3.9Å
139Q97.6Very high96.1Very high68 Ų6846.7 Ų46.732%0.31822%0.217SC..Hα-helixtrans-63.8-41.1174-72.4170.1-1600112S135 R136 Y137 K143S135-Q139 WeakPolarHBondContact O-CG 3.24Å; S135-Q139 PolarHBondContact O-N 2.73Å; R136-Q139 PolarHBondContact O-N 2.86Å; Y137-Q139 VanDerWaalsContact C-N 3.35Å; Y137-Q139 PolarHBondContact O-N 2.94Å; Q139-K143 WeakPolarHBondContact O-CB 3.19Å; Q139-K143 PolarHBondContact O-N 2.6Å
140I98Very high96.6Very high13 Ų1345.9 Ų45.97%0.06721%0.212CC..Hα-helixtrans-64.7-44.9175.7-71.2168.5000110.2F97 V123 F125 R136 Y137 D142 K143 Y144F97-I140 HydrophobicContact CD1-CG2 3.93Å; F97-I140 HydrophobicContact CE1-CB 4.19Å; F97-I140 HydrophobicContact CE1-CD1 4.47Å; F97-I140 HydrophobicContact CE1-CG2 3.63Å; F97-I140 HydrophobicContact CZ-CD1 4.38Å; F97-I140 HydrophobicContact CZ-CG2 4.17Å; V123-I140 HydrophobicContact CG1-CG2 3.95Å; F125-I140 HydrophobicContact CD2-CD1 3.52Å; F125-I140 HydrophobicContact CE2-CD1 3.42Å; F125-I140 VanDerWaalsContact CE2-CD1 3.42Å; F125-I140 HydrophobicContact CG-CD1 4.41Å; F125-I140 HydrophobicContact CZ-CD1 4.24Å; R136-I140 HydrophobicContact CG-CD1 4.09Å; R136-I140 VanDerWaalsContact O-CG1 3.26Å; R136-I140 WeakPolarHBondContact O-CG1 3.49Å; R136-I140 PolarHBondContact O-N 3.13Å; Y137-I140 PolarHBondContact O-N 3.4Å; I140-D142 PolarHBondContact O-N 3.25Å; I140-K143 PolarHBondContact O-N 3.01Å; I140-Y144 HydrophobicContact CG2-CD2 3.76Å; I140-Y144 HydrophobicContact CG2-CE2 4.11Å; I140-Y144 VanDerWaalsContact O-CD2 3.31Å; I140-Y144 WeakPolarHBondContact O-CD2 3.48Å; I140-Y144 PolarHBondContact O-N 3.48Å
141I98.4Very high97.1Very high2 Ų241.9 Ų41.91%0.0120%0.195CC..Hα-helixtrans-58-48.2177.7-72.5162.9000111.2F97 Y137 W138 D145 V146 F149 L172 L175F97-I141 HydrophobicContact CD1-CG1 4.25Å; Y137-I141 VanDerWaalsContact O-CG1 3.3Å; Y137-I141 WeakPolarHBondContact O-CG1 3.34Å; Y137-I141 PolarHBondContact O-N 3.2Å; W138-I141 HydrophobicContact CE3-CD1 3.95Å; W138-I141 HydrophobicContact CZ3-CD1 4.32Å; W138-I141 PolarHBondContact O-N 2.91Å; I141-D145 WeakPolarHBondContact O-CA 3.42Å; I141-D145 PolarHBondContact O-N 2.8Å; I141-D145 VanDerWaalsContact O-N 3.07Å; I141-V146 HydrophobicContact CB-CB 4.19Å; I141-V146 HydrophobicContact CG1-CB 4.02Å; I141-V146 HydrophobicContact CG1-CG1 4.21Å; I141-V146 HydrophobicContact CG1-CG2 4.3Å; I141-V146 HydrophobicContact CG2-CB 4.08Å; I141-V146 PolarHBondContact O-N 2.81Å; I141-F149 HydrophobicContact CD1-CB 4.3Å; I141-F149 HydrophobicContact CD1-CD1 4.02Å; I141-F149 HydrophobicContact CD1-CD2 3.9Å; I141-F149 HydrophobicContact CD1-CE1 4.37Å; I141-F149 HydrophobicContact CD1-CE2 4.2Å; I141-F149 HydrophobicContact CD1-CG 3.81Å; I141-F149 HydrophobicContact CD1-CZ 4.45Å; I141-F149 HydrophobicContact CG1-CD2 4.36Å; I141-L172 HydrophobicContact CB-CD2 3.97Å; I141-L172 HydrophobicContact CG2-CD2 3.57Å; I141-L175 HydrophobicContact CD1-CD1 4.28Å; I141-L175 HydrophobicContact CD1-CD2 4.41Å; I141-L175 HydrophobicContact CG2-CD1 3.95Å; I141-L175 HydrophobicContact CG2-CD2 3.84Å; I141-L175 HydrophobicContact CG2-CG 3.74Å
142D97.8Very high96.8Very high51 Ų5135.7 Ų35.727%0.27318%0.178SC..Hα-helixtrans-66.2-38.9176.9-87.7-5.8000112.7W138 I140 C170 K171 L172W138-D142 PolarHBondContact O-N 3.29Å; I140-D142 PolarHBondContact O-N 3.25Å; D142-C170 VanDerWaalsContact OD2-CA 3.22Å; D142-C170 WeakPolarHBondContact OD2-CA 3.43Å; D142-C170 VanDerWaalsContact OD2-CB 3.22Å; D142-C170 WeakPolarHBondContact OD2-CB 3.37Å; D142-K171 PolarHBondContact OD1-N 2.89Å; D142-K171 PolarHBondContact OD2-N 2.83Å; D142-L172 PolarHBondContact OD1-N 3.43Å
143K97.7Very high96.3Very high145 Ų14531.7 Ų31.763%0.6315%0.152SC*.Hα-helixtrans-66.8-38.6-176.9179.6-178.1177-166.50112.5Q139 I140Q139-K143 WeakPolarHBondContact O-CB 3.19Å; Q139-K143 PolarHBondContact O-N 2.6Å; I140-K143 PolarHBondContact O-N 3.01Å
144Y98Very high95.4Very high111 Ų11131 Ų3144%0.43515%0.149SC..THydrogen-bonded Turntrans-10710.1-174.9-60.8-68000113.1V123 I140 V146V123-Y144 HydrophobicContact CG2-CD2 4.43Å; I140-Y144 HydrophobicContact CG2-CD2 3.76Å; I140-Y144 HydrophobicContact CG2-CE2 4.11Å; I140-Y144 VanDerWaalsContact O-CD2 3.31Å; I140-Y144 WeakPolarHBondContact O-CD2 3.48Å; I140-Y144 PolarHBondContact O-N 3.48Å; Y144-V146 PolarHBondContact O-N 3.05Å
145D97.7Very high94.7Very high87 Ų8731.1 Ų31.147%0.46515%0.151SC..THydrogen-bonded Turntrans5140.4-178.2-73.7-47000113.2I141 T147 R174I141-D145 WeakPolarHBondContact O-CA 3.42Å; I141-D145 PolarHBondContact O-N 2.8Å; I141-D145 VanDerWaalsContact O-N 3.07Å; D145-T147 PolarHBondContact O-N 2.92Å; D145-R174 HydrophobicContact CB-CG 3.98Å; D145-R174 WeakPolarHBondContact OD1-CG 3.4Å
146V98.7Very high94.3Very high0 Ų031.1 Ų31.10%015%0.151CC..  trans-55.5129.1-178.4173.30000110.1V95 F97 V123 I141 Y144 K148 F149 R174 L175V95-V146 HydrophobicContact CG1-CG2 4.07Å; V95-V146 WeakPolarHBondContact O-CA 3.45Å; V95-V146 WeakPolarHBondContact O-CG1 3.38Å; F97-V146 HydrophobicContact CB-CG1 3.72Å; F97-V146 HydrophobicContact CB-CG2 3.98Å; V123-V146 HydrophobicContact CG2-CG2 4.17Å; I141-V146 HydrophobicContact CB-CB 4.19Å; I141-V146 HydrophobicContact CG1-CB 4.02Å; I141-V146 HydrophobicContact CG1-CG1 4.21Å; I141-V146 HydrophobicContact CG1-CG2 4.3Å; I141-V146 HydrophobicContact CG2-CB 4.08Å; I141-V146 PolarHBondContact O-N 2.81Å; Y144-V146 PolarHBondContact O-N 3.05Å; V146-K148 WeakPolarHBondContact CG1-O 3.35Å; V146-F149 HydrophobicContact CG1-CB 4.41Å; V146-R174 CarbonylContact O-C 3.56Å; V146-L175 HydrophobicContact CG1-CD2 4.06Å; V146-L175 WeakPolarHBondContact O-CD2 3.15Å; V146-L175 PolarHBondContact O-N 3.41Å
147T98.6Very high93.6Very high4 Ų429.9 Ų29.93%0.02515%0.146CC..SBendtrans-100-28.9179.556.50000112.2D94 V95 D145 R174 L175 Q176 V177D94-T147 WeakPolarHBondContact CB-OG1 3.22Å; D94-T147 WeakPolarHBondContact OD1-CB 3.49Å; D94-T147 PolarHBondContact OD1-OG1 3Å; V95-T147 PolarHBondContact N-OG1 3.07Å; V95-T147 VanDerWaalsContact N-OG1 3.15Å; V95-T147 PolarHBondContact O-N 3.14Å; V95-T147 PolarHBondContact O-OG1 2.88Å; D145-T147 PolarHBondContact O-N 2.92Å; T147-R174 WeakPolarHBondContact CA-O 3.39Å; T147-R174 HydrophobicContact CG2-CB 4.46Å; T147-L175 WeakPolarHBondContact O-CA 3.28Å; T147-Q176 PolarHBondContact O-N 3.1Å; T147-V177 PolarHBondContact O-N 2.91Å
148K98.6Very high92.7Very high0 Ų033.1 Ų33.10%016%0.162CC..EExtended strand (participates in β ladder)trans-129.3123.4-177.3-48.9-62.7-167.4-78.60109.8F88 D89 I90 D94 V95 Y96 F97 V146 V177F88-K148 WeakPolarHBondContact O-CD 3.37Å; F88-K148 WeakPolarHBondContact O-CE 3.41Å; D89-K148 VanDerWaalsContact O-CE 3.28Å; D89-K148 WeakPolarHBondContact O-CE 3.35Å; I90-K148 HydrophobicContact CD1-CG 3.92Å; D94-K148 IonicContact OD1-NZ 3.64Å; D94-K148 PolarHBondContact OD1-NZ 3.25Å; D94-K148 WeakPolarHBondContact OD2-CE 3.42Å; D94-K148 IonicContact OD2-NZ 2.69Å; D94-K148 PolarHBondContact OD2-NZ 3.38Å; V95-K148 PolarHBondContact O-N 3.08Å; Y96-K148 HydrophobicContact CD2-CB 3.62Å; Y96-K148 HydrophobicContact CE2-CB 4.42Å; Y96-K148 HydrophobicContact CG-CB 4.45Å; F97-K148 PolarHBondContact N-O 2.91Å; V146-K148 WeakPolarHBondContact CG1-O 3.35Å; K148-V177 WeakPolarHBondContact CA-O 3.4Å; K148-V177 HydrophobicContact CD-CB 3.69Å; K148-V177 HydrophobicContact CD-CG2 3.66Å
149F98.7Very high92.2Very high0 Ų033.3 Ų33.30%016%0.163CC..EExtended strand (participates in β ladder)trans-125.8128.6-175.4177.1-121.1000111.6F97 T99 Y137 W138 I141 V146 T151 L175 V177 L178 G179 Y193F97-F149 HydrophobicContact CB-CD2 4.17Å; F97-F149 AromaticContact CD1-CD2 3.59Å; F97-F149 HydrophobicContact CD1-CD2 3.59Å; F97-F149 AromaticContact CD1-CE2 3.61Å; F97-F149 HydrophobicContact CD1-CE2 3.61Å; F97-F149 HydrophobicContact CE1-CD2 4.22Å; F97-F149 AromaticContact CE1-CE2 3.75Å; F97-F149 HydrophobicContact CE1-CE2 3.75Å; F97-F149 HydrophobicContact CG-CD2 4.03Å; F97-F149 HydrophobicContact CG-CE2 4.27Å; F97-F149 CarbonylContact O-C 3.49Å; F97-F149 WeakPolarHBondContact O-CA 3.31Å; F97-F149 WeakPolarHBondContact O-CD2 3.34Å; T99-F149 HydrophobicContact CG2-CD2 4.47Å; T99-F149 HydrophobicContact CG2-CE2 3.44Å; T99-F149 VanDerWaalsContact CG2-CE2 3.44Å; T99-F149 HydrophobicContact CG2-CZ 3.89Å; Y137-F149 HydrophobicContact CD2-CE2 4.4Å; Y137-F149 AromaticContact CD2-CZ 3.68Å; Y137-F149 HydrophobicContact CD2-CZ 3.68Å; Y137-F149 HydrophobicContact CE2-CZ 4.22Å; Y137-F149 HydrophobicContact CG-CE2 4.4Å; Y137-F149 HydrophobicContact CG-CZ 4.05Å; W138-F149 HydrophobicContact CH2-CE1 4.42Å; W138-F149 HydrophobicContact CZ3-CD1 4.49Å; W138-F149 AromaticContact CZ3-CE1 3.85Å; W138-F149 HydrophobicContact CZ3-CE1 3.85Å; W138-F149 HydrophobicContact CZ3-CZ 4.38Å; I141-F149 HydrophobicContact CD1-CB 4.3Å; I141-F149 HydrophobicContact CD1-CD1 4.02Å; I141-F149 HydrophobicContact CD1-CD2 3.9Å; I141-F149 HydrophobicContact CD1-CE1 4.37Å; I141-F149 HydrophobicContact CD1-CE2 4.2Å; I141-F149 HydrophobicContact CD1-CG 3.81Å; I141-F149 HydrophobicContact CD1-CZ 4.45Å; I141-F149 HydrophobicContact CG1-CD2 4.36Å; V146-F149 HydrophobicContact CG1-CB 4.41Å; F149-T151 HydrophobicContact CE1-CG2 3.77Å; F149-T151 HydrophobicContact CZ-CG2 3.99Å; F149-L175 HydrophobicContact CB-CD2 3.82Å; F149-V177 PolarHBondContact N-O 2.64Å; F149-L178 HydrophobicContact CB-CD2 4.14Å; F149-L178 HydrophobicContact CD1-CD2 4.18Å; F149-L178 CarbonylContact O-C 3.58Å; F149-L178 WeakPolarHBondContact O-CA 3.5Å; F149-G179 PolarHBondContact O-N 3.4Å; F149-Y193 HydrophobicContact CD1-CE2 4.24Å; F149-Y193 WeakPolarHBondContact CD1-OH 3.35Å; F149-Y193 HydrophobicContact CE1-CE2 4.22Å; F149-Y193 WeakPolarHBondContact CE1-OH 3.04Å
150Y98.6Very high91.7Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-129120.2-173.1-171.4-146.3000112.2F88 Y96 F97 C98 T99 T106 Y110 G179 V181 T207 W209 H216F88-Y150 HydrophobicContact CE1-CD2 4.06Å; F88-Y150 HydrophobicContact CE1-CE2 4.48Å; F88-Y150 HydrophobicContact CE1-CG 4.11Å; F88-Y150 HydrophobicContact CE2-CD1 4.38Å; F88-Y150 HydrophobicContact CE2-CE1 4.45Å; F88-Y150 AromaticContact CZ-CD1 3.77Å; F88-Y150 HydrophobicContact CZ-CD1 3.77Å; F88-Y150 AromaticContact CZ-CD2 3.71Å; F88-Y150 HydrophobicContact CZ-CD2 3.71Å; F88-Y150 AromaticContact CZ-CE1 3.96Å; F88-Y150 HydrophobicContact CZ-CE1 3.96Å; F88-Y150 AromaticContact CZ-CE2 3.86Å; F88-Y150 HydrophobicContact CZ-CE2 3.86Å; F88-Y150 AromaticContact CZ-CG 3.61Å; F88-Y150 HydrophobicContact CZ-CG 3.61Å; F88-Y150 AromaticContact CZ-CZ 3.98Å; Y96-Y150 WeakPolarHBondContact OH-CD1 3.27Å; F97-Y150 PolarHBondContact O-N 3.31Å; C98-Y150 WeakPolarHBondContact CA-O 3.31Å; C98-Y150 HydrophobicContact CB-CD1 4.08Å; C98-Y150 VanDerWaalsContact SG-CD1 3.5Å; T99-Y150 PolarHBondContact N-O 2.87Å; T99-Y150 PolarHBondContact OG1-O 3.09Å; T106-Y150 HydrophobicContact CG2-CD1 4.14Å; T106-Y150 HydrophobicContact CG2-CE1 3.58Å; Y110-Y150 HydrophobicContact CD2-CE1 4.02Å; Y110-Y150 HydrophobicContact CG-CE1 4.13Å; Y150-G179 VanDerWaalsContact CD2-C 3.5Å; Y150-V181 HydrophobicContact CD2-CB 4.41Å; Y150-V181 HydrophobicContact CD2-CG1 4.04Å; Y150-V181 HydrophobicContact CE1-CB 4.32Å; Y150-V181 HydrophobicContact CE1-CG1 4.01Å; Y150-V181 HydrophobicContact CE2-CB 3.44Å; Y150-V181 VanDerWaalsContact CE2-CB 3.44Å; Y150-V181 HydrophobicContact CE2-CG1 3.51Å; Y150-V181 HydrophobicContact CE2-CG2 4.37Å; Y150-V181 VanDerWaalsContact CZ-CG1 3.49Å; Y150-V181 WeakPolarHBondContact OH-CB 3.15Å; Y150-V181 WeakPolarHBondContact OH-CG2 3.4Å; Y150-T207 HydrophobicContact CE2-CG2 4.36Å; Y150-T207 WeakPolarHBondContact CE2-OG1 3.39Å; Y150-T207 PolarHBondContact OH-OG1 3.08Å; Y150-W209 PolarHBondContact OH-NE1 3.2Å; Y150-H216 AromaticContact CZ-NE2 3.87Å; Y150-H216 PolarHBondContact OH-NE2 3.42Å; Y150-H216 VanDerWaalsContact OH-NE2 3.11Å
151T96Very high91.1Very high3 Ų338 Ų382%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-149.5168.4-176-162.50000113.4T99 F149 I156 G179 S180 V181T99-T151 VanDerWaalsContact OG1-CA 3.23Å; T99-T151 WeakPolarHBondContact OG1-CA 3.45Å; T99-T151 WeakPolarHBondContact OG1-CB 3.38Å; T99-T151 PolarHBondContact OG1-OG1 2.79Å; F149-T151 HydrophobicContact CE1-CG2 3.77Å; F149-T151 HydrophobicContact CZ-CG2 3.99Å; T151-I156 HydrophobicContact CG2-CD1 3.87Å; T151-I156 HydrophobicContact CG2-CG1 3.61Å; T151-G179 PolarHBondContact N-O 3.2Å; T151-S180 WeakPolarHBondContact O-CA 3.3Å; T151-V181 PolarHBondContact O-N 3.3Å
152A85.5Confident90.7Very high36 Ų3641.9 Ų41.930%0.29820%0.201SC..  trans-84.8144.4178.500000111.6T154 A155 I156A152-T154 PolarHBondContact O-N 3.01Å; A152-T154 VanDerWaalsContact O-N 3.12Å; A152-A155 WeakPolarHBondContact O-CB 3.27Å; A152-A155 PolarHBondContact O-N 2.95Å; A152-I156 PolarHBondContact O-N 3.23Å
153P82.8Confident90.3Very high0 Ų040.9 Ų40.90%020%0.203CC..Hα-helixtrans-50.9-34172.3-26.431.9000114.4A155 I156 R157 S180 V181 E183 I185P153-A155 VanDerWaalsContact C-N 3.33Å; P153-A155 PolarHBondContact O-N 2.99Å; P153-I156 PolarHBondContact O-N 3.36Å; P153-R157 WeakPolarHBondContact O-CB 3.4Å; P153-R157 WeakPolarHBondContact O-CG 3.37Å; P153-R157 PolarHBondContact O-N 3.06Å; P153-S180 WeakPolarHBondContact CD-OG 3.46Å; P153-S180 VanDerWaalsContact CG-OG 3.29Å; P153-S180 WeakPolarHBondContact CG-OG 2.93Å; P153-V181 WeakPolarHBondContact CD-O 3.4Å; P153-E183 HydrophobicContact CB-CG 3.73Å; P153-E183 WeakPolarHBondContact CB-OE1 3.41Å; P153-E183 HydrophobicContact CG-CG 3.51Å; P153-E183 WeakPolarHBondContact CG-O 3.5Å; P153-I185 HydrophobicContact CB-CB 4.34Å; P153-I185 HydrophobicContact CB-CG1 4.4Å; P153-I185 HydrophobicContact CG-CB 3.97Å; P153-I185 HydrophobicContact CG-CG1 4.43Å
154T75.8Confident90.1Very high26 Ų2635.7 Ų35.716%0.1619%0.187CC..Hα-helixtrans-58.8-43.9176.1-71.10000111.5A152 R157 H158 E183A152-T154 PolarHBondContact O-N 3.01Å; A152-T154 VanDerWaalsContact O-N 3.12Å; T154-R157 PolarHBondContact O-N 2.9Å; T154-R157 PolarHBondContact OG1-NH2 2.74Å; T154-H158 WeakPolarHBondContact O-CB 3.41Å; T154-H158 PolarHBondContact O-N 2.92Å; T154-E183 WeakPolarHBondContact CA-OE1 3.36Å; T154-E183 VanDerWaalsContact CB-OE1 3.29Å; T154-E183 WeakPolarHBondContact CB-OE1 3.4Å; T154-E183 PolarHBondContact N-OE1 2.63Å; T154-E183 PolarHBondContact OG1-OE1 3.16Å; T154-E183 PolarHBondContact OG1-OE2 2.91Å
155A81.1Confident90Very high15 Ų1533.7 Ų33.712%0.12419%0.194CC..Hα-helixtrans-66.3-42.4176.900000111Y137 A152 P153 H158 L159Y137-A155 HydrophobicContact CE2-CB 4.32Å; A152-A155 WeakPolarHBondContact O-CB 3.27Å; A152-A155 PolarHBondContact O-N 2.95Å; P153-A155 VanDerWaalsContact C-N 3.33Å; P153-A155 PolarHBondContact O-N 2.99Å; A155-H158 PolarHBondContact O-N 3.08Å; A155-L159 WeakPolarHBondContact O-CB 2.92Å; A155-L159 WeakPolarHBondContact O-CD1 3.31Å; A155-L159 VanDerWaalsContact O-CG 3.31Å; A155-L159 WeakPolarHBondContact O-CG 3.04Å; A155-L159 PolarHBondContact O-N 3.1Å
156I88.1Confident90Very high1 Ų133.8 Ų33.81%0.00519%0.188CC..Hα-helixtrans-60.7-47.4176.6-55.4172.7000110.5T151 A152 P153 H158 L159 M160 I185 V189 W192 Y193T151-I156 HydrophobicContact CG2-CD1 3.87Å; T151-I156 HydrophobicContact CG2-CG1 3.61Å; A152-I156 PolarHBondContact O-N 3.23Å; P153-I156 PolarHBondContact O-N 3.36Å; I156-H158 VanDerWaalsContact C-N 3.32Å; I156-H158 PolarHBondContact O-N 3.04Å; I156-L159 PolarHBondContact O-N 3.38Å; I156-M160 WeakPolarHBondContact O-CB 3.45Å; I156-M160 PolarHBondContact O-N 3.13Å; I156-I185 HydrophobicContact CD1-CD1 4.26Å; I156-V189 HydrophobicContact CB-CG1 3.99Å; I156-V189 HydrophobicContact CG2-CG1 3.54Å; I156-W192 HydrophobicContact CG2-CE3 3.69Å; I156-W192 HydrophobicContact CG2-CZ3 3.72Å; I156-Y193 HydrophobicContact CD1-CD1 3.57Å; I156-Y193 HydrophobicContact CD1-CD2 4.22Å; I156-Y193 HydrophobicContact CD1-CE1 3.58Å; I156-Y193 HydrophobicContact CD1-CE2 4.24Å; I156-Y193 HydrophobicContact CD1-CG 3.9Å; I156-Y193 HydrophobicContact CG2-CD2 4.39Å; I156-Y193 HydrophobicContact CG2-CG 4.32Å
157R82.7Confident89.9Confident50 Ų5034 Ų3419%0.18919%0.189CC..Hα-helixtrans-58.9-42.3176.6-77.4-170.2-58.7-95.47.4112P153 T154 K161 E183 V189P153-R157 WeakPolarHBondContact O-CB 3.4Å; P153-R157 WeakPolarHBondContact O-CG 3.37Å; P153-R157 PolarHBondContact O-N 3.06Å; T154-R157 PolarHBondContact O-N 2.9Å; T154-R157 PolarHBondContact OG1-NH2 2.74Å; R157-K161 WeakPolarHBondContact O-CG 3.37Å; R157-K161 PolarHBondContact O-N 3.48Å; R157-E183 IonicContact CZ-OE1 3.05Å; R157-E183 IonicContact CZ-OE2 3.63Å; R157-E183 IonicContact NH1-OE1 2.81Å; R157-E183 IonicContact NH1-OE2 3.61Å; R157-E183 IonicContact NH2-OE1 2.91Å; R157-E183 PolarHBondContact NH2-OE1 3.01Å; R157-E183 IonicContact NH2-OE2 3.79Å; R157-E183 PolarHBondContact NH2-OE2 2.96Å; R157-V189 HydrophobicContact CG-CG1 4.16Å; R157-V189 HydrophobicContact CG-CG2 3.53Å
158H78.4Confident89.7Confident80 Ų8040 Ų4037%0.3722%0.217SC..Hα-helixtrans-65.6-48.1178.2-159.9157.1000110.6T154 A155 I156 M160 K161 F162T154-H158 WeakPolarHBondContact O-CB 3.41Å; T154-H158 PolarHBondContact O-N 2.92Å; A155-H158 PolarHBondContact O-N 3.08Å; I156-H158 VanDerWaalsContact C-N 3.32Å; I156-H158 PolarHBondContact O-N 3.04Å; H158-M160 VanDerWaalsContact C-N 3.29Å; H158-M160 PolarHBondContact O-N 2.85Å; H158-K161 WeakPolarHBondContact O-CB 3.15Å; H158-K161 PolarHBondContact O-N 3.09Å; H158-K161 VanDerWaalsContact O-N 3.11Å; H158-F162 AromaticContact CD2-CE2 3.39Å; H158-F162 WeakPolarHBondContact CD2-CE2 3.41Å; H158-F162 AromaticContact CD2-CZ 3.96Å; H158-F162 AromaticContact NE2-CE2 3.68Å; H158-F162 AromaticContact NE2-CZ 3.77Å; H158-F162 WeakPolarHBondContact O-CD2 3.29Å
159L87.8Confident89.6Confident7 Ų745 Ų454%0.03724%0.239CC..Hα-helixtrans-61-38.3178.3-70.9162.8000112.3P129 P134 Y137 W138 A155 I156 K161 F162 W192P129-L159 HydrophobicContact CB-CD1 4.16Å; P129-L159 HydrophobicContact CB-CD2 4.14Å; P129-L159 HydrophobicContact CB-CG 4.36Å; P134-L159 HydrophobicContact CB-CD2 4.49Å; P134-L159 WeakPolarHBondContact O-CD2 3.05Å; Y137-L159 HydrophobicContact CD2-CD1 3.67Å; Y137-L159 HydrophobicContact CE2-CD1 4.11Å; W138-L159 HydrophobicContact CH2-CD1 3.94Å; W138-L159 HydrophobicContact CZ2-CB 4.14Å; W138-L159 HydrophobicContact CZ2-CD1 3.59Å; W138-L159 HydrophobicContact CZ2-CD2 4.4Å; W138-L159 HydrophobicContact CZ2-CG 4.25Å; A155-L159 WeakPolarHBondContact O-CB 2.92Å; A155-L159 WeakPolarHBondContact O-CD1 3.31Å; A155-L159 VanDerWaalsContact O-CG 3.31Å; A155-L159 WeakPolarHBondContact O-CG 3.04Å; A155-L159 PolarHBondContact O-N 3.1Å; I156-L159 PolarHBondContact O-N 3.38Å; L159-K161 PolarHBondContact O-N 3.47Å; L159-F162 PolarHBondContact O-N 2.91Å; L159-W192 HydrophobicContact CB-CH2 4.39Å
160M87.6Confident89.5Confident71 Ų7145.4 Ų45.435%0.3524%0.241SC..Hα-helixtrans-57.3-33.6176-173.7175.785.300112.8I156 H158 F162 G163 V189 W192I156-M160 WeakPolarHBondContact O-CB 3.45Å; I156-M160 PolarHBondContact O-N 3.13Å; H158-M160 VanDerWaalsContact C-N 3.29Å; H158-M160 PolarHBondContact O-N 2.85Å; M160-F162 VanDerWaalsContact C-N 3.3Å; M160-F162 PolarHBondContact O-N 3.22Å; M160-G163 PolarHBondContact O-N 3.33Å; M160-V189 HydrophobicContact CE-CG2 4.38Å; M160-V189 HydrophobicContact SD-CG2 4.47Å; M160-W192 HydrophobicContact CB-CD2 4.11Å; M160-W192 HydrophobicContact CB-CE3 4.49Å; M160-W192 HydrophobicContact CB-CZ2 4.19Å; M160-W192 HydrophobicContact CG-CD2 3.95Å; M160-W192 HydrophobicContact CG-CG 3.85Å; M160-W192 HydrophobicContact SD-CB 3.92Å; M160-W192 HydrophobicContact SD-CD2 4.3Å; M160-W192 HydrophobicContact SD-CG 3.78Å
161K84.6Confident89.4Confident110 Ų11052.5 Ų52.548%0.47827%0.272SS..Hα-helixtrans-66.8-27.1-179.8-67.6174.7-176.9-177.90113.6R157 H158 L159 G163 A337R157-K161 WeakPolarHBondContact O-CG 3.37Å; R157-K161 PolarHBondContact O-N 3.48Å; H158-K161 WeakPolarHBondContact O-CB 3.15Å; H158-K161 PolarHBondContact O-N 3.09Å; H158-K161 VanDerWaalsContact O-N 3.11Å; L159-K161 PolarHBondContact O-N 3.47Å; K161-G163 VanDerWaalsContact C-N 3.26Å; K161-G163 PolarHBondContact O-N 3.11Å; K161-A337 HydrophobicContact CD-CB 4.46Å; K161-A337 WeakPolarHBondContact CE-O 3.46Å; K161-A337 PolarHBondContact NZ-O 3.26Å
162F89.2Confident89.5Confident82 Ų8252.4 Ų52.436%0.3627%0.271SS..THydrogen-bonded Turntrans-78.6-10.4-179.5-66.2-75.8000113.3F130 P134 H158 L159 M160 Y166F130-F162 HydrophobicContact CB-CE2 4.48Å; P134-F162 HydrophobicContact CB-CB 3.79Å; P134-F162 HydrophobicContact CB-CD1 4.19Å; P134-F162 HydrophobicContact CB-CD2 3.65Å; P134-F162 HydrophobicContact CB-CE2 4.22Å; P134-F162 HydrophobicContact CB-CG 3.62Å; P134-F162 HydrophobicContact CG-CB 3.95Å; P134-F162 HydrophobicContact CG-CD1 3.47Å; P134-F162 VanDerWaalsContact CG-CD1 3.47Å; P134-F162 HydrophobicContact CG-CD2 3.75Å; P134-F162 HydrophobicContact CG-CE1 3.79Å; P134-F162 HydrophobicContact CG-CE2 4.03Å; P134-F162 HydrophobicContact CG-CG 3.44Å; P134-F162 VanDerWaalsContact CG-CG 3.44Å; P134-F162 HydrophobicContact CG-CZ 4.06Å; H158-F162 AromaticContact CD2-CE2 3.39Å; H158-F162 WeakPolarHBondContact CD2-CE2 3.41Å; H158-F162 AromaticContact CD2-CZ 3.96Å; H158-F162 AromaticContact NE2-CE2 3.68Å; H158-F162 AromaticContact NE2-CZ 3.77Å; H158-F162 WeakPolarHBondContact O-CD2 3.29Å; L159-F162 PolarHBondContact O-N 2.91Å; M160-F162 VanDerWaalsContact C-N 3.3Å; M160-F162 PolarHBondContact O-N 3.22Å; F162-Y166 HydrophobicContact CB-CD2 3.72Å; F162-Y166 HydrophobicContact CB-CE2 3.86Å; F162-Y166 WeakPolarHBondContact O-CD2 3.49Å; F162-Y166 WeakPolarHBondContact O-CE2 3Å
163G89.1Confident90Very high31 Ų3155.6 Ų55.632%0.3228%0.283SS..  trans90.5166177.500000114.3M160 K161 A165M160-G163 PolarHBondContact O-N 3.33Å; K161-G163 VanDerWaalsContact C-N 3.26Å; K161-G163 PolarHBondContact O-N 3.11Å; G163-A165 VanDerWaalsContact C-N 3.35Å; G163-A165 PolarHBondContact O-N 2.85Å
164A94.2Very high90.7Very high36 Ų3661.5 Ų61.530%0.29831%0.306SS..THydrogen-bonded Turntrans-69.2-28.4-167.400000114.6Y166 V167 E168 L196A164-Y166 PolarHBondContact O-N 3.37Å; A164-Y166 VanDerWaalsContact O-N 3.11Å; A164-V167 PolarHBondContact O-N 2.97Å; A164-E168 HydrophobicContact CB-CG 4.45Å; A164-E168 WeakPolarHBondContact O-CG 3.48Å; A164-E168 PolarHBondContact O-N 2.79Å; A164-L196 HydrophobicContact CB-CD1 3.98Å; A164-L196 HydrophobicContact CB-CD2 3.74Å
165A96.7Very high91.7Very high69 Ų6960.2 Ų60.257%0.5730%0.298SS*.Hα-helixtrans-57.2-31.7-174.600000113.8G163 V167 K169G163-A165 VanDerWaalsContact C-N 3.35Å; G163-A165 PolarHBondContact O-N 2.85Å; A165-V167 VanDerWaalsContact C-N 3.34Å; A165-K169 PolarHBondContact O-N 2.87Å
166Y96.3Very high92.6Very high89 Ų8964.1 Ų64.135%0.34931%0.314SS..Hα-helixtrans-69.8-30.2177-69.5-74.2000112.7D133 P134 S135 W138 F162 A164D133-Y166 HydrophobicContact CB-CE1 4.49Å; P134-Y166 HydrophobicContact CB-CD1 4.06Å; P134-Y166 HydrophobicContact CB-CD2 4.1Å; P134-Y166 HydrophobicContact CB-CE1 4.39Å; P134-Y166 HydrophobicContact CB-CE2 4.43Å; P134-Y166 HydrophobicContact CB-CG 3.89Å; P134-Y166 HydrophobicContact CG-CD1 4.33Å; P134-Y166 HydrophobicContact CG-CD2 4.42Å; P134-Y166 HydrophobicContact CG-CE1 4.16Å; P134-Y166 HydrophobicContact CG-CE2 4.25Å; P134-Y166 HydrophobicContact CG-CG 4.45Å; S135-Y166 VanDerWaalsContact CB-O 3.29Å; S135-Y166 WeakPolarHBondContact CB-O 3.46Å; S135-Y166 WeakPolarHBondContact OG-CB 3.2Å; S135-Y166 VanDerWaalsContact OG-CD1 3.28Å; S135-Y166 WeakPolarHBondContact OG-CD1 3.15Å; S135-Y166 PolarHBondContact OG-O 3.13Å; S135-Y166 VanDerWaalsContact OG-O 3.1Å; W138-Y166 VanDerWaalsContact CD1-O 3.3Å; F162-Y166 HydrophobicContact CB-CD2 3.72Å; F162-Y166 HydrophobicContact CB-CE2 3.86Å; F162-Y166 WeakPolarHBondContact O-CD2 3.49Å; F162-Y166 WeakPolarHBondContact O-CE2 3Å; A164-Y166 PolarHBondContact O-N 3.37Å; A164-Y166 VanDerWaalsContact O-N 3.11Å
167V96.8Very high93.1Very high3 Ų364.3 Ų64.32%0.01832%0.315CS..Hα-helixtrans-81.1-44.5173.9-170.50000110.4W138 A164 A165 K169 C170 L172 W192 L196 V197W138-V167 HydrophobicContact CZ2-CG2 4.15Å; A164-V167 PolarHBondContact O-N 2.97Å; A165-V167 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 3.43Å; V167-C170 PolarHBondContact O-N 3.3Å; V167-L172 HydrophobicContact CG1-CD1 3.79Å; V167-W192 HydrophobicContact CG2-CH2 3.89Å; V167-W192 HydrophobicContact CG2-CZ2 3.9Å; V167-L196 HydrophobicContact CB-CD2 3.82Å; V167-L196 HydrophobicContact CB-CG 3.98Å; V167-L196 HydrophobicContact CG1-CD2 4.29Å; V167-L196 HydrophobicContact CG1-CG 3.99Å; V167-L196 HydrophobicContact CG2-CD2 3.65Å; V167-L196 HydrophobicContact CG2-CG 4.26Å; V167-V197 HydrophobicContact CG1-CG2 4.05Å
168E96.2Very high93.8Very high132 Ų13261.9 Ų61.962%0.61731%0.306SS*.Hα-helixtrans-66.7-21.5-172.9-70.7173.8161.700114A164 C170 L196A164-E168 HydrophobicContact CB-CG 4.45Å; A164-E168 WeakPolarHBondContact O-CG 3.48Å; A164-E168 PolarHBondContact O-N 2.79Å; E168-C170 PolarHBondContact O-N 2.87Å; E168-L196 HydrophobicContact CG-CD1 3.98Å
169K95.1Very high94.8Very high105 Ų10558.1 Ų58.146%0.45729%0.288SS..THydrogen-bonded Turntrans-70.2-12173.480.6-170.5-156.1-167.70113.5D133 S135 A165 V167D133-K169 VanDerWaalsContact CG-NZ 3.28Å; D133-K169 IonicContact OD1-NZ 3.65Å; D133-K169 PolarHBondContact OD1-NZ 3.37Å; D133-K169 IonicContact OD2-NZ 3.8Å; D133-K169 PolarHBondContact OD2-NZ 2.84Å; S135-K169 WeakPolarHBondContact OG-CE 3.4Å; S135-K169 PolarHBondContact OG-NZ 3.09Å; A165-K169 PolarHBondContact O-N 2.87Å; V167-K169 PolarHBondContact O-N 3.43Å
170C96.8Very high95.1Very high8 Ų857.8 Ų57.85%0.05429%0.286CS..SBendtrans-106.8151.1178.4-69.90000111.9W138 D142 V167 E168 L172W138-C170 HydrophobicContact CB-CB 3.76Å; W138-C170 VanDerWaalsContact CB-SG 3.59Å; D142-C170 VanDerWaalsContact OD2-CA 3.22Å; D142-C170 WeakPolarHBondContact OD2-CA 3.43Å; D142-C170 VanDerWaalsContact OD2-CB 3.22Å; D142-C170 WeakPolarHBondContact OD2-CB 3.37Å; V167-C170 PolarHBondContact O-N 3.3Å; E168-C170 PolarHBondContact O-N 2.87Å; C170-L172 HydrophobicContact CB-CD2 3.93Å; C170-L172 HydrophobicContact CB-CG 4.06Å
171K96.3Very high95.3Very high148 Ų14854.8 Ų54.864%0.64327%0.272SS*.  trans-80.8-47-175.4-66.5177.7-176.1172.50112.1D142 N173 K199D142-K171 PolarHBondContact OD1-N 2.89Å; D142-K171 PolarHBondContact OD2-N 2.83Å; K171-N173 PolarHBondContact O-N 3.34Å; K171-N173 PolarHBondContact O-OD1 3.3Å; K171-K199 VanDerWaalsContact O-CE 3.31Å; K171-K199 WeakPolarHBondContact O-CE 3.24Å; K171-K199 PolarHBondContact O-NZ 3.41Å
172L97.5Very high95.1Very high1 Ų153.1 Ų53.11%0.00529%0.286CS..  trans54.225.7177-47.3-178.2000114W138 I141 D142 V167 C170 R174 L175 V197 R201W138-L172 HydrophobicContact CB-CD2 4.04Å; I141-L172 HydrophobicContact CB-CD2 3.97Å; I141-L172 HydrophobicContact CG2-CD2 3.57Å; D142-L172 PolarHBondContact OD1-N 3.43Å; V167-L172 HydrophobicContact CG1-CD1 3.79Å; C170-L172 HydrophobicContact CB-CD2 3.93Å; C170-L172 HydrophobicContact CB-CG 4.06Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 2.76Å; L172-L175 HydrophobicContact CB-CD1 3.97Å; L172-V197 HydrophobicContact CD1-CG1 4.19Å; L172-R201 PolarHBondContact O-NH2 2.73Å
173N96.3Very high94.5Very high103 Ų10352 Ų5255%0.55128%0.282SS*.THydrogen-bonded Turntrans-75.1-25.3-169.9-73.3-17.7000112.8K171K171-N173 PolarHBondContact O-N 3.34Å; K171-N173 PolarHBondContact O-OD1 3.3Å
174R97.7Very high94Very high124 Ų12453.2 Ų53.247%0.46828%0.284SS..THydrogen-bonded Turntrans-79.5-19.9-179.2-62.4-72.3-83.2160.6-1.7113.3D145 V146 T147 L172 Q176D145-R174 HydrophobicContact CB-CG 3.98Å; D145-R174 WeakPolarHBondContact OD1-CG 3.4Å; V146-R174 CarbonylContact O-C 3.56Å; T147-R174 WeakPolarHBondContact CA-O 3.39Å; T147-R174 HydrophobicContact CG2-CB 4.46Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 2.76Å; R174-Q176 PolarHBondContact O-N 2.69Å
175L98.4Very high93.4Very high0 Ų051.7 Ų51.70%027%0.271CS..  trans-59.3137.2176.8-68.7175.9000111.6I141 V146 T147 F149 L172 L178 V197 R201 C202I141-L175 HydrophobicContact CD1-CD1 4.28Å; I141-L175 HydrophobicContact CD1-CD2 4.41Å; I141-L175 HydrophobicContact CG2-CD1 3.95Å; I141-L175 HydrophobicContact CG2-CD2 3.84Å; I141-L175 HydrophobicContact CG2-CG 3.74Å; V146-L175 HydrophobicContact CG1-CD2 4.06Å; V146-L175 WeakPolarHBondContact O-CD2 3.15Å; V146-L175 PolarHBondContact O-N 3.41Å; T147-L175 WeakPolarHBondContact O-CA 3.28Å; F149-L175 HydrophobicContact CB-CD2 3.82Å; L172-L175 HydrophobicContact CB-CD1 3.97Å; L175-L178 HydrophobicContact CD1-CD2 4.02Å; L175-L178 HydrophobicContact CD2-CD2 4.5Å; L175-V197 HydrophobicContact CD1-CG1 4.11Å; L175-R201 PolarHBondContact O-NH1 3.46Å; L175-C202 VanDerWaalsContact C-SG 3.52Å; L175-C202 PolarHBondContact O-SG 2.93Å
176Q98.2Very high92.6Very high97 Ų9750.4 Ų50.445%0.45326%0.255SS..  trans-129.7-40179.7-67.8171.1-20.100111.9T147 R174 C202 S203T147-Q176 PolarHBondContact O-N 3.1Å; R174-Q176 PolarHBondContact O-N 2.69Å; Q176-C202 CarbonylContact O-C 3.59Å; Q176-C202 WeakPolarHBondContact O-CA 3.24Å; Q176-C202 WeakPolarHBondContact O-CB 3.48Å; Q176-S203 PolarHBondContact O-N 3.48Å
177V98.4Very high92.1Very high4 Ų449 Ų492%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-127.6131.9178.4-172.20000109.8F88 T147 K148 F149 S203 V205 P222F88-V177 HydrophobicContact CD1-CG1 4.16Å; T147-V177 PolarHBondContact O-N 2.91Å; K148-V177 WeakPolarHBondContact CA-O 3.4Å; K148-V177 HydrophobicContact CD-CB 3.69Å; K148-V177 HydrophobicContact CD-CG2 3.66Å; F149-V177 PolarHBondContact N-O 2.64Å; V177-S203 WeakPolarHBondContact CA-O 3.39Å; V177-V205 HydrophobicContact CG1-CG1 4.08Å; V177-V205 HydrophobicContact CG1-CG2 3.9Å; V177-P222 HydrophobicContact CG1-CG 3.91Å; V177-P222 HydrophobicContact CG2-CB 4.06Å; V177-P222 HydrophobicContact CG2-CG 3.79Å
178L98.7Very high91.5Very high0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-110.9134.1171.4-60.5179.1000108.2F149 L175 Y193 V197 C202 S203 I204 V205F149-L178 HydrophobicContact CB-CD2 4.14Å; F149-L178 HydrophobicContact CD1-CD2 4.18Å; F149-L178 CarbonylContact O-C 3.58Å; F149-L178 WeakPolarHBondContact O-CA 3.5Å; L175-L178 HydrophobicContact CD1-CD2 4.02Å; L175-L178 HydrophobicContact CD2-CD2 4.5Å; L178-Y193 HydrophobicContact CB-CD1 4.29Å; L178-Y193 HydrophobicContact CB-CE1 3.62Å; L178-Y193 HydrophobicContact CB-CE2 4.43Å; L178-Y193 HydrophobicContact CD1-CD1 4.26Å; L178-Y193 HydrophobicContact CD1-CD2 4Å; L178-Y193 HydrophobicContact CD1-CE1 4.19Å; L178-Y193 HydrophobicContact CD1-CE2 3.9Å; L178-Y193 HydrophobicContact CD1-CG 4.17Å; L178-Y193 HydrophobicContact CD2-CE2 4.12Å; L178-Y193 HydrophobicContact CG-CE1 4.39Å; L178-Y193 HydrophobicContact CG-CE2 4.39Å; L178-V197 HydrophobicContact CD1-CB 4.39Å; L178-V197 HydrophobicContact CD1-CG1 4.33Å; L178-V197 HydrophobicContact CD2-CG1 4.15Å; L178-C202 HydrophobicContact CD1-CB 4.12Å; L178-C202 HydrophobicContact CG-CB 3.88Å; L178-S203 PolarHBondContact N-O 2.68Å; L178-I204 HydrophobicContact CB-CG1 4.21Å; L178-I204 HydrophobicContact CD1-CD1 4.48Å; L178-I204 HydrophobicContact CD1-CG1 4.42Å; L178-I204 CarbonylContact O-C 3.28Å; L178-I204 VanDerWaalsContact O-CA 3.22Å; L178-I204 WeakPolarHBondContact O-CA 3.46Å; L178-V205 PolarHBondContact O-N 3.07Å
179G98.2Very high91Very high0 Ų044.8 Ų44.80%025%0.249CC..EExtended strand (participates in β ladder)trans-115.9146.117800000112.2F149 Y150 T151 V205F149-G179 PolarHBondContact O-N 3.4Å; Y150-G179 VanDerWaalsContact CD2-C 3.5Å; T151-G179 PolarHBondContact N-O 3.2Å; G179-V205 CarbonylContact C-O 3.52Å; G179-V205 VanDerWaalsContact CA-O 3.3Å; G179-V205 WeakPolarHBondContact CA-O 3.29Å
180S94.3Very high91Very high0 Ų040.4 Ų40.40%023%0.229CC..EExtended strand (participates in β ladder)trans-122.4142171.6-144.10000111.5T151 P153 V205 T207T151-S180 WeakPolarHBondContact O-CA 3.3Å; P153-S180 WeakPolarHBondContact CD-OG 3.46Å; P153-S180 VanDerWaalsContact CG-OG 3.29Å; P153-S180 WeakPolarHBondContact CG-OG 2.93Å; S180-V205 PolarHBondContact N-O 3.44Å; S180-T207 PolarHBondContact O-N 2.83Å; S180-T207 PolarHBondContact O-OG1 3Å
181V92.1Very high90.9Very high9 Ų944.1 Ų44.16%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-152.9150.7-174.558.20000114.5T106 Y150 T151 P153 E183 W209T106-V181 HydrophobicContact CG2-CG1 4.12Å; T106-V181 HydrophobicContact CG2-CG2 4.4Å; Y150-V181 HydrophobicContact CD2-CB 4.41Å; Y150-V181 HydrophobicContact CD2-CG1 4.04Å; Y150-V181 HydrophobicContact CE1-CB 4.32Å; Y150-V181 HydrophobicContact CE1-CG1 4.01Å; Y150-V181 HydrophobicContact CE2-CB 3.44Å; Y150-V181 VanDerWaalsContact CE2-CB 3.44Å; Y150-V181 HydrophobicContact CE2-CG1 3.51Å; Y150-V181 HydrophobicContact CE2-CG2 4.37Å; Y150-V181 VanDerWaalsContact CZ-CG1 3.49Å; Y150-V181 WeakPolarHBondContact OH-CB 3.15Å; Y150-V181 WeakPolarHBondContact OH-CG2 3.4Å; T151-V181 PolarHBondContact O-N 3.3Å; P153-V181 WeakPolarHBondContact CD-O 3.4Å; V181-E183 PolarHBondContact O-N 2.84Å; V181-W209 HydrophobicContact CG2-CZ2 4.18Å
182G79.8Confident90.9Very high74 Ų7439 Ų3976%0.76323%0.225SC*.SBendtrans96.2-16.7161.200000114.4
183E77.7Confident90.8Very high58 Ų5839 Ų3927%0.27122%0.224SC..SBendtrans-157.9161.1174.765.2-171.4154.400110P153 T154 R157 V181 I185P153-E183 HydrophobicContact CB-CG 3.73Å; P153-E183 WeakPolarHBondContact CB-OE1 3.41Å; P153-E183 HydrophobicContact CG-CG 3.51Å; P153-E183 WeakPolarHBondContact CG-O 3.5Å; T154-E183 WeakPolarHBondContact CA-OE1 3.36Å; T154-E183 VanDerWaalsContact CB-OE1 3.29Å; T154-E183 WeakPolarHBondContact CB-OE1 3.4Å; T154-E183 PolarHBondContact N-OE1 2.63Å; T154-E183 PolarHBondContact OG1-OE1 3.16Å; T154-E183 PolarHBondContact OG1-OE2 2.91Å; R157-E183 IonicContact CZ-OE1 3.05Å; R157-E183 IonicContact CZ-OE2 3.63Å; R157-E183 IonicContact NH1-OE1 2.81Å; R157-E183 IonicContact NH1-OE2 3.61Å; R157-E183 IonicContact NH2-OE1 2.91Å; R157-E183 PolarHBondContact NH2-OE1 3.01Å; R157-E183 IonicContact NH2-OE2 3.79Å; R157-E183 PolarHBondContact NH2-OE2 2.96Å; V181-E183 PolarHBondContact O-N 2.84Å; E183-I185 PolarHBondContact O-N 2.91Å
184P78.4Confident90.9Very high58 Ų5836.9 Ų36.938%0.37721%0.209SC..  trans-58130.8173.9-24.934.9000112.2
185I81.5Confident90.9Very high3 Ų334 Ų342%0.01521%0.206CC..  trans-91114.9170.6-170.7171.6000109.7P153 I156 E183 V189 W190 D206 G230P153-I185 HydrophobicContact CB-CB 4.34Å; P153-I185 HydrophobicContact CB-CG1 4.4Å; P153-I185 HydrophobicContact CG-CB 3.97Å; P153-I185 HydrophobicContact CG-CG1 4.43Å; I156-I185 HydrophobicContact CD1-CD1 4.26Å; E183-I185 PolarHBondContact O-N 2.91Å; I185-V189 HydrophobicContact CD1-CG1 4.09Å; I185-V189 HydrophobicContact CG1-CB 4.15Å; I185-V189 HydrophobicContact CG1-CG1 3.94Å; I185-W190 HydrophobicContact CD1-CB 4.03Å; I185-W190 HydrophobicContact CD1-CG 4.49Å; I185-W190 HydrophobicContact CG1-CB 4.13Å; I185-D206 HydrophobicContact CG2-CB 4.3Å; I185-D206 WeakPolarHBondContact CG2-OD2 3.29Å; I185-G230 WeakPolarHBondContact O-CA 3.29Å
186N79.1Confident90.8Very high43 Ų4335.4 Ų35.423%0.2321%0.213CC..  trans-67.9152.1177.670.978.5000111.4G188 V189 W190N186-G188 VanDerWaalsContact C-N 3.25Å; N186-G188 PolarHBondContact O-N 3.13Å; N186-G188 VanDerWaalsContact O-N 3.13Å; N186-G188 PolarHBondContact OD1-N 2.82Å; N186-G188 VanDerWaalsContact OD1-N 3.16Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.45Å; N186-V189 PolarHBondContact O-N 2.9Å; N186-V189 VanDerWaalsContact O-N 3.13Å; N186-V189 WeakPolarHBondContact OD1-CG2 3.44Å; N186-V189 PolarHBondContact OD1-N 2.86Å; N186-W190 PolarHBondContact O-N 2.99Å
187P86.6Confident90.7Very high59 Ų5930.8 Ų30.838%0.38319%0.191SC..Hα-helixtrans-55.4-34.1-176.6-29.235000115W190 L191 P229P187-W190 PolarHBondContact O-N 3.36Å; P187-L191 WeakPolarHBondContact O-CB 3.06Å; P187-L191 VanDerWaalsContact O-CG 3.22Å; P187-L191 WeakPolarHBondContact O-CG 3.42Å; P187-L191 PolarHBondContact O-N 2.96Å; P187-P229 HydrophobicContact CB-CB 4.05Å
188G84.4Confident90.7Very high44 Ų4430.6 Ų30.645%0.45419%0.19SC..Hα-helixtrans-66.9-44.4179.200000112.5N186 L191 W192N186-G188 VanDerWaalsContact C-N 3.25Å; N186-G188 PolarHBondContact O-N 3.13Å; N186-G188 VanDerWaalsContact O-N 3.13Å; N186-G188 PolarHBondContact OD1-N 2.82Å; N186-G188 VanDerWaalsContact OD1-N 3.16Å; G188-L191 PolarHBondContact O-N 2.95Å; G188-W192 PolarHBondContact O-N 3.35Å
189V85.9Confident90.6Very high3 Ų334.6 Ų34.62%0.01821%0.207CC..Hα-helixtrans-67.3-41.1175.4175.50000110.8I156 R157 M160 I185 N186 L191 W192 Y193I156-V189 HydrophobicContact CB-CG1 3.99Å; I156-V189 HydrophobicContact CG2-CG1 3.54Å; R157-V189 HydrophobicContact CG-CG1 4.16Å; R157-V189 HydrophobicContact CG-CG2 3.53Å; M160-V189 HydrophobicContact CE-CG2 4.38Å; M160-V189 HydrophobicContact SD-CG2 4.47Å; I185-V189 HydrophobicContact CD1-CG1 4.09Å; I185-V189 HydrophobicContact CG1-CB 4.15Å; I185-V189 HydrophobicContact CG1-CG1 3.94Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.45Å; N186-V189 PolarHBondContact O-N 2.9Å; N186-V189 VanDerWaalsContact O-N 3.13Å; N186-V189 WeakPolarHBondContact OD1-CG2 3.44Å; N186-V189 PolarHBondContact OD1-N 2.86Å; V189-L191 PolarHBondContact O-N 3.47Å; V189-W192 PolarHBondContact O-N 3.03Å; V189-Y193 WeakPolarHBondContact O-CB 3.48Å; V189-Y193 PolarHBondContact O-N 3.43Å
190W94Very high90.6Very high12 Ų1240.9 Ų40.95%0.04524%0.235CC..Hα-helixtrans-57.8-47.8174.6-170.7103.7000111.3I185 N186 P187 W192 Y193 Y194 I204 M227 P229I185-W190 HydrophobicContact CD1-CB 4.03Å; I185-W190 HydrophobicContact CD1-CG 4.49Å; I185-W190 HydrophobicContact CG1-CB 4.13Å; N186-W190 PolarHBondContact O-N 2.99Å; P187-W190 PolarHBondContact O-N 3.36Å; W190-W192 PolarHBondContact O-N 2.92Å; W190-Y193 PolarHBondContact O-N 3.39Å; W190-Y194 HydrophobicContact CH2-CD1 4.39Å; W190-Y194 HydrophobicContact CH2-CD2 4.02Å; W190-Y194 AromaticContact CH2-CG 3.9Å; W190-Y194 HydrophobicContact CH2-CG 3.9Å; W190-Y194 AromaticContact CZ3-CD1 3.99Å; W190-Y194 HydrophobicContact CZ3-CD1 3.99Å; W190-Y194 HydrophobicContact CZ3-CD2 4.32Å; W190-Y194 AromaticContact CZ3-CG 3.72Å; W190-Y194 HydrophobicContact CZ3-CG 3.72Å; W190-Y194 WeakPolarHBondContact O-CB 3.48Å; W190-Y194 PolarHBondContact O-N 3.2Å; W190-I204 HydrophobicContact CD2-CD1 4.05Å; W190-I204 HydrophobicContact CG-CD1 4.45Å; W190-I204 HydrophobicContact CH2-CD1 4.45Å; W190-I204 HydrophobicContact CZ2-CB 3.81Å; W190-I204 HydrophobicContact CZ2-CD1 4Å; W190-I204 HydrophobicContact CZ2-CG1 4.03Å; W190-M227 HydrophobicContact CH2-CB 4.45Å; W190-M227 HydrophobicContact CH2-CE 4.25Å; W190-M227 HydrophobicContact CH2-SD 4.48Å; W190-M227 HydrophobicContact CZ2-CB 3.99Å; W190-M227 HydrophobicContact CZ2-CE 4.32Å; W190-M227 HydrophobicContact CZ2-SD 3.96Å; W190-P229 HydrophobicContact CB-CB 4.15Å; W190-P229 HydrophobicContact CD2-CB 3.69Å; W190-P229 HydrophobicContact CD2-CG 4.05Å; W190-P229 HydrophobicContact CE3-CB 3.59Å; W190-P229 HydrophobicContact CE3-CG 3.56Å; W190-P229 HydrophobicContact CG-CB 3.93Å; W190-P229 HydrophobicContact CH2-CG 4.37Å; W190-P229 HydrophobicContact CZ3-CB 4.3Å; W190-P229 HydrophobicContact CZ3-CG 3.76Å
191L95.6Very high90.7Very high86 Ų8647 Ų4745%0.4526%0.258SS..Hα-helixtrans-66.2-37.3-179.8-75.7169000112.6P187 G188 V189 T195 P229P187-L191 WeakPolarHBondContact O-CB 3.06Å; P187-L191 VanDerWaalsContact O-CG 3.22Å; P187-L191 WeakPolarHBondContact O-CG 3.42Å; P187-L191 PolarHBondContact O-N 2.96Å; G188-L191 PolarHBondContact O-N 2.95Å; V189-L191 PolarHBondContact O-N 3.47Å; L191-T195 WeakPolarHBondContact O-CB 3.5Å; L191-T195 PolarHBondContact O-N 3.24Å; L191-T195 PolarHBondContact O-OG1 3.48Å; L191-P229 HydrophobicContact CD2-CG 4.31Å
192W95.3Very high90.9Very high41 Ų4146.6 Ų46.616%0.15526%0.256CS..Hα-helixtrans-61.5-46.8172.2-178.692.7000111W138 I156 L159 M160 V167 G188 V189 W190 T195 L196 V197W138-W192 HydrophobicContact CZ2-CH2 4.21Å; I156-W192 HydrophobicContact CG2-CE3 3.69Å; I156-W192 HydrophobicContact CG2-CZ3 3.72Å; L159-W192 HydrophobicContact CB-CH2 4.39Å; M160-W192 HydrophobicContact CB-CD2 4.11Å; M160-W192 HydrophobicContact CB-CE3 4.49Å; M160-W192 HydrophobicContact CB-CZ2 4.19Å; M160-W192 HydrophobicContact CG-CD2 3.95Å; M160-W192 HydrophobicContact CG-CG 3.85Å; M160-W192 HydrophobicContact SD-CB 3.92Å; M160-W192 HydrophobicContact SD-CD2 4.3Å; M160-W192 HydrophobicContact SD-CG 3.78Å; V167-W192 HydrophobicContact CG2-CH2 3.89Å; V167-W192 HydrophobicContact CG2-CZ2 3.9Å; G188-W192 PolarHBondContact O-N 3.35Å; V189-W192 PolarHBondContact O-N 3.03Å; W190-W192 PolarHBondContact O-N 2.92Å; W192-T195 PolarHBondContact O-N 2.85Å; W192-L196 HydrophobicContact CD2-CD2 4.47Å; W192-L196 HydrophobicContact CH2-CD2 4.38Å; W192-L196 HydrophobicContact CZ2-CD2 3.51Å; W192-L196 VanDerWaalsContact O-CB 3.31Å; W192-L196 WeakPolarHBondContact O-CB 3.5Å; W192-L196 PolarHBondContact O-N 2.87Å; W192-V197 HydrophobicContact CE3-CG2 4.48Å; W192-V197 HydrophobicContact CH2-CG2 4.05Å; W192-V197 HydrophobicContact CZ3-CG2 3.75Å
193Y96.6Very high91.8Very high0 Ų044.8 Ų44.80%023%0.231CC..Iπ-helixtrans-64.2-44.5-179.3-166.9-149.3000111.6F149 I156 L178 V189 W190 V197 G198 I204F149-Y193 HydrophobicContact CD1-CE2 4.24Å; F149-Y193 WeakPolarHBondContact CD1-OH 3.35Å; F149-Y193 HydrophobicContact CE1-CE2 4.22Å; F149-Y193 WeakPolarHBondContact CE1-OH 3.04Å; I156-Y193 HydrophobicContact CD1-CD1 3.57Å; I156-Y193 HydrophobicContact CD1-CD2 4.22Å; I156-Y193 HydrophobicContact CD1-CE1 3.58Å; I156-Y193 HydrophobicContact CD1-CE2 4.24Å; I156-Y193 HydrophobicContact CD1-CG 3.9Å; I156-Y193 HydrophobicContact CG2-CD2 4.39Å; I156-Y193 HydrophobicContact CG2-CG 4.32Å; L178-Y193 HydrophobicContact CB-CD1 4.29Å; L178-Y193 HydrophobicContact CB-CE1 3.62Å; L178-Y193 HydrophobicContact CB-CE2 4.43Å; L178-Y193 HydrophobicContact CD1-CD1 4.26Å; L178-Y193 HydrophobicContact CD1-CD2 4Å; L178-Y193 HydrophobicContact CD1-CE1 4.19Å; L178-Y193 HydrophobicContact CD1-CE2 3.9Å; L178-Y193 HydrophobicContact CD1-CG 4.17Å; L178-Y193 HydrophobicContact CD2-CE2 4.12Å; L178-Y193 HydrophobicContact CG-CE1 4.39Å; L178-Y193 HydrophobicContact CG-CE2 4.39Å; V189-Y193 WeakPolarHBondContact O-CB 3.48Å; V189-Y193 PolarHBondContact O-N 3.43Å; W190-Y193 PolarHBondContact O-N 3.39Å; Y193-V197 HydrophobicContact CD2-CB 3.75Å; Y193-V197 HydrophobicContact CD2-CG1 4.17Å; Y193-V197 HydrophobicContact CD2-CG2 3.77Å; Y193-V197 HydrophobicContact CE2-CB 4.03Å; Y193-V197 HydrophobicContact CE2-CG1 3.92Å; Y193-V197 HydrophobicContact CE2-CG2 4.19Å; Y193-V197 WeakPolarHBondContact O-CB 3.46Å; Y193-V197 PolarHBondContact O-N 3.22Å; Y193-G198 PolarHBondContact O-N 3.3Å; Y193-I204 HydrophobicContact CD1-CD1 3.94Å; Y193-I204 HydrophobicContact CG-CD1 4.35Å
194Y97.7Very high92.8Very high60 Ų6042 Ų4224%0.23522%0.218CC..Iπ-helixtrans-62.7-46.4175.9178.4-112.5000112.5W190 G198 K199 K200 C202 I204 M227W190-Y194 HydrophobicContact CH2-CD1 4.39Å; W190-Y194 HydrophobicContact CH2-CD2 4.02Å; W190-Y194 AromaticContact CH2-CG 3.9Å; W190-Y194 HydrophobicContact CH2-CG 3.9Å; W190-Y194 AromaticContact CZ3-CD1 3.99Å; W190-Y194 HydrophobicContact CZ3-CD1 3.99Å; W190-Y194 HydrophobicContact CZ3-CD2 4.32Å; W190-Y194 AromaticContact CZ3-CG 3.72Å; W190-Y194 HydrophobicContact CZ3-CG 3.72Å; W190-Y194 WeakPolarHBondContact O-CB 3.48Å; W190-Y194 PolarHBondContact O-N 3.2Å; Y194-G198 CarbonylContact O-C 3.23Å; Y194-G198 VanDerWaalsContact O-C 3.3Å; Y194-G198 WeakPolarHBondContact O-CA 3.47Å; Y194-K199 PolarHBondContact O-N 3.19Å; Y194-K200 HydrophobicContact CD1-CG 4.3Å; Y194-K200 HydrophobicContact CE1-CB 3.86Å; Y194-K200 HydrophobicContact CE1-CG 3.95Å; Y194-K200 PolarHBondContact O-N 3.1Å; Y194-K200 PolarHBondContact OH-O 3.37Å; Y194-C202 WeakPolarHBondContact CE2-O 3.13Å; Y194-I204 HydrophobicContact CD2-CD1 4.36Å; Y194-I204 HydrophobicContact CD2-CG1 4.32Å; Y194-I204 HydrophobicContact CG-CD1 4.47Å; Y194-M227 HydrophobicContact CE2-CE 4.25Å
195T97.2Very high93.7Very high64 Ų6439.3 Ų39.339%0.39320%0.2SC..Iπ-helixtrans-77.7-48.5-172.3-61.10000112.1L191 W192 K199 K200L191-T195 WeakPolarHBondContact O-CB 3.5Å; L191-T195 PolarHBondContact O-N 3.24Å; L191-T195 PolarHBondContact O-OG1 3.48Å; W192-T195 PolarHBondContact O-N 2.85Å; T195-K199 VanDerWaalsContact O-CA 3.29Å; T195-K199 WeakPolarHBondContact O-CA 3.48Å; T195-K199 PolarHBondContact O-N 3.46Å; T195-K200 HydrophobicContact CG2-CG 4.35Å
196L96.1Very high94.4Very high29 Ų2939.7 Ų39.715%0.15220%0.203CC..Iπ-helixtrans-89.1-48.7-169.6-166.869.1000112.1A164 V167 E168 W192A164-L196 HydrophobicContact CB-CD1 3.98Å; A164-L196 HydrophobicContact CB-CD2 3.74Å; V167-L196 HydrophobicContact CB-CD2 3.82Å; V167-L196 HydrophobicContact CB-CG 3.98Å; V167-L196 HydrophobicContact CG1-CD2 4.29Å; V167-L196 HydrophobicContact CG1-CG 3.99Å; V167-L196 HydrophobicContact CG2-CD2 3.65Å; V167-L196 HydrophobicContact CG2-CG 4.26Å; E168-L196 HydrophobicContact CG-CD1 3.98Å; W192-L196 HydrophobicContact CD2-CD2 4.47Å; W192-L196 HydrophobicContact CH2-CD2 4.38Å; W192-L196 HydrophobicContact CZ2-CD2 3.51Å; W192-L196 VanDerWaalsContact O-CB 3.31Å; W192-L196 WeakPolarHBondContact O-CB 3.5Å; W192-L196 PolarHBondContact O-N 2.87Å
197V97.6Very high95.3Very high0 Ų037.8 Ų37.80%019%0.193CC..Iπ-helixtrans-81.3-51.7179.9-176.50000110.1W138 V167 L172 L175 L178 W192 Y193 K199W138-V197 HydrophobicContact CE3-CG1 4.18Å; W138-V197 HydrophobicContact CH2-CG1 4.31Å; W138-V197 HydrophobicContact CH2-CG2 3.69Å; W138-V197 HydrophobicContact CZ2-CG2 4.2Å; W138-V197 HydrophobicContact CZ3-CB 4.48Å; W138-V197 HydrophobicContact CZ3-CG1 3.68Å; W138-V197 HydrophobicContact CZ3-CG2 3.9Å; V167-V197 HydrophobicContact CG1-CG2 4.05Å; L172-V197 HydrophobicContact CD1-CG1 4.19Å; L175-V197 HydrophobicContact CD1-CG1 4.11Å; L178-V197 HydrophobicContact CD1-CB 4.39Å; L178-V197 HydrophobicContact CD1-CG1 4.33Å; L178-V197 HydrophobicContact CD2-CG1 4.15Å; W192-V197 HydrophobicContact CE3-CG2 4.48Å; W192-V197 HydrophobicContact CH2-CG2 4.05Å; W192-V197 HydrophobicContact CZ3-CG2 3.75Å; Y193-V197 HydrophobicContact CD2-CB 3.75Å; Y193-V197 HydrophobicContact CD2-CG1 4.17Å; Y193-V197 HydrophobicContact CD2-CG2 3.77Å; Y193-V197 HydrophobicContact CE2-CB 4.03Å; Y193-V197 HydrophobicContact CE2-CG1 3.92Å; Y193-V197 HydrophobicContact CE2-CG2 4.19Å; Y193-V197 WeakPolarHBondContact O-CB 3.46Å; Y193-V197 PolarHBondContact O-N 3.22Å; V197-K199 PolarHBondContact O-N 3.38Å
198G97.7Very high95.8Very high0 Ų036 Ų360%018%0.178CC..SBendtrans-75.3-8.4-178.300000114.8Y193 Y194 K200 R201 C202Y193-G198 PolarHBondContact O-N 3.3Å; Y194-G198 CarbonylContact O-C 3.23Å; Y194-G198 VanDerWaalsContact O-C 3.3Å; Y194-G198 WeakPolarHBondContact O-CA 3.47Å; G198-K200 PolarHBondContact O-N 3.16Å; G198-K200 VanDerWaalsContact O-N 3.11Å; G198-R201 PolarHBondContact O-N 2.98Å; G198-C202 VanDerWaalsContact CA-SG 3.6Å; G198-C202 PolarHBondContact O-N 3.15Å; G198-C202 VanDerWaalsContact O-N 3.14Å; G198-C202 PolarHBondContact O-SG 2.9Å; G198-C202 VanDerWaalsContact O-SG 3.39Å
199K97.1Very high96.5Very high83 Ų8335 Ų3536%0.36116%0.161SC..THydrogen-bonded Turntrans50.432.1-177.1-61.6-171.8174.2-174.50113.6K171 Y194 T195 V197 R201K171-K199 VanDerWaalsContact O-CE 3.31Å; K171-K199 WeakPolarHBondContact O-CE 3.24Å; K171-K199 PolarHBondContact O-NZ 3.41Å; Y194-K199 PolarHBondContact O-N 3.19Å; T195-K199 VanDerWaalsContact O-CA 3.29Å; T195-K199 WeakPolarHBondContact O-CA 3.48Å; T195-K199 PolarHBondContact O-N 3.46Å; V197-K199 PolarHBondContact O-N 3.38Å; K199-R201 PolarHBondContact O-N 3.39Å; K199-R201 VanDerWaalsContact O-N 3.15Å
200K97Very high96.9Very high133 Ų13336 Ų3658%0.57817%0.165SC*.THydrogen-bonded Turntrans56.620.6-173.7-50.7-178.4-177-1780114.7Y194 T195 G198Y194-K200 HydrophobicContact CD1-CG 4.3Å; Y194-K200 HydrophobicContact CE1-CB 3.86Å; Y194-K200 HydrophobicContact CE1-CG 3.95Å; Y194-K200 PolarHBondContact O-N 3.1Å; Y194-K200 PolarHBondContact OH-O 3.37Å; T195-K200 HydrophobicContact CG2-CG 4.35Å; G198-K200 PolarHBondContact O-N 3.16Å; G198-K200 VanDerWaalsContact O-N 3.11Å
201R96.7Very high96.9Very high128 Ų12836.6 Ų36.648%0.48317%0.17SC..THydrogen-bonded Turntrans-112.7-33.2179.1-65.2179.6-6095.12.5112.6L172 L175 G198 K199L172-R201 PolarHBondContact O-NH2 2.73Å; L175-R201 PolarHBondContact O-NH1 3.46Å; G198-R201 PolarHBondContact O-N 2.98Å; K199-R201 PolarHBondContact O-N 3.39Å; K199-R201 VanDerWaalsContact O-N 3.15Å
202C97.7Very high97Very high1 Ų133.4 Ų33.41%0.00715%0.153CC..SBendtrans-77.6143.1-175.6-57.40000111.3L175 Q176 L178 Y194 G198L175-C202 VanDerWaalsContact C-SG 3.52Å; L175-C202 PolarHBondContact O-SG 2.93Å; Q176-C202 CarbonylContact O-C 3.59Å; Q176-C202 WeakPolarHBondContact O-CA 3.24Å; Q176-C202 WeakPolarHBondContact O-CB 3.48Å; L178-C202 HydrophobicContact CD1-CB 4.12Å; L178-C202 HydrophobicContact CG-CB 3.88Å; Y194-C202 WeakPolarHBondContact CE2-O 3.13Å; G198-C202 VanDerWaalsContact CA-SG 3.6Å; G198-C202 PolarHBondContact O-N 3.15Å; G198-C202 VanDerWaalsContact O-N 3.14Å; G198-C202 PolarHBondContact O-SG 2.9Å; G198-C202 VanDerWaalsContact O-SG 3.39Å
203S97.7Very high97.1Very high35 Ų3531.4 Ų31.425%0.24515%0.146CC..EExtended strand (participates in β ladder)trans-71.8145.3163.5-630000109.2Q176 V177 L178Q176-S203 PolarHBondContact O-N 3.48Å; V177-S203 WeakPolarHBondContact CA-O 3.39Å; L178-S203 PolarHBondContact N-O 2.68Å
204I98Very high97.2Very high1 Ų131.4 Ų31.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-109.9122.5169.7-55.2-165.2000109.1L178 W190 Y193 Y194 T220 M227L178-I204 HydrophobicContact CB-CG1 4.21Å; L178-I204 HydrophobicContact CD1-CD1 4.48Å; L178-I204 HydrophobicContact CD1-CG1 4.42Å; L178-I204 CarbonylContact O-C 3.28Å; L178-I204 VanDerWaalsContact O-CA 3.22Å; L178-I204 WeakPolarHBondContact O-CA 3.46Å; W190-I204 HydrophobicContact CD2-CD1 4.05Å; W190-I204 HydrophobicContact CG-CD1 4.45Å; W190-I204 HydrophobicContact CH2-CD1 4.45Å; W190-I204 HydrophobicContact CZ2-CB 3.81Å; W190-I204 HydrophobicContact CZ2-CD1 4Å; W190-I204 HydrophobicContact CZ2-CG1 4.03Å; Y193-I204 HydrophobicContact CD1-CD1 3.94Å; Y193-I204 HydrophobicContact CG-CD1 4.35Å; Y194-I204 HydrophobicContact CD2-CD1 4.36Å; Y194-I204 HydrophobicContact CD2-CG1 4.32Å; Y194-I204 HydrophobicContact CG-CD1 4.47Å; I204-T220 PolarHBondContact O-OG1 3.43Å; I204-M227 HydrophobicContact CB-SD 4.19Å; I204-M227 PolarHBondContact N-SD 2.63Å; I204-M227 VanDerWaalsContact O-SD 3.39Å
205V98.2Very high97.2Very high0 Ų028.6 Ų28.60%014%0.135CC..EExtended strand (participates in β ladder)trans-102.1106.7171.1-63.20000109.1V87 F88 V177 L178 G179 S180 T207 T220 P222V87-V205 HydrophobicContact CG1-CB 3.97Å; V87-V205 HydrophobicContact CG1-CG1 4.18Å; V87-V205 HydrophobicContact CG1-CG2 3.97Å; F88-V205 HydrophobicContact CD1-CG2 4.06Å; F88-V205 HydrophobicContact CE1-CG2 3.73Å; V177-V205 HydrophobicContact CG1-CG1 4.08Å; V177-V205 HydrophobicContact CG1-CG2 3.9Å; L178-V205 PolarHBondContact O-N 3.07Å; G179-V205 CarbonylContact C-O 3.52Å; G179-V205 VanDerWaalsContact CA-O 3.3Å; G179-V205 WeakPolarHBondContact CA-O 3.29Å; S180-V205 PolarHBondContact N-O 3.44Å; V205-T207 HydrophobicContact CB-CG2 4.25Å; V205-T207 HydrophobicContact CG2-CG2 4.15Å; V205-T220 WeakPolarHBondContact CG1-O 3.38Å; V205-P222 HydrophobicContact CG1-CG 3.77Å
206D96.6Very high97.3Very high12 Ų1225.5 Ų25.56%0.06412%0.116CC..EExtended strand (participates in β ladder)trans-86.9109.7170.2-174.620.4000108.2I185 A232I185-D206 HydrophobicContact CG2-CB 4.3Å; I185-D206 WeakPolarHBondContact CG2-OD2 3.29Å; D206-A232 WeakPolarHBondContact O-CA 3.49Å
207T98.1Very high97.4Very high3 Ų324.1 Ų24.12%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-103.2107.8-167.158.60000110.3V87 Y150 S180 V205V87-T207 HydrophobicContact CG1-CG2 3.87Å; Y150-T207 HydrophobicContact CE2-CG2 4.36Å; Y150-T207 WeakPolarHBondContact CE2-OG1 3.39Å; Y150-T207 PolarHBondContact OH-OG1 3.08Å; S180-T207 PolarHBondContact O-N 2.83Å; S180-T207 PolarHBondContact O-OG1 3Å; V205-T207 HydrophobicContact CB-CG2 4.25Å; V205-T207 HydrophobicContact CG2-CG2 4.15Å
208Y97.4Very high97.5Very high21 Ų2124.1 Ų24.18%0.08211%0.109CC..BIsolated β-bridgetrans-92.9127.4172.4171.7-95.5000111M217 L218 L259 F261 T292 D294 I306Y208-M217 HydrophobicContact CD1-CB 4.39Å; Y208-M217 WeakPolarHBondContact O-CB 3.49Å; Y208-M217 PolarHBondContact O-N 3.45Å; Y208-L218 HydrophobicContact CD1-CB 4.42Å; Y208-L218 HydrophobicContact CD1-CD1 3.76Å; Y208-L218 HydrophobicContact CD1-CG 3.97Å; Y208-L218 HydrophobicContact CE1-CD1 4.44Å; Y208-L218 HydrophobicContact CG-CD1 4.38Å; Y208-L218 PolarHBondContact N-O 3.21Å; Y208-L218 PolarHBondContact O-N 3.26Å; Y208-L218 VanDerWaalsContact O-N 3.13Å; Y208-L259 HydrophobicContact CD1-CD2 4.11Å; Y208-L259 HydrophobicContact CE1-CD2 3.34Å; Y208-F261 HydrophobicContact CE1-CZ 4.35Å; Y208-T292 WeakPolarHBondContact OH-CB 3.35Å; Y208-T292 WeakPolarHBondContact OH-CG2 3.48Å; Y208-T292 PolarHBondContact OH-OG1 2.92Å; Y208-D294 HydrophobicContact CE2-CB 4.32Å; Y208-D294 WeakPolarHBondContact CE2-OD2 3.13Å; Y208-D294 PolarHBondContact OH-OD2 2.67Å; Y208-I306 HydrophobicContact CD1-CD1 3.98Å; Y208-I306 HydrophobicContact CD1-CG1 4.43Å; Y208-I306 HydrophobicContact CD2-CB 4.29Å; Y208-I306 HydrophobicContact CD2-CD1 3.73Å; Y208-I306 HydrophobicContact CD2-CG1 3.51Å; Y208-I306 HydrophobicContact CD2-CG2 3.98Å; Y208-I306 HydrophobicContact CE1-CD1 4.19Å; Y208-I306 HydrophobicContact CE2-CD1 3.92Å; Y208-I306 HydrophobicContact CE2-CG1 4.09Å; Y208-I306 HydrophobicContact CE2-CG2 3.95Å; Y208-I306 HydrophobicContact CG-CD1 3.73Å; Y208-I306 HydrophobicContact CG-CG1 3.69Å
209W98Very high97.5Very high23 Ų2324.3 Ų24.39%0.08711%0.11CC..  trans-172.9177.2177.160.5-65.4000110.5I105 T106 Y110 Y150 V181 T213 G215 H216 M217I105-W209 HydrophobicContact CB-CH2 4.27Å; I105-W209 HydrophobicContact CB-CZ3 4.19Å; I105-W209 HydrophobicContact CG1-CH2 3.96Å; I105-W209 HydrophobicContact CG1-CZ3 3.51Å; I105-W209 HydrophobicContact CG2-CE3 4.43Å; I105-W209 HydrophobicContact CG2-CH2 3.74Å; I105-W209 HydrophobicContact CG2-CZ2 4.45Å; I105-W209 HydrophobicContact CG2-CZ3 3.74Å; T106-W209 HydrophobicContact CG2-CZ2 4.15Å; T106-W209 WeakPolarHBondContact OG1-CZ2 3.46Å; Y110-W209 AromaticContact CD2-CH2 3.55Å; Y110-W209 HydrophobicContact CD2-CH2 3.55Å; Y110-W209 AromaticContact CD2-CZ2 3.39Å; Y110-W209 HydrophobicContact CD2-CZ2 3.39Å; Y110-W209 HydrophobicContact CD2-CZ3 4.49Å; Y110-W209 HydrophobicContact CE2-CD2 4.25Å; Y110-W209 AromaticContact CE2-CE2 3.71Å; Y110-W209 HydrophobicContact CE2-CE3 4.34Å; Y110-W209 AromaticContact CE2-CH2 3.36Å; Y110-W209 HydrophobicContact CE2-CH2 3.36Å; Y110-W209 AromaticContact CE2-CZ2 3.28Å; Y110-W209 HydrophobicContact CE2-CZ2 3.28Å; Y110-W209 AromaticContact CE2-CZ3 3.91Å; Y110-W209 HydrophobicContact CE2-CZ3 3.91Å; Y150-W209 PolarHBondContact OH-NE1 3.2Å; V181-W209 HydrophobicContact CG2-CZ2 4.18Å; W209-T213 WeakPolarHBondContact CB-OG1 3.4Å; W209-G215 WeakPolarHBondContact CB-O 3.39Å; W209-H216 AromaticContact CD1-CD2 3.61Å; W209-H216 AromaticContact CE2-CD2 3.97Å; W209-H216 AromaticContact NE1-CD2 3.52Å; W209-H216 AromaticContact NE1-NE2 3.92Å; W209-M217 HydrophobicContact CB-CG 4.22Å
210Q94.9Very high97.5Very high23 Ų2320.6 Ų20.611%0.1079%0.094CC..  trans-137.4169-175.4-55.1-179.9-54.700110.9E212 T213 Y290 T292 D294Q210-E212 PolarHBondContact O-N 3.33Å; Q210-T213 HydrophobicContact CB-CG2 4Å; Q210-T213 HydrophobicContact CG-CG2 4.4Å; Q210-T213 PolarHBondContact N-OG1 2.91Å; Q210-T213 PolarHBondContact O-N 3.19Å; Q210-T213 VanDerWaalsContact O-N 3.14Å; Q210-T213 PolarHBondContact O-OG1 3.08Å; Q210-Y290 PolarHBondContact OE1-OH 3.23Å; Q210-T292 PolarHBondContact NE2-O 3.26Å; Q210-D294 PolarHBondContact NE2-OD2 3.29Å
211T94.1Very high97.5Very high25 Ų2515.7 Ų15.715%0.1537%0.074CC..G310 helixtrans-57-36.1173.5-600000111.8L57 T59 I69 H71 I105 T213L57-T211 HydrophobicContact CB-CG2 4.46Å; L57-T211 HydrophobicContact CD2-CG2 3.88Å; L57-T211 HydrophobicContact CG-CG2 4.37Å; T59-T211 HydrophobicContact CG2-CG2 3.44Å; T59-T211 VanDerWaalsContact CG2-CG2 3.44Å; I69-T211 HydrophobicContact CB-CG2 4.18Å; I69-T211 HydrophobicContact CG1-CG2 4.13Å; I69-T211 HydrophobicContact CG2-CG2 4.31Å; H71-T211 PolarHBondContact NE2-O 3.36Å; I105-T211 HydrophobicContact CB-CG2 4.12Å; I105-T211 HydrophobicContact CD1-CG2 4.31Å; I105-T211 HydrophobicContact CG1-CG2 4.39Å; T211-T213 VanDerWaalsContact C-N 3.32Å; T211-T213 PolarHBondContact O-N 3.05Å
212E97Very high97.5Very high19 Ų1910.3 Ų10.39%0.0896%0.056CC..G310 helixtrans-78-15.1-177.5-6193.8156.600113.7K67 I69 Q210 A269 Y283 Y290K67-E212 IonicContact NZ-OE1 3.81Å; I69-E212 HydrophobicContact CD1-CG 3.79Å; I69-E212 HydrophobicContact CG1-CG 4.09Å; I69-E212 HydrophobicContact CG2-CG 4.22Å; Q210-E212 PolarHBondContact O-N 3.33Å; E212-A269 HydrophobicContact CB-CB 4.36Å; E212-A269 WeakPolarHBondContact O-CB 3.26Å; E212-A269 PolarHBondContact O-N 2.86Å; E212-Y283 HydrophobicContact CB-CE1 4.21Å; E212-Y283 VanDerWaalsContact CD-OH 3.3Å; E212-Y283 HydrophobicContact CG-CE1 3.6Å; E212-Y283 HydrophobicContact CG-CE2 4.31Å; E212-Y283 VanDerWaalsContact CG-CZ 3.5Å; E212-Y283 WeakPolarHBondContact CG-OH 3.48Å; E212-Y283 WeakPolarHBondContact OE1-CE1 3.34Å; E212-Y283 PolarHBondContact OE1-OH 3.41Å; E212-Y290 VanDerWaalsContact CB-OH 3.29Å; E212-Y290 WeakPolarHBondContact CB-OH 3.35Å
213T98.2Very high97.2Very high0 Ų014.3 Ų14.30%010%0.097CC..G310 helixtrans-92.6-14.5179.670.50000113.1W209 Q210 T211 G215 M217 W265 G267W209-T213 WeakPolarHBondContact CB-OG1 3.4Å; Q210-T213 HydrophobicContact CB-CG2 4Å; Q210-T213 HydrophobicContact CG-CG2 4.4Å; Q210-T213 PolarHBondContact N-OG1 2.91Å; Q210-T213 PolarHBondContact O-N 3.19Å; Q210-T213 VanDerWaalsContact O-N 3.14Å; Q210-T213 PolarHBondContact O-OG1 3.08Å; T211-T213 VanDerWaalsContact C-N 3.32Å; T211-T213 PolarHBondContact O-N 3.05Å; T213-G215 PolarHBondContact O-N 2.97Å; T213-G215 PolarHBondContact OG1-O 2.86Å; T213-M217 HydrophobicContact CG2-CE 4.46Å; T213-M217 HydrophobicContact CG2-CG 3.63Å; T213-M217 HydrophobicContact CG2-SD 4.06Å; T213-W265 HydrophobicContact CG2-CH2 4.46Å; T213-W265 HydrophobicContact CG2-CZ2 3.73Å; T213-W265 PolarHBondContact O-NE1 2.78Å; T213-G267 CarbonylContact C-O 3.59Å; T213-G267 CarbonylContact O-C 3.07Å; T213-G267 VanDerWaalsContact O-C 3.3Å
214G98.2Very high96.9Very high0 Ų017.6 Ų17.60%012%0.119CC..  trans70.8-28.717800000115.4S109 G267S109-G214 PolarHBondContact OG-O 3.03Å; G214-G267 WeakPolarHBondContact CA-O 3.46Å; G214-G267 PolarHBondContact N-O 2.64Å
215G98.5Very high96.7Very high0 Ų019 Ų190%013%0.129CC..SBendtrans-156.8-176.6174.400000113.3Y110 W209 T213 M217Y110-G215 WeakPolarHBondContact OH-CA 3.17Å; W209-G215 WeakPolarHBondContact CB-O 3.39Å; T213-G215 PolarHBondContact O-N 2.97Å; T213-G215 PolarHBondContact OG1-O 2.86Å; G215-M217 PolarHBondContact O-N 2.62Å
216H98.6Very high96.5Very high0 Ų023 Ų230%016%0.155CC..  trans-55126.4-176.3-58.4157.3000112.6Y79 T83 V87 F88 Y110 Y150 W209Y79-H216 PolarHBondContact OH-O 3.13Å; T83-H216 HydrophobicContact CG2-CB 3.97Å; V87-H216 HydrophobicContact CG2-CB 4.28Å; V87-H216 WeakPolarHBondContact CG2-ND1 3.44Å; F88-H216 AromaticContact CE2-CE1 3.6Å; Y110-H216 AromaticContact CD2-NE2 3.75Å; Y110-H216 AromaticContact CE1-CE1 3.65Å; Y110-H216 AromaticContact CE1-NE2 3.77Å; Y110-H216 AromaticContact CE2-CD2 3.42Å; Y110-H216 VanDerWaalsContact CE2-CD2 3.42Å; Y110-H216 WeakPolarHBondContact CE2-CD2 3.48Å; Y110-H216 AromaticContact CE2-CE1 3.91Å; Y110-H216 AromaticContact CE2-NE2 3.16Å; Y110-H216 WeakPolarHBondContact CE2-NE2 3.42Å; Y110-H216 AromaticContact CZ-CD2 3.38Å; Y110-H216 AromaticContact CZ-CE1 3.47Å; Y110-H216 VanDerWaalsContact CZ-CE1 3.47Å; Y110-H216 AromaticContact CZ-CG 3.79Å; Y110-H216 AromaticContact CZ-ND1 3.82Å; Y110-H216 AromaticContact CZ-NE2 3.18Å; Y110-H216 PolarHBondContact OH-CD2 2.71Å; Y110-H216 VanDerWaalsContact OH-CG 3.25Å; Y110-H216 PolarHBondContact OH-N 3.04Å; Y110-H216 PolarHBondContact OH-NE2 3.41Å; Y150-H216 AromaticContact CZ-NE2 3.87Å; Y150-H216 PolarHBondContact OH-NE2 3.42Å; Y150-H216 VanDerWaalsContact OH-NE2 3.11Å; W209-H216 AromaticContact CD1-CD2 3.61Å; W209-H216 AromaticContact CE2-CD2 3.97Å; W209-H216 AromaticContact NE1-CD2 3.52Å; W209-H216 AromaticContact NE1-NE2 3.92Å
217M98.6Very high96.5Very high0 Ų025.4 Ų25.40%017%0.166CC..SBendtrans-101.9-46.2179.2-61.8-57.4-75.700111.7Y79 Y208 W209 T213 G215 F236 V239 F261 W265Y79-M217 HydrophobicContact CE1-SD 4.25Å; Y208-M217 HydrophobicContact CD1-CB 4.39Å; Y208-M217 WeakPolarHBondContact O-CB 3.49Å; Y208-M217 PolarHBondContact O-N 3.45Å; W209-M217 HydrophobicContact CB-CG 4.22Å; T213-M217 HydrophobicContact CG2-CE 4.46Å; T213-M217 HydrophobicContact CG2-CG 3.63Å; T213-M217 HydrophobicContact CG2-SD 4.06Å; G215-M217 PolarHBondContact O-N 2.62Å; M217-F236 PolarHBondContact O-N 2.77Å; M217-V239 HydrophobicContact CB-CG1 4.48Å; M217-V239 HydrophobicContact CE-CB 4.29Å; M217-V239 HydrophobicContact CE-CG1 3.61Å; M217-V239 HydrophobicContact CE-CG2 3.69Å; M217-V239 HydrophobicContact SD-CG2 3.92Å; M217-F261 HydrophobicContact CB-CE1 4.29Å; M217-F261 HydrophobicContact CB-CE2 4.34Å; M217-F261 HydrophobicContact CB-CZ 3.69Å; M217-F261 HydrophobicContact CE-CD1 3.97Å; M217-F261 HydrophobicContact CE-CD2 3.53Å; M217-F261 HydrophobicContact CE-CE1 3.85Å; M217-F261 HydrophobicContact CE-CE2 3.39Å; M217-F261 HydrophobicContact CE-CG 3.85Å; M217-F261 HydrophobicContact CE-CZ 3.57Å; M217-F261 HydrophobicContact CG-CE2 4.12Å; M217-F261 HydrophobicContact CG-CZ 3.97Å; M217-W265 HydrophobicContact CE-CD2 3.44Å; M217-W265 VanDerWaalsContact CE-CD2 3.44Å; M217-W265 VanDerWaalsContact CE-CE2 3.43Å; M217-W265 HydrophobicContact CE-CE3 3.61Å; M217-W265 HydrophobicContact CE-CG 4.1Å; M217-W265 HydrophobicContact CE-CH2 3.82Å; M217-W265 HydrophobicContact CE-CZ2 3.64Å; M217-W265 HydrophobicContact CE-CZ3 3.8Å; M217-W265 HydrophobicContact SD-CD2 4.09Å; M217-W265 HydrophobicContact SD-CG 4.3Å; M217-W265 HydrophobicContact SD-CZ2 4.15Å
218L98.4Very high96.4Very high0 Ų027.7 Ų27.70%018%0.176CC..EExtended strand (participates in β ladder)trans-125.1130.1174.8-46.4170.2000108.3Y208 A232 F234 P235 P241 L259 Y304 I306Y208-L218 HydrophobicContact CD1-CB 4.42Å; Y208-L218 HydrophobicContact CD1-CD1 3.76Å; Y208-L218 HydrophobicContact CD1-CG 3.97Å; Y208-L218 HydrophobicContact CE1-CD1 4.44Å; Y208-L218 HydrophobicContact CG-CD1 4.38Å; Y208-L218 PolarHBondContact N-O 3.21Å; Y208-L218 PolarHBondContact O-N 3.26Å; Y208-L218 VanDerWaalsContact O-N 3.13Å; L218-A232 HydrophobicContact CB-CB 3.95Å; L218-F234 CarbonylContact C-O 3.59Å; L218-F234 VanDerWaalsContact CA-O 3.3Å; L218-F234 WeakPolarHBondContact CA-O 3.44Å; L218-P235 HydrophobicContact CD2-CB 4.04Å; L218-P241 HydrophobicContact CD2-CB 4.28Å; L218-P241 HydrophobicContact CD2-CG 4.25Å; L218-L259 HydrophobicContact CD1-CD2 4.16Å; L218-Y304 HydrophobicContact CD1-CD1 4.29Å; L218-Y304 HydrophobicContact CD1-CG 4.11Å; L218-Y304 HydrophobicContact CD2-CG 4.44Å; L218-I306 HydrophobicContact CD1-CD1 3.99Å
219S97.9Very high96.3Very high4 Ų428.6 Ų28.63%0.02818%0.184CC..EExtended strand (participates in β ladder)trans-160155.7175.4-172.30000109.5V87 A232 F234V87-S219 VanDerWaalsContact CG1-OG 3.26Å; V87-S219 WeakPolarHBondContact CG1-OG 3.29Å; S219-A232 CarbonylContact C-O 3.55Å; S219-A232 WeakPolarHBondContact CA-O 3.36Å; S219-A232 PolarHBondContact N-O 2.79Å; S219-F234 PolarHBondContact N-O 3.05Å; S219-F234 PolarHBondContact O-N 2.58Å
220T97.5Very high95.7Very high5 Ų528.2 Ų28.23%0.03119%0.187CC..  trans-72.3153.9155.352.60000109.8I204 V205 P226 M227 A232I204-T220 PolarHBondContact O-OG1 3.43Å; V205-T220 WeakPolarHBondContact CG1-O 3.38Å; T220-P226 WeakPolarHBondContact CG2-O 3.14Å; T220-M227 HydrophobicContact CG2-CG 4.49Å; T220-A232 PolarHBondContact N-O 3.01Å
221L97.8Very high95.8Very high30 Ų3027.3 Ų27.316%0.15718%0.183CC..  trans-106.5123.3168.2-60.9-177.3000109.2V87 G223 C224 S225 F236 F237V87-L221 HydrophobicContact CB-CD2 4.46Å; V87-L221 HydrophobicContact CG2-CD2 3.87Å; L221-G223 PolarHBondContact O-N 2.92Å; L221-C224 HydrophobicContact CB-CB 4.21Å; L221-C224 PolarHBondContact O-N 3.01Å; L221-C224 VanDerWaalsContact O-N 3.12Å; L221-S225 PolarHBondContact N-OG 3.1Å; L221-S225 VanDerWaalsContact N-OG 3.16Å; L221-S225 PolarHBondContact O-N 3.04Å; L221-F236 HydrophobicContact CD2-CD2 4.05Å; L221-F236 HydrophobicContact CD2-CE2 3.88Å; L221-F237 HydrophobicContact CD1-CE1 4.24Å; L221-F237 HydrophobicContact CD1-CZ 3.83Å
222P96.2Very high95.8Very high15 Ų1526.1 Ų26.110%0.09718%0.176CC..THydrogen-bonded Turntrans-52.9137176.4-24.733.9000111.2V87 D89 V177 V205 C224V87-P222 WeakPolarHBondContact O-CD 3.44Å; V87-P222 VanDerWaalsContact O-CG 3.29Å; V87-P222 WeakPolarHBondContact O-CG 3.46Å; D89-P222 HydrophobicContact CB-CB 4.24Å; D89-P222 HydrophobicContact CB-CG 4.37Å; V177-P222 HydrophobicContact CG1-CG 3.91Å; V177-P222 HydrophobicContact CG2-CB 4.06Å; V177-P222 HydrophobicContact CG2-CG 3.79Å; V205-P222 HydrophobicContact CG1-CG 3.77Å; P222-C224 PolarHBondContact O-N 3.37Å
223G91.5Very high95.8Very high84 Ų8425.2 Ų25.287%0.86617%0.172SC*.THydrogen-bonded Turntrans76.5-10.1-179.600000116L221L221-G223 PolarHBondContact O-N 2.92Å
224C91.4Very high95.8Very high105 Ų10527.8 Ų27.871%0.70918%0.183SC*.THydrogen-bonded Turntrans-120.4-37.4-179.1-60.50000113.8L221 P222L221-C224 HydrophobicContact CB-CB 4.21Å; L221-C224 PolarHBondContact O-N 3.01Å; L221-C224 VanDerWaalsContact O-N 3.12Å; P222-C224 PolarHBondContact O-N 3.37Å
225S93Very high95.8Very high30 Ų3030.2 Ų30.221%0.2120%0.199CC..SBendtrans-106.4135.5-172.3-56.40000112L221L221-S225 PolarHBondContact N-OG 3.1Å; L221-S225 VanDerWaalsContact N-OG 3.16Å; L221-S225 PolarHBondContact O-N 3.04Å
226P95.1Very high95.8Very high84 Ų8430.6 Ų30.655%0.54520%0.201SC..  trans-62.7156164.821.5-24.7000111.1T220 F234 F303T220-P226 WeakPolarHBondContact CG2-O 3.14Å; P226-F234 HydrophobicContact CG-CE2 4.48Å; P226-F303 HydrophobicContact CB-CZ 4.03Å; P226-F303 HydrophobicContact CG-CE2 4.21Å; P226-F303 HydrophobicContact CG-CZ 3.78Å; P226-F303 VanDerWaalsContact O-CE1 3.27Å; P226-F303 WeakPolarHBondContact O-CE1 3.3Å; P226-F303 VanDerWaalsContact O-CZ 3.31Å; P226-F303 WeakPolarHBondContact O-CZ 3.31Å
227M95.8Very high95.8Very high63 Ų6335.9 Ų35.931%0.3122%0.224SC..  trans-112.7137.2179.1-59.2-179.6-67.400110.6W190 Y194 I204 T220W190-M227 HydrophobicContact CH2-CB 4.45Å; W190-M227 HydrophobicContact CH2-CE 4.25Å; W190-M227 HydrophobicContact CH2-SD 4.48Å; W190-M227 HydrophobicContact CZ2-CB 3.99Å; W190-M227 HydrophobicContact CZ2-CE 4.32Å; W190-M227 HydrophobicContact CZ2-SD 3.96Å; Y194-M227 HydrophobicContact CE2-CE 4.25Å; I204-M227 HydrophobicContact CB-SD 4.19Å; I204-M227 PolarHBondContact N-SD 2.63Å; I204-M227 VanDerWaalsContact O-SD 3.39Å; T220-M227 HydrophobicContact CG2-CG 4.49Å
228K96.8Very high95.7Very high51 Ų5138.4 Ų38.422%0.22225%0.25CS..  trans-118.3126.4166-67.2-173.1-174.9-179.60108.7G230 S231 D299 D301 F303 W305K228-G230 PolarHBondContact O-N 3.45Å; K228-G230 VanDerWaalsContact O-N 3.1Å; K228-S231 PolarHBondContact O-N 2.8Å; K228-D299 IonicContact NZ-OD1 3.71Å; K228-D299 IonicContact NZ-OD2 2.79Å; K228-D299 PolarHBondContact NZ-OD2 3.38Å; K228-D301 WeakPolarHBondContact CE-OD2 3.38Å; K228-D301 IonicContact NZ-OD2 3.01Å; K228-D301 PolarHBondContact NZ-OD2 3.11Å; K228-F303 HydrophobicContact CB-CD1 4.17Å; K228-F303 HydrophobicContact CB-CE1 4.14Å; K228-F303 HydrophobicContact CD-CB 4.35Å; K228-F303 HydrophobicContact CD-CD1 4.07Å; K228-F303 HydrophobicContact CD-CD2 3.85Å; K228-F303 HydrophobicContact CD-CE1 4.27Å; K228-F303 HydrophobicContact CD-CE2 4.04Å; K228-F303 HydrophobicContact CD-CG 3.84Å; K228-F303 HydrophobicContact CD-CZ 4.23Å; K228-F303 VanDerWaalsContact CE-CD2 3.49Å; K228-F303 HydrophobicContact CG-CD1 4.02Å; K228-F303 HydrophobicContact CG-CD2 4.39Å; K228-F303 HydrophobicContact CG-CE1 3.81Å; K228-F303 HydrophobicContact CG-CE2 4.18Å; K228-F303 HydrophobicContact CG-CG 4.29Å; K228-F303 HydrophobicContact CG-CZ 3.87Å; K228-W305 HydrophobicContact CB-CH2 3.8Å; K228-W305 HydrophobicContact CB-CZ2 3.84Å; K228-W305 HydrophobicContact CD-CH2 4.4Å; K228-W305 HydrophobicContact CD-CZ2 3.69Å; K228-W305 HydrophobicContact CG-CZ2 4.43Å
229P95.1Very high95.6Very high40 Ų4038.9 Ų38.926%0.2625%0.253SS..THydrogen-bonded Turntrans-55.9115.9-178.2-26.533.9000112.6P187 W190 L191 W305P187-P229 HydrophobicContact CB-CB 4.05Å; W190-P229 HydrophobicContact CB-CB 4.15Å; W190-P229 HydrophobicContact CD2-CB 3.69Å; W190-P229 HydrophobicContact CD2-CG 4.05Å; W190-P229 HydrophobicContact CE3-CB 3.59Å; W190-P229 HydrophobicContact CE3-CG 3.56Å; W190-P229 HydrophobicContact CG-CB 3.93Å; W190-P229 HydrophobicContact CH2-CG 4.37Å; W190-P229 HydrophobicContact CZ3-CB 4.3Å; W190-P229 HydrophobicContact CZ3-CG 3.76Å; L191-P229 HydrophobicContact CD2-CG 4.31Å; P229-W305 WeakPolarHBondContact O-CZ3 3.24Å
230G86Confident95.6Very high14 Ų1441.6 Ų41.614%0.14427%0.269CS..THydrogen-bonded Turntrans89.63.5179.800000116.2I185 K228I185-G230 WeakPolarHBondContact O-CA 3.29Å; K228-G230 PolarHBondContact O-N 3.45Å; K228-G230 VanDerWaalsContact O-N 3.1Å
231S95.2Very high95.6Very high4 Ų442 Ų423%0.02827%0.272CS..  trans-95.4138.7171171.90000110.7K228 G233 F303 Y304K228-S231 PolarHBondContact O-N 2.8Å; S231-G233 PolarHBondContact O-N 3.39Å; S231-G233 PolarHBondContact OG-N 2.95Å; S231-G233 VanDerWaalsContact OG-N 3.08Å; S231-F303 WeakPolarHBondContact OG-CB 3.01Å; S231-F303 VanDerWaalsContact OG-CD1 3.31Å; S231-F303 WeakPolarHBondContact OG-CD1 3.34Å; S231-Y304 PolarHBondContact OG-O 3.3Å
232A96.1Very high95.6Very high1 Ų140.9 Ų40.91%0.00827%0.266CS..  trans-71.1-19.7172.300000112.2D206 L218 S219 T220 Y304 I306D206-A232 WeakPolarHBondContact O-CA 3.49Å; L218-A232 HydrophobicContact CB-CB 3.95Å; S219-A232 CarbonylContact C-O 3.55Å; S219-A232 WeakPolarHBondContact CA-O 3.36Å; S219-A232 PolarHBondContact N-O 2.79Å; T220-A232 PolarHBondContact N-O 3.01Å; A232-Y304 PolarHBondContact N-O 3.26Å; A232-I306 HydrophobicContact CB-CG1 4.35Å
233G97Very high95.6Very high0 Ų040.2 Ų40.20%026%0.262CS..BIsolated β-bridgetrans97.5-121.6173.600000111.5S231 Y304S231-G233 PolarHBondContact O-N 3.39Å; S231-G233 PolarHBondContact OG-N 2.95Å; S231-G233 VanDerWaalsContact OG-N 3.08Å; G233-Y304 PolarHBondContact O-N 3.22Å
234F98Very high95.8Very high54 Ų5436.3 Ų36.324%0.23722%0.221CC..EExtended strand (participates in β ladder)trans-120.1160.1-168.7-57.3-73.6000111.1L218 S219 P226 F303L218-F234 CarbonylContact C-O 3.59Å; L218-F234 VanDerWaalsContact CA-O 3.3Å; L218-F234 WeakPolarHBondContact CA-O 3.44Å; S219-F234 PolarHBondContact N-O 3.05Å; S219-F234 PolarHBondContact O-N 2.58Å; P226-F234 HydrophobicContact CG-CE2 4.48Å; F234-F303 HydrophobicContact CE1-CD2 4.1Å; F234-F303 HydrophobicContact CE1-CE2 4.25Å; F234-F303 HydrophobicContact CE1-CG 4.42Å; F234-F303 HydrophobicContact CE2-CD1 4.48Å; F234-F303 HydrophobicContact CE2-CE1 4.01Å; F234-F303 HydrophobicContact CE2-CE2 4.2Å; F234-F303 AromaticContact CE2-CZ 3.88Å; F234-F303 HydrophobicContact CE2-CZ 3.88Å; F234-F303 HydrophobicContact CZ-CD1 4.3Å; F234-F303 AromaticContact CZ-CD2 3.78Å; F234-F303 HydrophobicContact CZ-CD2 3.78Å; F234-F303 HydrophobicContact CZ-CE1 4.04Å; F234-F303 AromaticContact CZ-CE2 3.48Å; F234-F303 HydrophobicContact CZ-CE2 3.48Å; F234-F303 VanDerWaalsContact CZ-CE2 3.48Å; F234-F303 HydrophobicContact CZ-CG 4.2Å; F234-F303 AromaticContact CZ-CZ 3.64Å; F234-F303 HydrophobicContact CZ-CZ 3.64Å
235P98.1Very high95.7Very high51 Ų5133.2 Ų33.233%0.33120%0.198SC..EExtended strand (participates in β ladder)trans-62.8137.8173.624.8-33.5000112.5L218 V239 P241L218-P235 HydrophobicContact CD2-CB 4.04Å; P235-V239 HydrophobicContact CB-CB 4.2Å; P235-V239 HydrophobicContact CB-CG1 4.34Å; P235-V239 WeakPolarHBondContact CB-O 3.4Å; P235-P241 HydrophobicContact CB-CG 3.83Å; P235-P241 HydrophobicContact CG-CG 4Å
236F98.4Very high95.3Very high8 Ų838.6 Ų38.64%0.03522%0.224CC..PPolyproline II helixtrans-73169.4172-165-106000111.4Y79 T82 T83 Y86 V87 M217 L221 G238 V239Y79-F236 HydrophobicContact CE2-CD1 4.28Å; T82-F236 HydrophobicContact CG2-CE1 3.95Å; T82-F236 HydrophobicContact CG2-CZ 4.06Å; T83-F236 HydrophobicContact CG2-CD1 3.48Å; T83-F236 VanDerWaalsContact CG2-CD1 3.48Å; T83-F236 HydrophobicContact CG2-CE1 3.32Å; T83-F236 HydrophobicContact CG2-CG 4.24Å; T83-F236 HydrophobicContact CG2-CZ 3.97Å; Y86-F236 HydrophobicContact CD2-CZ 4.12Å; V87-F236 HydrophobicContact CG2-CD2 3.73Å; V87-F236 HydrophobicContact CG2-CE2 3.58Å; V87-F236 HydrophobicContact CG2-CZ 4.43Å; M217-F236 PolarHBondContact O-N 2.77Å; L221-F236 HydrophobicContact CD2-CD2 4.05Å; L221-F236 HydrophobicContact CD2-CE2 3.88Å; F236-G238 PolarHBondContact O-N 3.18Å; F236-V239 HydrophobicContact CB-CG2 4.37Å; F236-V239 WeakPolarHBondContact O-CB 3.3Å; F236-V239 PolarHBondContact O-N 3.5Å
237F97.8Very high95Very high110 Ų11041.2 Ų41.248%0.48223%0.234SC..THydrogen-bonded Turntrans-58.1134.1-178.2-51.8-38.6000112.2Y86 L221 V239Y86-F237 AromaticContact CD2-CD2 3.99Å; Y86-F237 HydrophobicContact CD2-CD2 3.99Å; Y86-F237 AromaticContact CD2-CE2 3.62Å; Y86-F237 HydrophobicContact CD2-CE2 3.62Å; Y86-F237 HydrophobicContact CE2-CD2 4.33Å; Y86-F237 HydrophobicContact CE2-CE2 4.02Å; Y86-F237 AromaticContact CG-CE2 3.94Å; Y86-F237 HydrophobicContact CG-CE2 3.94Å; L221-F237 HydrophobicContact CD1-CE1 4.24Å; L221-F237 HydrophobicContact CD1-CZ 3.83Å; F237-V239 PolarHBondContact O-N 2.68Å
238G95.9Very high94.6Very high54 Ų5439.6 Ų39.656%0.55723%0.233SC*.THydrogen-bonded Turntrans79.4-5.3-17700000114.9F236F236-G238 PolarHBondContact O-N 3.18Å
239V98.1Very high94.4Very high10 Ų1043.2 Ų43.26%0.06125%0.251CS..  trans-95.4126.1-179.5-174.80000110.2Y79 M217 P235 F236 F237 P241 F261Y79-V239 WeakPolarHBondContact OH-CG2 3.31Å; M217-V239 HydrophobicContact CB-CG1 4.48Å; M217-V239 HydrophobicContact CE-CB 4.29Å; M217-V239 HydrophobicContact CE-CG1 3.61Å; M217-V239 HydrophobicContact CE-CG2 3.69Å; M217-V239 HydrophobicContact SD-CG2 3.92Å; P235-V239 HydrophobicContact CB-CB 4.2Å; P235-V239 HydrophobicContact CB-CG1 4.34Å; P235-V239 WeakPolarHBondContact CB-O 3.4Å; F236-V239 HydrophobicContact CB-CG2 4.37Å; F236-V239 WeakPolarHBondContact O-CB 3.3Å; F236-V239 PolarHBondContact O-N 3.5Å; F237-V239 PolarHBondContact O-N 2.68Å; V239-P241 WeakPolarHBondContact O-CD 3.46Å; V239-F261 HydrophobicContact CG1-CD1 3.39Å; V239-F261 HydrophobicContact CG1-CE1 3.33Å; V239-F261 HydrophobicContact CG1-CG 4.34Å; V239-F261 HydrophobicContact CG1-CZ 4.24Å
240V97.6Very high94.4Very high60 Ų6045.4 Ų45.436%0.36426%0.257SS..  trans-119.189.3175.2-1760000108.5F261 K262 F263V240-F261 WeakPolarHBondContact O-CA 3.31Å; V240-K262 HydrophobicContact CB-CB 4.27Å; V240-K262 HydrophobicContact CG1-CB 4.08Å; V240-K262 HydrophobicContact CG1-CD 4.46Å; V240-K262 PolarHBondContact O-N 2.94Å; V240-F263 HydrophobicContact CB-CD2 4.13Å; V240-F263 HydrophobicContact CG2-CD2 3.9Å; V240-F263 HydrophobicContact CG2-CE2 4.48Å
241P97.8Very high94.8Very high13 Ų1346.8 Ų46.88%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-71.7144.1-179.730.4-35.1000111.3L218 P235 V239 L259 G260 F261 Y304L218-P241 HydrophobicContact CD2-CB 4.28Å; L218-P241 HydrophobicContact CD2-CG 4.25Å; P235-P241 HydrophobicContact CB-CG 3.83Å; P235-P241 HydrophobicContact CG-CG 4Å; V239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-L259 HydrophobicContact CB-CD1 4.13Å; P241-G260 CarbonylContact C-O 3.57Å; P241-G260 WeakPolarHBondContact CA-O 3.44Å; P241-F261 HydrophobicContact CB-CD1 4.12Å; P241-F261 HydrophobicContact CB-CE1 3.99Å; P241-Y304 HydrophobicContact CB-CE1 3.82Å; P241-Y304 HydrophobicContact CG-CE1 3.85Å; P241-Y304 HydrophobicContact CG-CE2 4.08Å; P241-Y304 VanDerWaalsContact CG-CZ 3.49Å; P241-Y304 WeakPolarHBondContact CG-OH 3.34Å
242V97.3Very high94.7Very high7 Ų751 Ų514%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-125.8148.3170.1-64.30000109.1L244 E250 G260 K262 Y289V242-L244 HydrophobicContact CB-CD2 4.37Å; V242-L244 HydrophobicContact CG2-CD2 4.03Å; V242-L244 HydrophobicContact CG2-CG 4.23Å; V242-E250 HydrophobicContact CB-CG 4.36Å; V242-E250 HydrophobicContact CG1-CG 4.22Å; V242-G260 PolarHBondContact N-O 3.23Å; V242-G260 PolarHBondContact O-N 2.91Å; V242-K262 HydrophobicContact CG1-CB 4.19Å; V242-Y289 HydrophobicContact CG1-CD1 4.38Å; V242-Y289 HydrophobicContact CG1-CE1 4.11Å; V242-Y289 HydrophobicContact CG2-CD1 3.65Å; V242-Y289 HydrophobicContact CG2-CE1 4.04Å; V242-Y289 HydrophobicContact CG2-CG 4.24Å
243I96.2Very high94.6Very high2 Ų253.2 Ų53.21%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-109.8122.9168.4-62.8-179.6000106E250 I251 G255 G257 R258 R298 Y304I243-E250 WeakPolarHBondContact O-CA 3.37Å; I243-I251 HydrophobicContact CB-CB 4.39Å; I243-I251 HydrophobicContact CG2-CB 4.29Å; I243-I251 HydrophobicContact CG2-CD1 3.88Å; I243-I251 HydrophobicContact CG2-CG1 4.31Å; I243-I251 PolarHBondContact O-N 3.29Å; I243-G255 WeakPolarHBondContact CD1-O 3.22Å; I243-G257 VanDerWaalsContact CG2-CA 3.5Å; I243-G257 VanDerWaalsContact CG2-N 3.27Å; I243-R258 CarbonylContact C-O 3.33Å; I243-R258 WeakPolarHBondContact CA-O 3.26Å; I243-R298 HydrophobicContact CD1-CB 3.45Å; I243-R298 VanDerWaalsContact CD1-CB 3.45Å; I243-Y304 HydrophobicContact CD1-CE1 4.4Å; I243-Y304 HydrophobicContact CG1-CE1 4.47Å
244L94.4Very high94.5Very high1 Ų156 Ų561%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-105.4136.6-179.6-53176.2000110V242 E249 E250 G257 R258 Y289V242-L244 HydrophobicContact CB-CD2 4.37Å; V242-L244 HydrophobicContact CG2-CD2 4.03Å; V242-L244 HydrophobicContact CG2-CG 4.23Å; L244-E249 WeakPolarHBondContact CA-O 3.37Å; L244-E250 HydrophobicContact CD2-CG 4.06Å; L244-G257 WeakPolarHBondContact O-CA 3Å; L244-R258 HydrophobicContact CB-CB 4.32Å; L244-R258 PolarHBondContact N-O 3.12Å; L244-R258 PolarHBondContact O-N 3.44Å; L244-Y289 HydrophobicContact CD1-CD2 3.9Å; L244-Y289 HydrophobicContact CD1-CE2 4.46Å; L244-Y289 HydrophobicContact CD1-CG 4.26Å; L244-Y289 HydrophobicContact CD2-CD2 4.18Å; L244-Y289 HydrophobicContact CD2-CE2 3.97Å
245N89.7Confident94.2Very high41 Ų4154.3 Ų54.322%0.21934%0.336CS..  trans-74.3-177.9168.768.69.3000111.1D247 G248 E249 I251N245-D247 PolarHBondContact O-N 3Å; N245-D247 WeakPolarHBondContact OD1-CA 3.47Å; N245-D247 PolarHBondContact OD1-N 3.45Å; N245-G248 PolarHBondContact O-N 3.46Å; N245-G248 VanDerWaalsContact O-N 3.08Å; N245-G248 PolarHBondContact OD1-N 2.8Å; N245-E249 PolarHBondContact N-O 3.44Å; N245-E249 PolarHBondContact ND2-OE2 3.22Å; N245-E249 PolarHBondContact OD1-N 3.41Å; N245-E249 PolarHBondContact OD1-O 3.27Å; N245-I251 HydrophobicContact CB-CD1 4.06Å; N245-I251 HydrophobicContact CB-CG1 4.12Å
246D85.4Confident93.8Very high143 Ų14356.6 Ų56.677%0.76534%0.343SS*.THydrogen-bonded Turntrans-63.9-24.4179.4-69.5-23.8000113.3G248D246-G248 VanDerWaalsContact C-N 3.32Å
247D87.7Confident93.5Very high139 Ų13957 Ų5774%0.74335%0.349SS*.THydrogen-bonded Turntrans-84.3-3.9176.8-61.4-53.9000113N245 E249N245-D247 PolarHBondContact O-N 3Å; N245-D247 WeakPolarHBondContact OD1-CA 3.47Å; N245-D247 PolarHBondContact OD1-N 3.45Å; D247-E249 HydrophobicContact CB-CG 4.26Å
248G88Confident93.2Very high29 Ų2954.6 Ų54.630%0.29934%0.337SS..SBendtrans81.513.2-178.300000114.6N245 D246N245-G248 PolarHBondContact O-N 3.46Å; N245-G248 VanDerWaalsContact O-N 3.08Å; N245-G248 PolarHBondContact OD1-N 2.8Å; D246-G248 VanDerWaalsContact C-N 3.32Å
249E92.2Very high93.3Very high126 Ų12652.1 Ų52.159%0.58931%0.311SS*.  trans-89.2143.7178.4-53.2-178.214200111.6L244 N245 D247 I251L244-E249 WeakPolarHBondContact CA-O 3.37Å; N245-E249 PolarHBondContact N-O 3.44Å; N245-E249 PolarHBondContact ND2-OE2 3.22Å; N245-E249 PolarHBondContact OD1-N 3.41Å; N245-E249 PolarHBondContact OD1-O 3.27Å; D247-E249 HydrophobicContact CB-CG 4.26Å; E249-I251 PolarHBondContact O-N 2.86Å
250E95.7Very high93.2Very high86 Ų8651.6 Ų51.640%0.40231%0.308SS..BIsolated β-bridgetrans-67.1126.7177.9-65.7-174.1-166.800111.3V242 I243 L244 K262 Y289V242-E250 HydrophobicContact CB-CG 4.36Å; V242-E250 HydrophobicContact CG1-CG 4.22Å; I243-E250 WeakPolarHBondContact O-CA 3.37Å; L244-E250 HydrophobicContact CD2-CG 4.06Å; E250-K262 IonicContact OE1-NZ 3.32Å; E250-K262 PolarHBondContact OE1-NZ 3.13Å; E250-K262 IonicContact OE2-NZ 3.85Å; E250-Y289 HydrophobicContact CG-CE1 4.28Å; E250-Y289 WeakPolarHBondContact CG-OH 3.36Å; E250-Y289 WeakPolarHBondContact OE1-CE1 3.48Å; E250-Y289 PolarHBondContact OE1-OH 3.41Å
251I94.3Very high93.2Very high44 Ų4448.8 Ų48.823%0.22629%0.291CS..  trans-82.5116170.4-54.6-177.1000109.2I243 N245 E249 E256 R298I243-I251 HydrophobicContact CB-CB 4.39Å; I243-I251 HydrophobicContact CG2-CB 4.29Å; I243-I251 HydrophobicContact CG2-CD1 3.88Å; I243-I251 HydrophobicContact CG2-CG1 4.31Å; I243-I251 PolarHBondContact O-N 3.29Å; N245-I251 HydrophobicContact CB-CD1 4.06Å; N245-I251 HydrophobicContact CB-CG1 4.12Å; E249-I251 PolarHBondContact O-N 2.86Å; I251-E256 WeakPolarHBondContact CD1-O 3.37Å; I251-R298 PolarHBondContact O-NH2 3.24Å
252A94.2Very high93.1Very high92 Ų9252 Ų5276%0.7630%0.303SS*.  trans-82.8144.8175.300000111.6
253G93.9Very high93.1Very high48 Ų4857.3 Ų57.350%0.49533%0.326SS..SBendtrans69.6-150.7178.900000113.3R298G253-R298 VanDerWaalsContact N-NH2 3.2Å; G253-R298 PolarHBondContact O-NE 3.38Å; G253-R298 PolarHBondContact O-NH2 3.18Å
254S94.2Very high93.1Very high58 Ų5862 Ų6241%0.40636%0.357SS..SBendtrans-68.6146.7174.347.90000111.5R298 D300S254-R298 CarbonylContact C-O 3.3Å; S254-R298 WeakPolarHBondContact CA-O 3.29Å; S254-R298 WeakPolarHBondContact CB-O 3.16Å; S254-D300 WeakPolarHBondContact CB-OD1 3.5Å; S254-D300 PolarHBondContact OG-OD1 3.24Å
255G91Very high93.3Very high18 Ų1862.3 Ų62.319%0.18636%0.358CS..EExtended strand (participates in β ladder)trans163.6167.7-17900000113.3I243 L297 R298I243-G255 WeakPolarHBondContact CD1-O 3.22Å; G255-L297 WeakPolarHBondContact O-CA 3.12Å; G255-R298 PolarHBondContact N-O 3.11Å; G255-R298 PolarHBondContact O-N 3.31Å
256E91.1Very high93.7Very high100 Ų10062.8 Ų62.847%0.46736%0.363SS..EExtended strand (participates in β ladder)trans-125.1141.5-176-175.6177.1-178.400110.3I251 C296 L297I251-E256 WeakPolarHBondContact CD1-O 3.37Å; E256-C296 WeakPolarHBondContact CA-O 3.42Å; E256-L297 HydrophobicContact CB-CB 4.36Å; E256-L297 HydrophobicContact CB-CD1 3.95Å; E256-L297 HydrophobicContact CG-CB 4.32Å
257G90.5Very high94.4Very high17 Ų1756 Ų5618%0.17533%0.327CS..EExtended strand (participates in β ladder)trans174.1-157.8178.900000112.5I243 L244 G295 C296I243-G257 VanDerWaalsContact CG2-CA 3.5Å; I243-G257 VanDerWaalsContact CG2-N 3.27Å; L244-G257 WeakPolarHBondContact O-CA 3Å; G257-G295 WeakPolarHBondContact O-CA 3.47Å; G257-C296 PolarHBondContact N-O 2.96Å; G257-C296 PolarHBondContact O-N 3.35Å
258R92.8Very high94.9Very high58 Ų5850 Ų5022%0.21930%0.295CS..EExtended strand (participates in β ladder)trans-77.1128.3-179.7-54.7173.234.2161.70.3110.2I243 L244 D285 S286 L310I243-R258 CarbonylContact C-O 3.33Å; I243-R258 WeakPolarHBondContact CA-O 3.26Å; L244-R258 HydrophobicContact CB-CB 4.32Å; L244-R258 PolarHBondContact N-O 3.12Å; L244-R258 PolarHBondContact O-N 3.44Å; R258-D285 IonicContact CZ-OD2 3.92Å; R258-D285 IonicContact NH1-OD2 3.49Å; R258-D285 IonicContact NH2-OD1 3.23Å; R258-D285 PolarHBondContact NH2-OD1 3.02Å; R258-D285 IonicContact NH2-OD2 3.38Å; R258-D285 PolarHBondContact NH2-OD2 2.77Å; R258-S286 PolarHBondContact NH2-OG 2.99Å; R258-L310 HydrophobicContact CB-CD1 3.96Å; R258-L310 HydrophobicContact CG-CD1 3.59Å; R258-L310 HydrophobicContact CG-CD2 4.17Å
259L96.3Very high95.4Very high2 Ų248.7 Ų48.71%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-78.1132.8174.8-17762.5000111.1Y208 L218 P241 T292 D294 C296 I306Y208-L259 HydrophobicContact CD1-CD2 4.11Å; Y208-L259 HydrophobicContact CE1-CD2 3.34Å; L218-L259 HydrophobicContact CD1-CD2 4.16Å; P241-L259 HydrophobicContact CB-CD1 4.13Å; L259-T292 HydrophobicContact CB-CG2 4.44Å; L259-T292 HydrophobicContact CD2-CG2 4.2Å; L259-T292 HydrophobicContact CG-CG2 4.03Å; L259-T292 PolarHBondContact O-N 3.31Å; L259-T292 PolarHBondContact O-OG1 2.73Å; L259-T292 VanDerWaalsContact O-OG1 3.09Å; L259-D294 WeakPolarHBondContact CB-O 3.17Å; L259-D294 PolarHBondContact N-O 2.81Å; L259-C296 HydrophobicContact CB-CB 3.85Å; L259-C296 HydrophobicContact CD1-CB 4.26Å; L259-C296 HydrophobicContact CD2-CB 4.34Å; L259-C296 HydrophobicContact CG-CB 4.38Å; L259-I306 HydrophobicContact CD2-CD1 3.73Å
260G97.3Very high95.6Very high0 Ų046 Ų460%027%0.265CS..EExtended strand (participates in β ladder)trans-143.8178.1170.200000112.5P241 V242 Y290P241-G260 CarbonylContact C-O 3.57Å; P241-G260 WeakPolarHBondContact CA-O 3.44Å; V242-G260 PolarHBondContact N-O 3.23Å; V242-G260 PolarHBondContact O-N 2.91Å; G260-Y290 CarbonylContact C-O 3.57Å; G260-Y290 WeakPolarHBondContact CA-O 3.21Å
261F97.9Very high95.8Very high1 Ų143.4 Ų43.40%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-130.5134.5176.5-58.1-63.2000110.7Y208 M217 V239 V240 P241 W265 Y289 Y290 T292Y208-F261 HydrophobicContact CE1-CZ 4.35Å; M217-F261 HydrophobicContact CB-CE1 4.29Å; M217-F261 HydrophobicContact CB-CE2 4.34Å; M217-F261 HydrophobicContact CB-CZ 3.69Å; M217-F261 HydrophobicContact CE-CD1 3.97Å; M217-F261 HydrophobicContact CE-CD2 3.53Å; M217-F261 HydrophobicContact CE-CE1 3.85Å; M217-F261 HydrophobicContact CE-CE2 3.39Å; M217-F261 HydrophobicContact CE-CG 3.85Å; M217-F261 HydrophobicContact CE-CZ 3.57Å; M217-F261 HydrophobicContact CG-CE2 4.12Å; M217-F261 HydrophobicContact CG-CZ 3.97Å; V239-F261 HydrophobicContact CG1-CD1 3.39Å; V239-F261 HydrophobicContact CG1-CE1 3.33Å; V239-F261 HydrophobicContact CG1-CG 4.34Å; V239-F261 HydrophobicContact CG1-CZ 4.24Å; V240-F261 WeakPolarHBondContact O-CA 3.31Å; P241-F261 HydrophobicContact CB-CD1 4.12Å; P241-F261 HydrophobicContact CB-CE1 3.99Å; F261-W265 HydrophobicContact CB-CE3 4.36Å; F261-W265 HydrophobicContact CB-CH2 4.44Å; F261-W265 HydrophobicContact CB-CZ3 3.66Å; F261-W265 AromaticContact CD2-CH2 3.68Å; F261-W265 HydrophobicContact CD2-CH2 3.68Å; F261-W265 AromaticContact CD2-CZ3 3.71Å; F261-W265 HydrophobicContact CD2-CZ3 3.71Å; F261-W265 HydrophobicContact CE2-CH2 4.41Å; F261-W265 HydrophobicContact CG-CH2 4.38Å; F261-W265 AromaticContact CG-CZ3 3.94Å; F261-W265 HydrophobicContact CG-CZ3 3.94Å; F261-Y289 WeakPolarHBondContact O-CA 3.46Å; F261-Y290 AromaticContact CD2-CD1 3.62Å; F261-Y290 HydrophobicContact CD2-CD1 3.62Å; F261-Y290 HydrophobicContact CD2-CE1 4.08Å; F261-Y290 HydrophobicContact CE2-CD1 4.33Å; F261-Y290 HydrophobicContact CE2-CE1 4.36Å; F261-Y290 PolarHBondContact N-O 2.75Å; F261-Y290 PolarHBondContact O-N 2.52Å; F261-T292 HydrophobicContact CD2-CG2 4.12Å; F261-T292 HydrophobicContact CE2-CG2 3.53Å; F261-T292 HydrophobicContact CZ-CG2 4.16Å
262K95.8Very high95.8Very high80 Ų8041.5 Ų41.535%0.34825%0.246SC..SBendtrans-79-31.1-172.5-168.5168.2-168.6141.20114.5V240 V242 E250 Y289V240-K262 HydrophobicContact CB-CB 4.27Å; V240-K262 HydrophobicContact CG1-CB 4.08Å; V240-K262 HydrophobicContact CG1-CD 4.46Å; V240-K262 PolarHBondContact O-N 2.94Å; V242-K262 HydrophobicContact CG1-CB 4.19Å; E250-K262 IonicContact OE1-NZ 3.32Å; E250-K262 PolarHBondContact OE1-NZ 3.13Å; E250-K262 IonicContact OE2-NZ 3.85Å; K262-Y289 HydrophobicContact CB-CD1 4.41Å; K262-Y289 HydrophobicContact CB-CE1 4.49Å; K262-Y289 HydrophobicContact CG-CD1 4.49Å; K262-Y289 HydrophobicContact CG-CE1 4.21Å
263F96.3Very high95.9Very high118 Ų11843.9 Ų43.952%0.51824%0.236SC..SBendtrans-130.5151.1-175.8-61.1-59.6000110.4V240V240-F263 HydrophobicContact CB-CD2 4.13Å; V240-F263 HydrophobicContact CG2-CD2 3.9Å; V240-F263 HydrophobicContact CG2-CE2 4.48Å
264P97.4Very high96Very high102 Ų10245.5 Ų45.566%0.66225%0.253SS*.  trans-64.5151.7171.329.3-35.4000110.7M268P264-M268 HydrophobicContact CB-SD 3.89Å
265W98.4Very high95.9Very high7 Ų744.9 Ų44.93%0.02725%0.249CC..  trans-122.6161.4172.959.297000109.3Y79 T213 M217 F261 G267 M268 Y290Y79-W265 AromaticContact CE1-CD1 3.68Å; Y79-W265 HydrophobicContact CE2-CB 4.41Å; Y79-W265 AromaticContact CZ-CD1 3.85Å; T213-W265 HydrophobicContact CG2-CH2 4.46Å; T213-W265 HydrophobicContact CG2-CZ2 3.73Å; T213-W265 PolarHBondContact O-NE1 2.78Å; M217-W265 HydrophobicContact CE-CD2 3.44Å; M217-W265 VanDerWaalsContact CE-CD2 3.44Å; M217-W265 VanDerWaalsContact CE-CE2 3.43Å; M217-W265 HydrophobicContact CE-CE3 3.61Å; M217-W265 HydrophobicContact CE-CG 4.1Å; M217-W265 HydrophobicContact CE-CH2 3.82Å; M217-W265 HydrophobicContact CE-CZ2 3.64Å; M217-W265 HydrophobicContact CE-CZ3 3.8Å; M217-W265 HydrophobicContact SD-CD2 4.09Å; M217-W265 HydrophobicContact SD-CG 4.3Å; M217-W265 HydrophobicContact SD-CZ2 4.15Å; F261-W265 HydrophobicContact CB-CE3 4.36Å; F261-W265 HydrophobicContact CB-CH2 4.44Å; F261-W265 HydrophobicContact CB-CZ3 3.66Å; F261-W265 AromaticContact CD2-CH2 3.68Å; F261-W265 HydrophobicContact CD2-CH2 3.68Å; F261-W265 AromaticContact CD2-CZ3 3.71Å; F261-W265 HydrophobicContact CD2-CZ3 3.71Å; F261-W265 HydrophobicContact CE2-CH2 4.41Å; F261-W265 HydrophobicContact CG-CH2 4.38Å; F261-W265 AromaticContact CG-CZ3 3.94Å; F261-W265 HydrophobicContact CG-CZ3 3.94Å; W265-G267 VanDerWaalsContact C-N 3.35Å; W265-G267 PolarHBondContact O-N 2.96Å; W265-M268 HydrophobicContact CD2-CB 4.09Å; W265-M268 HydrophobicContact CG-CB 4.39Å; W265-M268 HydrophobicContact CH2-CE 4.26Å; W265-M268 HydrophobicContact CH2-CG 4.16Å; W265-M268 HydrophobicContact CH2-SD 4.46Å; W265-M268 HydrophobicContact CZ2-CB 4.01Å; W265-M268 HydrophobicContact CZ2-CG 3.91Å; W265-M268 HydrophobicContact CZ3-CE 4.47Å; W265-M268 HydrophobicContact CZ3-SD 4.45Å; W265-M268 VanDerWaalsContact O-CB 3.28Å; W265-M268 WeakPolarHBondContact O-CB 3.17Å; W265-M268 PolarHBondContact O-N 2.88Å; W265-Y290 AromaticContact CH2-CD1 3.74Å; W265-Y290 HydrophobicContact CH2-CD1 3.74Å; W265-Y290 HydrophobicContact CH2-CD2 4.07Å; W265-Y290 AromaticContact CH2-CE1 3.99Å; W265-Y290 HydrophobicContact CH2-CE1 3.99Å; W265-Y290 HydrophobicContact CH2-CE2 4.28Å; W265-Y290 AromaticContact CH2-CG 3.77Å; W265-Y290 HydrophobicContact CH2-CG 3.77Å; W265-Y290 HydrophobicContact CZ3-CD1 4.39Å; W265-Y290 HydrophobicContact CZ3-CG 4.27Å
266P98.2Very high96.2Very high50 Ų5049 Ų4933%0.32526%0.263SS..THydrogen-bonded Turntrans-57.1-43.1-171.9-27.935.9000114.5G75 L78 Y79 M268 R270G75-P266 CarbonylContact C-O 3.3Å; G75-P266 VanDerWaalsContact C-O 3.28Å; G75-P266 WeakPolarHBondContact CA-O 3.15Å; G75-P266 CarbonylContact O-C 3.28Å; G75-P266 WeakPolarHBondContact O-CB 3.48Å; L78-P266 HydrophobicContact CD2-CB 4.47Å; Y79-P266 HydrophobicContact CD2-CB 4.24Å; Y79-P266 HydrophobicContact CD2-CG 4.23Å; P266-M268 VanDerWaalsContact C-N 3.27Å; P266-M268 PolarHBondContact O-N 2.91Å; P266-R270 PolarHBondContact O-NH1 2.86Å; P266-R270 PolarHBondContact O-NH2 3.39Å
267G98.3Very high96.4Very high0 Ų052.3 Ų52.30%028%0.278CS..THydrogen-bonded Turntrans-79.34.5-176.800000116.1H71 G75 T213 G214 W265H71-G267 PolarHBondContact CE1-O 2.94Å; H71-G267 PolarHBondContact ND1-O 3.44Å; G75-G267 PolarHBondContact O-N 2.88Å; T213-G267 CarbonylContact C-O 3.59Å; T213-G267 CarbonylContact O-C 3.07Å; T213-G267 VanDerWaalsContact O-C 3.3Å; G214-G267 WeakPolarHBondContact CA-O 3.46Å; G214-G267 PolarHBondContact N-O 2.64Å; W265-G267 VanDerWaalsContact C-N 3.35Å; W265-G267 PolarHBondContact O-N 2.96Å
268M98.5Very high96.4Very high15 Ų1554.3 Ų54.37%0.07428%0.281CS..  trans-60.6136179.8-173.2-178.3-16400111.7P264 W265 P266 R270 F284 Y290P264-M268 HydrophobicContact CB-SD 3.89Å; W265-M268 HydrophobicContact CD2-CB 4.09Å; W265-M268 HydrophobicContact CG-CB 4.39Å; W265-M268 HydrophobicContact CH2-CE 4.26Å; W265-M268 HydrophobicContact CH2-CG 4.16Å; W265-M268 HydrophobicContact CH2-SD 4.46Å; W265-M268 HydrophobicContact CZ2-CB 4.01Å; W265-M268 HydrophobicContact CZ2-CG 3.91Å; W265-M268 HydrophobicContact CZ3-CE 4.47Å; W265-M268 HydrophobicContact CZ3-SD 4.45Å; W265-M268 VanDerWaalsContact O-CB 3.28Å; W265-M268 WeakPolarHBondContact O-CB 3.17Å; W265-M268 PolarHBondContact O-N 2.88Å; P266-M268 VanDerWaalsContact C-N 3.27Å; P266-M268 PolarHBondContact O-N 2.91Å; M268-R270 PolarHBondContact O-NH1 3.25Å; M268-F284 HydrophobicContact CE-CE1 3.76Å; M268-F284 HydrophobicContact CE-CE2 4.33Å; M268-F284 HydrophobicContact CE-CZ 3.32Å; M268-Y290 HydrophobicContact CE-CD2 3.4Å; M268-Y290 VanDerWaalsContact CE-CD2 3.4Å; M268-Y290 HydrophobicContact CE-CE2 4.13Å; M268-Y290 HydrophobicContact CE-CG 4.09Å
269A98.2Very high96.5Very high1 Ų152 Ų521%0.00827%0.272CS..  trans-57.3146.7171.200000110.6I69 V70 H71 E212 Y279I69-A269 HydrophobicContact CG2-CB 3.48Å; I69-A269 VanDerWaalsContact CG2-CB 3.48Å; V70-A269 WeakPolarHBondContact O-CA 3.41Å; H71-A269 PolarHBondContact CE1-N 3.39Å; E212-A269 HydrophobicContact CB-CB 4.36Å; E212-A269 WeakPolarHBondContact O-CB 3.26Å; E212-A269 PolarHBondContact O-N 2.86Å; A269-Y279 HydrophobicContact CB-CE2 4.39Å; A269-Y279 PolarHBondContact O-OH 3.18Å
270R98.2Very high96.4Very high68 Ų6855.1 Ų55.126%0.25729%0.291SS..  trans-93.4-32.1-177.8-62-50.8-167.1-115.81.6113.1E51 V70 T72 P266 M268 Y279E51-R270 IonicContact OE1-CZ 3.92Å; E51-R270 IonicContact OE1-NE 2.76Å; E51-R270 PolarHBondContact OE1-NE 3.38Å; E51-R270 IonicContact OE1-NH2 3.8Å; E51-R270 PolarHBondContact OE1-NH2 2.85Å; E51-R270 IonicContact OE2-CZ 2.8Å; E51-R270 IonicContact OE2-NE 3.37Å; E51-R270 PolarHBondContact OE2-NE 3.06Å; E51-R270 IonicContact OE2-NH2 2.68Å; V70-R270 PolarHBondContact O-N 3.27Å; T72-R270 HydrophobicContact CG2-CB 4.19Å; T72-R270 HydrophobicContact CG2-CG 3.48Å; T72-R270 VanDerWaalsContact CG2-CG 3.48Å; T72-R270 PolarHBondContact OG1-NE 3.39Å; P266-R270 PolarHBondContact O-NH1 2.86Å; P266-R270 PolarHBondContact O-NH2 3.39Å; M268-R270 PolarHBondContact O-NH1 3.25Å; R270-Y279 WeakPolarHBondContact O-CE1 3.19Å
271T98.1Very high96.2Very high32 Ų3258.6 Ų58.620%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-165.9174.7-179.2-166.70000112.5V70 H276V70-T271 HydrophobicContact CB-CG2 3.83Å; V70-T271 HydrophobicContact CG1-CG2 4.44Å; V70-T271 HydrophobicContact CG2-CG2 3.69Å; V70-T271 PolarHBondContact N-O 3.14Å; T271-H276 WeakPolarHBondContact OG1-CA 3.48Å; T271-H276 PolarHBondContact OG1-ND1 2.91Å
272V96.1Very high95.8Very high4 Ų461.2 Ų61.22%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-94.5126.1158.5173.70000107.9K67 G68 I69 G274 S275 Y279K67-V272 HydrophobicContact CB-CG1 4.24Å; K67-V272 HydrophobicContact CB-CG2 4.34Å; G68-V272 CarbonylContact O-C 3.51Å; G68-V272 WeakPolarHBondContact O-CA 3.46Å; I69-V272 HydrophobicContact CD1-CG2 4.09Å; V272-G274 PolarHBondContact O-N 2.92Å; V272-S275 CarbonylContact O-C 3.48Å; V272-S275 PolarHBondContact O-N 3.22Å; V272-Y279 HydrophobicContact CG2-CD2 4.27Å
273Y96.2Very high95.7Very high142 Ų14257.7 Ų57.756%0.55732%0.32SS*.THydrogen-bonded Turntrans-53.9126.4-179.3-174.2-104.8000111I56 G68 V70 S275I56-Y273 HydrophobicContact CD1-CD1 4.12Å; I56-Y273 HydrophobicContact CD1-CD2 3.33Å; I56-Y273 HydrophobicContact CD1-CE1 4.32Å; I56-Y273 HydrophobicContact CD1-CE2 3.57Å; I56-Y273 HydrophobicContact CD1-CG 3.62Å; I56-Y273 HydrophobicContact CG1-CD2 4.16Å; I56-Y273 HydrophobicContact CG1-CG 4.39Å; G68-Y273 WeakPolarHBondContact O-CB 3.47Å; G68-Y273 PolarHBondContact O-N 3.11Å; V70-Y273 HydrophobicContact CG2-CD2 4.37Å; Y273-S275 PolarHBondContact O-N 3.43Å
274G94.6Very high95.6Very high82 Ų8255.8 Ų55.885%0.84531%0.312SS*.THydrogen-bonded Turntrans69.33-177.400000115.9V272V272-G274 PolarHBondContact O-N 2.92Å
275S93.3Very high95.2Very high46 Ų4654.9 Ų54.932%0.32230%0.301SS..  trans-156.267.2-172.9-178.50000113.8V272 Y273 E277 R278 Y279V272-S275 CarbonylContact O-C 3.48Å; V272-S275 PolarHBondContact O-N 3.22Å; Y273-S275 PolarHBondContact O-N 3.43Å; S275-E277 VanDerWaalsContact C-N 3.31Å; S275-E277 PolarHBondContact O-N 3.3Å; S275-R278 WeakPolarHBondContact O-CB 3.29Å; S275-R278 PolarHBondContact O-N 3.44Å; S275-R278 WeakPolarHBondContact OG-CB 3.24Å; S275-Y279 PolarHBondContact O-N 3.21Å
276H96.5Very high94.8Very high105 Ų10555.1 Ų55.149%0.48630%0.304SS..Hα-helixtrans-60.9-34.1179.1-168.669.3000113.8T271 R278 Y279 V280T271-H276 WeakPolarHBondContact OG1-CA 3.48Å; T271-H276 PolarHBondContact OG1-ND1 2.91Å; H276-R278 VanDerWaalsContact C-N 3.27Å; H276-R278 PolarHBondContact O-N 3.17Å; H276-Y279 AromaticContact CE1-CD1 3.8Å; H276-Y279 AromaticContact ND1-CD1 3.97Å; H276-Y279 WeakPolarHBondContact O-CA 3.44Å; H276-Y279 VanDerWaalsContact O-CB 3.24Å; H276-Y279 WeakPolarHBondContact O-CB 3.32Å; H276-Y279 PolarHBondContact O-N 3.49Å; H276-V280 PolarHBondContact O-N 2.86Å
277E95Very high94.3Very high169 Ų16958.5 Ų58.579%0.7933%0.326SS*.Hα-helixtrans-58.8-39.7176.5-64.7177.6-177.100112.2S275 Y279 V280 A281S275-E277 VanDerWaalsContact C-N 3.31Å; S275-E277 PolarHBondContact O-N 3.3Å; E277-Y279 VanDerWaalsContact C-N 3.3Å; E277-Y279 PolarHBondContact O-N 3.12Å; E277-V280 PolarHBondContact O-N 3.3Å; E277-A281 WeakPolarHBondContact O-CB 3.41Å; E277-A281 PolarHBondContact O-N 3.32Å
278R91.1Very high94Very high59 Ų5961.7 Ų61.722%0.22336%0.359CS..Hα-helixtrans-65-34.9174.7-173.1177.8-175.1-165-0.6111.7T63 Q65 P66 S275 H276 T282T63-R278 PolarHBondContact OG1-NH2 2.94Å; Q65-R278 PolarHBondContact O-NH1 3.15Å; Q65-R278 PolarHBondContact O-NH2 3.47Å; P66-R278 PolarHBondContact O-NH1 3.08Å; S275-R278 WeakPolarHBondContact O-CB 3.29Å; S275-R278 PolarHBondContact O-N 3.44Å; S275-R278 WeakPolarHBondContact OG-CB 3.24Å; H276-R278 VanDerWaalsContact C-N 3.27Å; H276-R278 PolarHBondContact O-N 3.17Å; R278-T282 VanDerWaalsContact O-CB 3.24Å; R278-T282 WeakPolarHBondContact O-CB 3.45Å; R278-T282 PolarHBondContact O-N 2.89Å; R278-T282 PolarHBondContact O-OG1 2.99Å
279Y93.9Very high93.9Very high10 Ų1063.1 Ų63.14%0.03936%0.364CS..Hα-helixtrans-62.3-53.1174.5178.3-111.4000110.4A269 R270 V272 S275 H276 E277 A281 T282 Y283 F284A269-Y279 HydrophobicContact CB-CE2 4.39Å; A269-Y279 PolarHBondContact O-OH 3.18Å; R270-Y279 WeakPolarHBondContact O-CE1 3.19Å; V272-Y279 HydrophobicContact CG2-CD2 4.27Å; S275-Y279 PolarHBondContact O-N 3.21Å; H276-Y279 AromaticContact CE1-CD1 3.8Å; H276-Y279 AromaticContact ND1-CD1 3.97Å; H276-Y279 WeakPolarHBondContact O-CA 3.44Å; H276-Y279 VanDerWaalsContact O-CB 3.24Å; H276-Y279 WeakPolarHBondContact O-CB 3.32Å; H276-Y279 PolarHBondContact O-N 3.49Å; E277-Y279 VanDerWaalsContact C-N 3.3Å; E277-Y279 PolarHBondContact O-N 3.12Å; Y279-A281 PolarHBondContact O-N 2.88Å; Y279-T282 PolarHBondContact O-N 3.35Å; Y279-Y283 AromaticContact CD2-CD2 3.34Å; Y279-Y283 HydrophobicContact CD2-CD2 3.34Å; Y279-Y283 AromaticContact CD2-CE2 3.59Å; Y279-Y283 HydrophobicContact CD2-CE2 3.59Å; Y279-Y283 HydrophobicContact CD2-CG 4.47Å; Y279-Y283 AromaticContact CE2-CD2 3.51Å; Y279-Y283 HydrophobicContact CE2-CD2 3.51Å; Y279-Y283 AromaticContact CE2-CE2 3.96Å; Y279-Y283 HydrophobicContact CE2-CE2 3.96Å; Y279-Y283 HydrophobicContact CE2-CG 4.29Å; Y279-Y283 HydrophobicContact CG-CD2 4.19Å; Y279-Y283 VanDerWaalsContact O-CD2 3.24Å; Y279-Y283 WeakPolarHBondContact O-CD2 3.48Å; Y279-Y283 PolarHBondContact O-N 3.3Å; Y279-Y283 VanDerWaalsContact O-N 3.1Å; Y279-F284 HydrophobicContact CD1-CE2 4.06Å; Y279-F284 HydrophobicContact CE1-CD2 4.48Å; Y279-F284 AromaticContact CE1-CE2 3.46Å; Y279-F284 HydrophobicContact CE1-CE2 3.46Å; Y279-F284 VanDerWaalsContact CE1-CE2 3.46Å; Y279-F284 HydrophobicContact CE1-CZ 4.11Å; Y279-F284 HydrophobicContact CE2-CE2 4.48Å; Y279-F284 AromaticContact CZ-CE2 3.65Å
280V95Very high93.9Very high67 Ų6763.3 Ų63.341%0.40637%0.365SS..Hα-helixtrans-57.6-50.7178.4179.20000111.2H276 E277 T282 F284H276-V280 PolarHBondContact O-N 2.86Å; E277-V280 PolarHBondContact O-N 3.3Å; V280-T282 VanDerWaalsContact C-N 3.26Å; V280-T282 PolarHBondContact O-N 3.07Å; V280-F284 CarbonylContact O-C 3.54Å; V280-F284 WeakPolarHBondContact O-CA 3.39Å; V280-F284 WeakPolarHBondContact O-CB 3.49Å; V280-F284 PolarHBondContact O-N 3.49Å
281A92.5Very high93.7Very high72 Ų7260.5 Ų60.560%0.59536%0.355SS*.Hα-helixtrans-64.8-26.4-178.400000114.1E277 Y279E277-A281 WeakPolarHBondContact O-CB 3.41Å; E277-A281 PolarHBondContact O-N 3.32Å; Y279-A281 PolarHBondContact O-N 2.88Å
282T89.9Confident93.5Very high56 Ų5659.2 Ų59.234%0.34435%0.347SS..Hα-helixtrans-85.2-43.6-178-56.70000112.4R278 Y279 V280R278-T282 VanDerWaalsContact O-CB 3.24Å; R278-T282 WeakPolarHBondContact O-CB 3.45Å; R278-T282 PolarHBondContact O-N 2.89Å; R278-T282 PolarHBondContact O-OG1 2.99Å; Y279-T282 PolarHBondContact O-N 3.35Å; V280-T282 VanDerWaalsContact C-N 3.26Å; V280-T282 PolarHBondContact O-N 3.07Å
283Y94.4Very high93.2Very high7 Ų759.9 Ų59.93%0.02736%0.355CS..Hα-helixtrans-110.2-8.5-167.4-54.5-75.9000114.1K67 E212 Y279 Y290 T291K67-Y283 PolarHBondContact NZ-OH 3.05Å; E212-Y283 HydrophobicContact CB-CE1 4.21Å; E212-Y283 VanDerWaalsContact CD-OH 3.3Å; E212-Y283 HydrophobicContact CG-CE1 3.6Å; E212-Y283 HydrophobicContact CG-CE2 4.31Å; E212-Y283 VanDerWaalsContact CG-CZ 3.5Å; E212-Y283 WeakPolarHBondContact CG-OH 3.48Å; E212-Y283 WeakPolarHBondContact OE1-CE1 3.34Å; E212-Y283 PolarHBondContact OE1-OH 3.41Å; Y279-Y283 AromaticContact CD2-CD2 3.34Å; Y279-Y283 HydrophobicContact CD2-CD2 3.34Å; Y279-Y283 AromaticContact CD2-CE2 3.59Å; Y279-Y283 HydrophobicContact CD2-CE2 3.59Å; Y279-Y283 HydrophobicContact CD2-CG 4.47Å; Y279-Y283 AromaticContact CE2-CD2 3.51Å; Y279-Y283 HydrophobicContact CE2-CD2 3.51Å; Y279-Y283 AromaticContact CE2-CE2 3.96Å; Y279-Y283 HydrophobicContact CE2-CE2 3.96Å; Y279-Y283 HydrophobicContact CE2-CG 4.29Å; Y279-Y283 HydrophobicContact CG-CD2 4.19Å; Y279-Y283 VanDerWaalsContact O-CD2 3.24Å; Y279-Y283 WeakPolarHBondContact O-CD2 3.48Å; Y279-Y283 PolarHBondContact O-N 3.3Å; Y279-Y283 VanDerWaalsContact O-N 3.1Å; Y283-Y290 AromaticContact CD1-CE2 3.8Å; Y283-Y290 HydrophobicContact CD1-CE2 3.8Å; Y283-Y290 AromaticContact CD1-CZ 3.9Å; Y283-Y290 AromaticContact CG-CE2 3.87Å; Y283-Y290 HydrophobicContact CG-CE2 3.87Å; Y283-Y290 CarbonylContact O-C 3.58Å; Y283-Y290 VanDerWaalsContact O-CA 3.29Å; Y283-Y290 WeakPolarHBondContact O-CA 3.37Å; Y283-T291 PolarHBondContact O-N 2.8Å; Y283-T291 PolarHBondContact O-OG1 3.48Å
284F94.9Very high93Very high77 Ų7753.8 Ų53.834%0.33833%0.332SS..  trans-128.837.5179.8-54.6-91.7000110.5M268 Y279 V280 S286 Y290M268-F284 HydrophobicContact CE-CE1 3.76Å; M268-F284 HydrophobicContact CE-CE2 4.33Å; M268-F284 HydrophobicContact CE-CZ 3.32Å; Y279-F284 HydrophobicContact CD1-CE2 4.06Å; Y279-F284 HydrophobicContact CE1-CD2 4.48Å; Y279-F284 AromaticContact CE1-CE2 3.46Å; Y279-F284 HydrophobicContact CE1-CE2 3.46Å; Y279-F284 VanDerWaalsContact CE1-CE2 3.46Å; Y279-F284 HydrophobicContact CE1-CZ 4.11Å; Y279-F284 HydrophobicContact CE2-CE2 4.48Å; Y279-F284 AromaticContact CZ-CE2 3.65Å; V280-F284 CarbonylContact O-C 3.54Å; V280-F284 WeakPolarHBondContact O-CA 3.39Å; V280-F284 WeakPolarHBondContact O-CB 3.49Å; V280-F284 PolarHBondContact O-N 3.49Å; F284-S286 PolarHBondContact O-N 3.17Å; F284-Y290 HydrophobicContact CZ-CD2 4.41Å
285D88.6Confident92.7Very high83 Ų8349.9 Ų49.944%0.44429%0.292SS..SBendtrans-63.9-26.417573.7-33.2000112.4R258 T291R258-D285 IonicContact CZ-OD2 3.92Å; R258-D285 IonicContact NH1-OD2 3.49Å; R258-D285 IonicContact NH2-OD1 3.23Å; R258-D285 PolarHBondContact NH2-OD1 3.02Å; R258-D285 IonicContact NH2-OD2 3.38Å; R258-D285 PolarHBondContact NH2-OD2 2.77Å; D285-T291 WeakPolarHBondContact OD1-CB 3.36Å; D285-T291 WeakPolarHBondContact OD1-CG2 3.28Å; D285-T291 PolarHBondContact OD1-OG1 3Å
286S89.4Confident92.6Very high13 Ų1347.7 Ų47.79%0.09128%0.277CS..SBendtrans-104.9109.9178.3-55.20000109.6R258 F284 G288 Y289 T291R258-S286 PolarHBondContact NH2-OG 2.99Å; F284-S286 PolarHBondContact O-N 3.17Å; S286-G288 PolarHBondContact O-N 2.87Å; S286-Y289 PolarHBondContact O-N 3.32Å; S286-Y289 VanDerWaalsContact O-N 3.08Å; S286-T291 WeakPolarHBondContact OG-CG2 3.31Å
287P88Confident92.4Very high121 Ų12145.6 Ų45.679%0.78627%0.269SS*.THydrogen-bonded Turntrans-53126.4-174.6-28.635.3000113.1
288G92Very high92.5Very high67 Ų6739.6 Ų39.669%0.69124%0.239SC*.THydrogen-bonded Turntrans89.4-4.5178.700000115.4S286S286-G288 PolarHBondContact O-N 2.87Å
289Y96.3Very high92.7Very high44 Ų4438.1 Ų38.117%0.17324%0.235CC..SBendtrans-127.5147.3-179.8-52.1-71.5000111.8V242 L244 E250 F261 K262 S286V242-Y289 HydrophobicContact CG1-CD1 4.38Å; V242-Y289 HydrophobicContact CG1-CE1 4.11Å; V242-Y289 HydrophobicContact CG2-CD1 3.65Å; V242-Y289 HydrophobicContact CG2-CE1 4.04Å; V242-Y289 HydrophobicContact CG2-CG 4.24Å; L244-Y289 HydrophobicContact CD1-CD2 3.9Å; L244-Y289 HydrophobicContact CD1-CE2 4.46Å; L244-Y289 HydrophobicContact CD1-CG 4.26Å; L244-Y289 HydrophobicContact CD2-CD2 4.18Å; L244-Y289 HydrophobicContact CD2-CE2 3.97Å; E250-Y289 HydrophobicContact CG-CE1 4.28Å; E250-Y289 WeakPolarHBondContact CG-OH 3.36Å; E250-Y289 WeakPolarHBondContact OE1-CE1 3.48Å; E250-Y289 PolarHBondContact OE1-OH 3.41Å; F261-Y289 WeakPolarHBondContact O-CA 3.46Å; K262-Y289 HydrophobicContact CB-CD1 4.41Å; K262-Y289 HydrophobicContact CB-CE1 4.49Å; K262-Y289 HydrophobicContact CG-CD1 4.49Å; K262-Y289 HydrophobicContact CG-CE1 4.21Å; S286-Y289 PolarHBondContact O-N 3.32Å; S286-Y289 VanDerWaalsContact O-N 3.08Å
290Y97.5Very high92.8Very high6 Ų644.3 Ų44.32%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-80.7130.4156171.8-83.1000108.4Q210 E212 G260 F261 W265 M268 Y283 F284 T292Q210-Y290 PolarHBondContact OE1-OH 3.23Å; E212-Y290 VanDerWaalsContact CB-OH 3.29Å; E212-Y290 WeakPolarHBondContact CB-OH 3.35Å; G260-Y290 CarbonylContact C-O 3.57Å; G260-Y290 WeakPolarHBondContact CA-O 3.21Å; F261-Y290 AromaticContact CD2-CD1 3.62Å; F261-Y290 HydrophobicContact CD2-CD1 3.62Å; F261-Y290 HydrophobicContact CD2-CE1 4.08Å; F261-Y290 HydrophobicContact CE2-CD1 4.33Å; F261-Y290 HydrophobicContact CE2-CE1 4.36Å; F261-Y290 PolarHBondContact N-O 2.75Å; F261-Y290 PolarHBondContact O-N 2.52Å; W265-Y290 AromaticContact CH2-CD1 3.74Å; W265-Y290 HydrophobicContact CH2-CD1 3.74Å; W265-Y290 HydrophobicContact CH2-CD2 4.07Å; W265-Y290 AromaticContact CH2-CE1 3.99Å; W265-Y290 HydrophobicContact CH2-CE1 3.99Å; W265-Y290 HydrophobicContact CH2-CE2 4.28Å; W265-Y290 AromaticContact CH2-CG 3.77Å; W265-Y290 HydrophobicContact CH2-CG 3.77Å; W265-Y290 HydrophobicContact CZ3-CD1 4.39Å; W265-Y290 HydrophobicContact CZ3-CG 4.27Å; M268-Y290 HydrophobicContact CE-CD2 3.4Å; M268-Y290 VanDerWaalsContact CE-CD2 3.4Å; M268-Y290 HydrophobicContact CE-CE2 4.13Å; M268-Y290 HydrophobicContact CE-CG 4.09Å; Y283-Y290 AromaticContact CD1-CE2 3.8Å; Y283-Y290 HydrophobicContact CD1-CE2 3.8Å; Y283-Y290 AromaticContact CD1-CZ 3.9Å; Y283-Y290 AromaticContact CG-CE2 3.87Å; Y283-Y290 HydrophobicContact CG-CE2 3.87Å; Y283-Y290 CarbonylContact O-C 3.58Å; Y283-Y290 VanDerWaalsContact O-CA 3.29Å; Y283-Y290 WeakPolarHBondContact O-CA 3.37Å; F284-Y290 HydrophobicContact CZ-CD2 4.41Å; Y290-T292 HydrophobicContact CD1-CG2 4.31Å; Y290-T292 HydrophobicContact CE1-CG2 3.93Å
291T95Very high92.9Very high9 Ų946.4 Ų46.46%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-108132.6177.957.20000111.2Y283 D285 S286Y283-T291 PolarHBondContact O-N 2.8Å; Y283-T291 PolarHBondContact O-OG1 3.48Å; D285-T291 WeakPolarHBondContact OD1-CB 3.36Å; D285-T291 WeakPolarHBondContact OD1-CG2 3.28Å; D285-T291 PolarHBondContact OD1-OG1 3Å; S286-T291 WeakPolarHBondContact OG-CG2 3.31Å
292T93.7Very high93.1Very high4 Ų444.1 Ų44.13%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-84.3-26.3-175.566.80000111.9Y208 Q210 L259 F261 Y290 D294 R309Y208-T292 WeakPolarHBondContact OH-CB 3.35Å; Y208-T292 WeakPolarHBondContact OH-CG2 3.48Å; Y208-T292 PolarHBondContact OH-OG1 2.92Å; Q210-T292 PolarHBondContact NE2-O 3.26Å; L259-T292 HydrophobicContact CB-CG2 4.44Å; L259-T292 HydrophobicContact CD2-CG2 4.2Å; L259-T292 HydrophobicContact CG-CG2 4.03Å; L259-T292 PolarHBondContact O-N 3.31Å; L259-T292 PolarHBondContact O-OG1 2.73Å; L259-T292 VanDerWaalsContact O-OG1 3.09Å; F261-T292 HydrophobicContact CD2-CG2 4.12Å; F261-T292 HydrophobicContact CE2-CG2 3.53Å; F261-T292 HydrophobicContact CZ-CG2 4.16Å; Y290-T292 HydrophobicContact CD1-CG2 4.31Å; Y290-T292 HydrophobicContact CE1-CG2 3.93Å; T292-D294 VanDerWaalsContact C-N 3.28Å; T292-D294 WeakPolarHBondContact OG1-CB 3.16Å; T292-D294 PolarHBondContact OG1-N 3.46Å; T292-R309 PolarHBondContact O-NH1 3.5Å
293G89.9Confident93.4Very high19 Ų1941.8 Ų41.820%0.19625%0.247CC..EExtended strand (participates in β ladder)trans76.612.4-167.100000113.8L310G293-L310 PolarHBondContact O-N 3.18Å
294D90.7Very high93.6Very high13 Ų1342.2 Ų42.27%0.0725%0.248CC..EExtended strand (participates in β ladder)trans-106.1147.2173.1-67.1-64.8000111.1Y208 Q210 L259 T292 I306 G308 R309Y208-D294 HydrophobicContact CE2-CB 4.32Å; Y208-D294 WeakPolarHBondContact CE2-OD2 3.13Å; Y208-D294 PolarHBondContact OH-OD2 2.67Å; Q210-D294 PolarHBondContact NE2-OD2 3.29Å; L259-D294 WeakPolarHBondContact CB-O 3.17Å; L259-D294 PolarHBondContact N-O 2.81Å; T292-D294 VanDerWaalsContact C-N 3.28Å; T292-D294 WeakPolarHBondContact OG1-CB 3.16Å; T292-D294 PolarHBondContact OG1-N 3.46Å; D294-I306 HydrophobicContact CB-CG2 4.48Å; D294-G308 CarbonylContact C-O 3.58Å; D294-G308 WeakPolarHBondContact CA-O 3.07Å; D294-R309 WeakPolarHBondContact OD1-CD 3.29Å; D294-R309 IonicContact OD2-NH1 2.67Å
295G89.4Confident93.5Very high1 Ų141.7 Ų41.71%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-83.6147.9166.200000110.8G257 T307 G308G257-G295 WeakPolarHBondContact O-CA 3.47Å; G295-T307 WeakPolarHBondContact CA-OG1 3.23Å; G295-T307 PolarHBondContact O-N 3.11Å; G295-T307 PolarHBondContact O-OG1 3.4Å; G295-G308 PolarHBondContact N-O 2.72Å
296C91.6Very high93.6Very high0 Ų039.1 Ų39.10%023%0.23CC..EExtended strand (participates in β ladder)trans-147.7143.9178.2-173.20000111.4E256 G257 L259 W305 I306E256-C296 WeakPolarHBondContact CA-O 3.42Å; G257-C296 PolarHBondContact N-O 2.96Å; G257-C296 PolarHBondContact O-N 3.35Å; L259-C296 HydrophobicContact CB-CB 3.85Å; L259-C296 HydrophobicContact CD1-CB 4.26Å; L259-C296 HydrophobicContact CD2-CB 4.34Å; L259-C296 HydrophobicContact CG-CB 4.38Å; C296-W305 CarbonylContact C-O 3.48Å; C296-W305 VanDerWaalsContact CA-O 3.28Å; C296-W305 WeakPolarHBondContact CA-O 3.4Å; C296-W305 PolarHBondContact SG-O 3.01Å; C296-W305 VanDerWaalsContact SG-O 3.38Å; C296-I306 HydrophobicContact CB-CD1 4.23Å
297L92.6Very high93.2Very high61 Ų6139.7 Ų39.732%0.31923%0.233SC..EExtended strand (participates in β ladder)trans-106.5133.3166.816876.8000108.9G255 E256 Y304 W305 T307G255-L297 WeakPolarHBondContact O-CA 3.12Å; E256-L297 HydrophobicContact CB-CB 4.36Å; E256-L297 HydrophobicContact CB-CD1 3.95Å; E256-L297 HydrophobicContact CG-CB 4.32Å; L297-Y304 WeakPolarHBondContact O-CA 3.39Å; L297-W305 HydrophobicContact CB-CB 4.18Å; L297-W305 HydrophobicContact CD2-CG 4.44Å; L297-W305 PolarHBondContact N-O 2.88Å; L297-W305 PolarHBondContact O-N 2.87Å; L297-T307 HydrophobicContact CB-CG2 4.48Å
298R97Very high92.6Very high42 Ų4234.4 Ų34.416%0.15820%0.201CC..EExtended strand (participates in β ladder)trans-104.3122.1163.8179.8169.166.6-153.2-2.7108.5I243 I251 G253 S254 G255 F303 Y304I243-R298 HydrophobicContact CD1-CB 3.45Å; I243-R298 VanDerWaalsContact CD1-CB 3.45Å; I251-R298 PolarHBondContact O-NH2 3.24Å; G253-R298 VanDerWaalsContact N-NH2 3.2Å; G253-R298 PolarHBondContact O-NE 3.38Å; G253-R298 PolarHBondContact O-NH2 3.18Å; S254-R298 CarbonylContact C-O 3.3Å; S254-R298 WeakPolarHBondContact CA-O 3.29Å; S254-R298 WeakPolarHBondContact CB-O 3.16Å; G255-R298 PolarHBondContact N-O 3.11Å; G255-R298 PolarHBondContact O-N 3.31Å; R298-F303 WeakPolarHBondContact CA-O 3.16Å; R298-Y304 HydrophobicContact CB-CE1 4.33Å; R298-Y304 WeakPolarHBondContact CD-OH 3.42Å; R298-Y304 HydrophobicContact CG-CE2 4.46Å; R298-Y304 PolarHBondContact NH1-OH 3.14Å
299D95.4Very high91.8Very high28 Ų2835.7 Ų35.715%0.1519%0.185CC..  trans-83.8175.5177.273.320.7000112.7K228 D301 G302 F303 W305K228-D299 IonicContact NZ-OD1 3.71Å; K228-D299 IonicContact NZ-OD2 2.79Å; K228-D299 PolarHBondContact NZ-OD2 3.38Å; D299-D301 PolarHBondContact O-N 2.75Å; D299-D301 WeakPolarHBondContact OD1-CA 3.4Å; D299-D301 WeakPolarHBondContact OD1-CB 3.08Å; D299-D301 PolarHBondContact OD1-N 2.92Å; D299-G302 PolarHBondContact O-N 3.25Å; D299-G302 PolarHBondContact OD1-N 3.36Å; D299-G302 VanDerWaalsContact OD1-N 3.11Å; D299-F303 PolarHBondContact N-O 3.18Å; D299-F303 PolarHBondContact OD1-N 2.95Å; D299-F303 WeakPolarHBondContact OD2-CB 3.46Å; D299-W305 PolarHBondContact OD2-NE1 3.49Å
300D96.1Very high90.7Very high140 Ų14036 Ų3675%0.74919%0.189SC*.THydrogen-bonded Turntrans-64.1-22.2-177.9-66.3-31.9000113.4S254 G302S254-D300 WeakPolarHBondContact CB-OD1 3.5Å; S254-D300 PolarHBondContact OG-OD1 3.24Å; D300-G302 VanDerWaalsContact C-N 3.29Å
301D96Very high89.4Confident112 Ų11239.2 Ų39.260%0.59921%0.207SC*.THydrogen-bonded Turntrans-88.71.6175.3-62.2-47.3000112K228 D299 F303K228-D301 WeakPolarHBondContact CE-OD2 3.38Å; K228-D301 IonicContact NZ-OD2 3.01Å; K228-D301 PolarHBondContact NZ-OD2 3.11Å; D299-D301 PolarHBondContact O-N 2.75Å; D299-D301 WeakPolarHBondContact OD1-CA 3.4Å; D299-D301 WeakPolarHBondContact OD1-CB 3.08Å; D299-D301 PolarHBondContact OD1-N 2.92Å; D301-F303 HydrophobicContact CB-CD2 3.85Å; D301-F303 HydrophobicContact CB-CE2 4.23Å
302G96.2Very high88.2Confident24 Ų2439.9 Ų39.925%0.24721%0.21CC..  trans79.912179.600000114.9D299 D300 Y304D299-G302 PolarHBondContact O-N 3.25Å; D299-G302 PolarHBondContact OD1-N 3.36Å; D299-G302 VanDerWaalsContact OD1-N 3.11Å; D300-G302 VanDerWaalsContact C-N 3.29Å; G302-Y304 WeakPolarHBondContact O-CD2 3.14Å
303F97.4Very high87.1Confident7 Ų740.9 Ų40.93%0.03122%0.215CC..  trans-75.4138174.2-79.5-104000110.8P226 K228 S231 F234 R298 D299 D301P226-F303 HydrophobicContact CB-CZ 4.03Å; P226-F303 HydrophobicContact CG-CE2 4.21Å; P226-F303 HydrophobicContact CG-CZ 3.78Å; P226-F303 VanDerWaalsContact O-CE1 3.27Å; P226-F303 WeakPolarHBondContact O-CE1 3.3Å; P226-F303 VanDerWaalsContact O-CZ 3.31Å; P226-F303 WeakPolarHBondContact O-CZ 3.31Å; K228-F303 HydrophobicContact CB-CD1 4.17Å; K228-F303 HydrophobicContact CB-CE1 4.14Å; K228-F303 HydrophobicContact CD-CB 4.35Å; K228-F303 HydrophobicContact CD-CD1 4.07Å; K228-F303 HydrophobicContact CD-CD2 3.85Å; K228-F303 HydrophobicContact CD-CE1 4.27Å; K228-F303 HydrophobicContact CD-CE2 4.04Å; K228-F303 HydrophobicContact CD-CG 3.84Å; K228-F303 HydrophobicContact CD-CZ 4.23Å; K228-F303 VanDerWaalsContact CE-CD2 3.49Å; K228-F303 HydrophobicContact CG-CD1 4.02Å; K228-F303 HydrophobicContact CG-CD2 4.39Å; K228-F303 HydrophobicContact CG-CE1 3.81Å; K228-F303 HydrophobicContact CG-CE2 4.18Å; K228-F303 HydrophobicContact CG-CG 4.29Å; K228-F303 HydrophobicContact CG-CZ 3.87Å; S231-F303 WeakPolarHBondContact OG-CB 3.01Å; S231-F303 VanDerWaalsContact OG-CD1 3.31Å; S231-F303 WeakPolarHBondContact OG-CD1 3.34Å; F234-F303 HydrophobicContact CE1-CD2 4.1Å; F234-F303 HydrophobicContact CE1-CE2 4.25Å; F234-F303 HydrophobicContact CE1-CG 4.42Å; F234-F303 HydrophobicContact CE2-CD1 4.48Å; F234-F303 HydrophobicContact CE2-CE1 4.01Å; F234-F303 HydrophobicContact CE2-CE2 4.2Å; F234-F303 AromaticContact CE2-CZ 3.88Å; F234-F303 HydrophobicContact CE2-CZ 3.88Å; F234-F303 HydrophobicContact CZ-CD1 4.3Å; F234-F303 AromaticContact CZ-CD2 3.78Å; F234-F303 HydrophobicContact CZ-CD2 3.78Å; F234-F303 HydrophobicContact CZ-CE1 4.04Å; F234-F303 AromaticContact CZ-CE2 3.48Å; F234-F303 HydrophobicContact CZ-CE2 3.48Å; F234-F303 VanDerWaalsContact CZ-CE2 3.48Å; F234-F303 HydrophobicContact CZ-CG 4.2Å; F234-F303 AromaticContact CZ-CZ 3.64Å; F234-F303 HydrophobicContact CZ-CZ 3.64Å; R298-F303 WeakPolarHBondContact CA-O 3.16Å; D299-F303 PolarHBondContact N-O 3.18Å; D299-F303 PolarHBondContact OD1-N 2.95Å; D299-F303 WeakPolarHBondContact OD2-CB 3.46Å; D301-F303 HydrophobicContact CB-CD2 3.85Å; D301-F303 HydrophobicContact CB-CE2 4.23Å
304Y97.3Very high86.6Confident15 Ų1540 Ų406%0.05921%0.206CC..EExtended strand (participates in β ladder)trans-97.2125.6176.4-70.7-101000111.2L218 S231 A232 G233 P241 I243 L297 R298 G302L218-Y304 HydrophobicContact CD1-CD1 4.29Å; L218-Y304 HydrophobicContact CD1-CG 4.11Å; L218-Y304 HydrophobicContact CD2-CG 4.44Å; S231-Y304 PolarHBondContact OG-O 3.3Å; A232-Y304 PolarHBondContact N-O 3.26Å; G233-Y304 PolarHBondContact O-N 3.22Å; P241-Y304 HydrophobicContact CB-CE1 3.82Å; P241-Y304 HydrophobicContact CG-CE1 3.85Å; P241-Y304 HydrophobicContact CG-CE2 4.08Å; P241-Y304 VanDerWaalsContact CG-CZ 3.49Å; P241-Y304 WeakPolarHBondContact CG-OH 3.34Å; I243-Y304 HydrophobicContact CD1-CE1 4.4Å; I243-Y304 HydrophobicContact CG1-CE1 4.47Å; L297-Y304 WeakPolarHBondContact O-CA 3.39Å; R298-Y304 HydrophobicContact CB-CE1 4.33Å; R298-Y304 WeakPolarHBondContact CD-OH 3.42Å; R298-Y304 HydrophobicContact CG-CE2 4.46Å; R298-Y304 PolarHBondContact NH1-OH 3.14Å; G302-Y304 WeakPolarHBondContact O-CD2 3.14Å
305W94.2Very high85.7Confident67 Ų6743 Ų4325%0.25422%0.221SC..EExtended strand (participates in β ladder)trans-115.2113.6-179.7-57.381.8000109.3K228 P229 C296 L297 D299 T307K228-W305 HydrophobicContact CB-CH2 3.8Å; K228-W305 HydrophobicContact CB-CZ2 3.84Å; K228-W305 HydrophobicContact CD-CH2 4.4Å; K228-W305 HydrophobicContact CD-CZ2 3.69Å; K228-W305 HydrophobicContact CG-CZ2 4.43Å; P229-W305 WeakPolarHBondContact O-CZ3 3.24Å; C296-W305 CarbonylContact C-O 3.48Å; C296-W305 VanDerWaalsContact CA-O 3.28Å; C296-W305 WeakPolarHBondContact CA-O 3.4Å; C296-W305 PolarHBondContact SG-O 3.01Å; C296-W305 VanDerWaalsContact SG-O 3.38Å; L297-W305 HydrophobicContact CB-CB 4.18Å; L297-W305 HydrophobicContact CD2-CG 4.44Å; L297-W305 PolarHBondContact N-O 2.88Å; L297-W305 PolarHBondContact O-N 2.87Å; D299-W305 PolarHBondContact OD2-NE1 3.49Å; W305-T307 PolarHBondContact O-N 2.89Å
306I90.3Very high85.1Confident28 Ų2843 Ų4314%0.14422%0.222CC..EExtended strand (participates in β ladder)trans-80.3115.6-179.6-55.1-60.8000108.9Y208 L218 A232 L259 D294 C296 G308Y208-I306 HydrophobicContact CD1-CD1 3.98Å; Y208-I306 HydrophobicContact CD1-CG1 4.43Å; Y208-I306 HydrophobicContact CD2-CB 4.29Å; Y208-I306 HydrophobicContact CD2-CD1 3.73Å; Y208-I306 HydrophobicContact CD2-CG1 3.51Å; Y208-I306 HydrophobicContact CD2-CG2 3.98Å; Y208-I306 HydrophobicContact CE1-CD1 4.19Å; Y208-I306 HydrophobicContact CE2-CD1 3.92Å; Y208-I306 HydrophobicContact CE2-CG1 4.09Å; Y208-I306 HydrophobicContact CE2-CG2 3.95Å; Y208-I306 HydrophobicContact CG-CD1 3.73Å; Y208-I306 HydrophobicContact CG-CG1 3.69Å; L218-I306 HydrophobicContact CD1-CD1 3.99Å; A232-I306 HydrophobicContact CB-CG1 4.35Å; L259-I306 HydrophobicContact CD2-CD1 3.73Å; D294-I306 HydrophobicContact CB-CG2 4.48Å; C296-I306 HydrophobicContact CB-CD1 4.23Å; I306-G308 VanDerWaalsContact C-N 3.31Å
307T81.4Confident84.1Confident25 Ų2546 Ų4615%0.15324%0.242CC..EExtended strand (participates in β ladder)trans-86.9-5.9-17758.40000112.5G295 L297 W305 S322G295-T307 WeakPolarHBondContact CA-OG1 3.23Å; G295-T307 PolarHBondContact O-N 3.11Å; G295-T307 PolarHBondContact O-OG1 3.4Å; L297-T307 HydrophobicContact CB-CG2 4.48Å; W305-T307 PolarHBondContact O-N 2.89Å; T307-S322 WeakPolarHBondContact O-CB 3.48Å; T307-S322 PolarHBondContact O-OG 3.48Å
308G73.8Confident82.2Confident11 Ų1146 Ų4611%0.11326%0.258CS..EExtended strand (participates in β ladder)trans113.1-170.9177.500000111.9D294 G295 I306D294-G308 CarbonylContact C-O 3.58Å; D294-G308 WeakPolarHBondContact CA-O 3.07Å; G295-G308 PolarHBondContact N-O 2.72Å; I306-G308 VanDerWaalsContact C-N 3.31Å
309R76.7Confident80.7Confident93 Ų9348.8 Ų48.835%0.35127%0.272SS..EExtended strand (participates in β ladder)trans-73.6138.8-179.2-62.2-76.2-66.8166.28.2111.1T292 D294 D311 D312 M313T292-R309 PolarHBondContact O-NH1 3.5Å; D294-R309 WeakPolarHBondContact OD1-CD 3.29Å; D294-R309 IonicContact OD2-NH1 2.67Å; R309-D311 WeakPolarHBondContact CB-OD1 3.45Å; R309-D311 IonicContact NE-OD1 3.56Å; R309-D311 PolarHBondContact O-N 3.11Å; R309-D312 HydrophobicContact CB-CB 4.31Å; R309-D312 WeakPolarHBondContact O-CA 3.31Å; R309-D312 WeakPolarHBondContact O-CB 3.31Å; R309-D312 PolarHBondContact O-N 3.23Å; R309-M313 PolarHBondContact O-N 3.16Å
310L73.4Confident79.4Confident51 Ų5151.9 Ų51.927%0.26729%0.288SS..G310 helixtrans-61.6-32.4176.2-63.7172.5000111.9R258 G293 D312 M313R258-L310 HydrophobicContact CB-CD1 3.96Å; R258-L310 HydrophobicContact CG-CD1 3.59Å; R258-L310 HydrophobicContact CG-CD2 4.17Å; G293-L310 PolarHBondContact O-N 3.18Å; L310-D312 PolarHBondContact O-N 3.3Å; L310-M313 HydrophobicContact CD2-SD 3.5Å; L310-M313 WeakPolarHBondContact CD2-SD 3.22Å; L310-M313 WeakPolarHBondContact O-CB 3.22Å; L310-M313 PolarHBondContact O-N 2.71Å; L310-M313 VanDerWaalsContact O-N 3.14Å
311D70.3Confident78.4Confident74 Ų7445.8 Ų45.840%0.39626%0.256SS..G310 helixtrans-69.2-17.3174.763.2-17.1000112.4R309 R405R309-D311 WeakPolarHBondContact CB-OD1 3.45Å; R309-D311 IonicContact NE-OD1 3.56Å; R309-D311 PolarHBondContact O-N 3.11Å; D311-R405 PolarHBondContact O-NH1 2.85Å; D311-R405 PolarHBondContact O-NH2 2.75Å
312D68.7Low77.7Confident23 Ų2340.8 Ų40.812%0.12323%0.229CC..G310 helixtrans-92.5-3.2172.1-73.4-32.4000113.5R309 L310 S323 R401 R405R309-D312 HydrophobicContact CB-CB 4.31Å; R309-D312 WeakPolarHBondContact O-CA 3.31Å; R309-D312 WeakPolarHBondContact O-CB 3.31Å; R309-D312 PolarHBondContact O-N 3.23Å; L310-D312 PolarHBondContact O-N 3.3Å; D312-S323 WeakPolarHBondContact O-CB 3.47Å; D312-S323 PolarHBondContact O-OG 3.03Å; D312-R401 WeakPolarHBondContact OD1-CD 3.23Å; D312-R401 WeakPolarHBondContact OD2-CD 3.17Å; D312-R401 IonicContact OD2-NH1 2.81Å; D312-R405 IonicContact OD1-NH2 2.69Å; D312-R405 PolarHBondContact OD1-NH2 3.03Å
313M70.4Confident77.1Confident24 Ų2439.9 Ų39.912%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-75.9150.5173.7-66178.35500111.4R309 L310 L320 L321R309-M313 PolarHBondContact O-N 3.16Å; L310-M313 HydrophobicContact CD2-SD 3.5Å; L310-M313 WeakPolarHBondContact CD2-SD 3.22Å; L310-M313 WeakPolarHBondContact O-CB 3.22Å; L310-M313 PolarHBondContact O-N 2.71Å; L310-M313 VanDerWaalsContact O-N 3.14Å; M313-L320 HydrophobicContact CB-CD1 4.28Å; M313-L320 HydrophobicContact CE-CB 4.41Å; M313-L320 HydrophobicContact CE-CD1 3.9Å; M313-L320 HydrophobicContact CE-CD2 3.14Å; M313-L320 HydrophobicContact CE-CG 3.19Å; M313-L321 WeakPolarHBondContact CA-O 2.76Å
314M79.3Confident76.2Confident1 Ų140.7 Ų40.71%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-129.3140.1-178.764.6-1707900111.7V316 L321 I326 V341 A343 Q351 P353M314-V316 HydrophobicContact CG-CG2 3.9Å; M314-V316 HydrophobicContact SD-CG2 4.21Å; M314-L321 HydrophobicContact CG-CB 3.96Å; M314-L321 PolarHBondContact N-O 2.9Å; M314-L321 PolarHBondContact O-N 2.89Å; M314-I326 HydrophobicContact CE-CD1 4.34Å; M314-I326 HydrophobicContact SD-CD1 4.07Å; M314-V341 HydrophobicContact CE-CG1 3.8Å; M314-A343 HydrophobicContact CB-CB 3.65Å; M314-Q351 VanDerWaalsContact CA-OE1 3.25Å; M314-P353 HydrophobicContact SD-CB 3.68Å; M314-P353 HydrophobicContact SD-CG 3.86Å
315N72.7Confident75.4Confident75 Ų7544.4 Ų44.440%0.40125%0.245SC..EExtended strand (participates in β ladder)trans-99.1102.4175.4-172.6-29.4000109.7G318 H319 Q351N315-G318 WeakPolarHBondContact OD1-CA 3.38Å; N315-G318 PolarHBondContact OD1-N 3.1Å; N315-H319 WeakPolarHBondContact CA-O 3.35Å; N315-Q351 WeakPolarHBondContact O-CB 3.49Å; N315-Q351 PolarHBondContact O-N 3.36Å; N315-Q351 VanDerWaalsContact O-N 3.16Å
316V76.2Confident75.2Confident3 Ų341.2 Ų41.22%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-106.9106-179.8-1760000108.8M314 G318 H319 L321 P353M314-V316 HydrophobicContact CG-CG2 3.9Å; M314-V316 HydrophobicContact SD-CG2 4.21Å; V316-G318 VanDerWaalsContact C-N 3.27Å; V316-G318 PolarHBondContact O-N 3.19Å; V316-H319 PolarHBondContact N-O 3.29Å; V316-H319 WeakPolarHBondContact O-CB 3.34Å; V316-H319 PolarHBondContact O-N 3.01Å; V316-L321 HydrophobicContact CB-CD1 3.93Å; V316-L321 HydrophobicContact CG2-CD1 3.88Å; V316-P353 HydrophobicContact CG2-CG 4.21Å
317S69.9Low75.2Confident61 Ų6140.9 Ų40.943%0.42723%0.231SC..THydrogen-bonded Turntrans53.442-179.4-47.30000113.1H319 K349S317-H319 VanDerWaalsContact C-N 3.28Å; S317-H319 PolarHBondContact O-N 3.41Å; S317-H319 PolarHBondContact O-ND1 3.5Å; S317-H319 VanDerWaalsContact O-ND1 3.14Å; S317-K349 PolarHBondContact N-O 3.35Å; S317-K349 WeakPolarHBondContact OG-CB 3.47Å; S317-K349 VanDerWaalsContact OG-CG 3.32Å; S317-K349 WeakPolarHBondContact OG-CG 2.92Å
318G53.6Low75.4Confident63 Ų6341.5 Ų41.565%0.64924%0.236SC*.THydrogen-bonded Turntrans83.7-7.2-178.500000114.8N315 V316N315-G318 WeakPolarHBondContact OD1-CA 3.38Å; N315-G318 PolarHBondContact OD1-N 3.1Å; V316-G318 VanDerWaalsContact C-N 3.27Å; V316-G318 PolarHBondContact O-N 3.19Å
319H64.8Low76.1Confident99 Ų9941.1 Ų41.146%0.45823%0.232SC..EExtended strand (participates in β ladder)trans-94123177.4-59.674.7000109.2N315 V316 S317 L321 V379N315-H319 WeakPolarHBondContact CA-O 3.35Å; V316-H319 PolarHBondContact N-O 3.29Å; V316-H319 WeakPolarHBondContact O-CB 3.34Å; V316-H319 PolarHBondContact O-N 3.01Å; S317-H319 VanDerWaalsContact C-N 3.28Å; S317-H319 PolarHBondContact O-N 3.41Å; S317-H319 PolarHBondContact O-ND1 3.5Å; S317-H319 VanDerWaalsContact O-ND1 3.14Å; H319-L321 HydrophobicContact CB-CG 4.44Å; H319-L321 PolarHBondContact O-N 3.36Å; H319-V379 HydrophobicContact CB-CG2 4.36Å
320L68.4Low76.8Confident93 Ų9336.7 Ų36.749%0.48722%0.215SC..EExtended strand (participates in β ladder)trans-82.3115.7176-165.967.6000108.5M313M313-L320 HydrophobicContact CB-CD1 4.28Å; M313-L320 HydrophobicContact CE-CB 4.41Å; M313-L320 HydrophobicContact CE-CD1 3.9Å; M313-L320 HydrophobicContact CE-CD2 3.14Å; M313-L320 HydrophobicContact CE-CG 3.19Å
321L75.6Confident77.5Confident13 Ų1336.3 Ų36.37%0.06822%0.217CC..EExtended strand (participates in β ladder)trans-120.4135.6-173.8-62.8175000110.2M313 M314 V316 H319 I326 V379 A380M313-L321 WeakPolarHBondContact CA-O 2.76Å; M314-L321 HydrophobicContact CG-CB 3.96Å; M314-L321 PolarHBondContact N-O 2.9Å; M314-L321 PolarHBondContact O-N 2.89Å; V316-L321 HydrophobicContact CB-CD1 3.93Å; V316-L321 HydrophobicContact CG2-CD1 3.88Å; H319-L321 HydrophobicContact CB-CG 4.44Å; H319-L321 PolarHBondContact O-N 3.36Å; L321-I326 HydrophobicContact CB-CD1 4.32Å; L321-I326 HydrophobicContact CD1-CD1 4.42Å; L321-V379 HydrophobicContact CD1-CG2 4.38Å; L321-V379 HydrophobicContact CD2-CG2 4.41Å; L321-A380 HydrophobicContact CD1-CB 4.07Å; L321-A380 HydrophobicContact CD2-CB 4.38Å
322S80.1Confident78.4Confident7 Ų734.6 Ų34.65%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-79.2131.6172164.40000110.7T307 A324 E325 I326T307-S322 WeakPolarHBondContact O-CB 3.48Å; T307-S322 PolarHBondContact O-OG 3.48Å; S322-A324 PolarHBondContact O-N 3.46Å; S322-A324 WeakPolarHBondContact OG-CB 3.35Å; S322-A324 PolarHBondContact OG-N 3.12Å; S322-E325 PolarHBondContact O-N 2.63Å; S322-E325 PolarHBondContact OG-N 3.49Å; S322-I326 WeakPolarHBondContact O-CG1 3.33Å; S322-I326 PolarHBondContact O-N 3.01Å
323S85.5Confident79.4Confident4 Ų434.7 Ų34.73%0.02821%0.21CC..Hα-helixtrans-57.9-37.6168.664.10000111.9D312 E325 I326 E327 V341D312-S323 WeakPolarHBondContact O-CB 3.47Å; D312-S323 PolarHBondContact O-OG 3.03Å; S323-E325 VanDerWaalsContact C-N 3.35Å; S323-E325 PolarHBondContact O-N 2.92Å; S323-I326 PolarHBondContact O-N 2.9Å; S323-E327 WeakPolarHBondContact O-CB 3.44Å; S323-E327 WeakPolarHBondContact O-CG 3.39Å; S323-E327 PolarHBondContact O-N 3.47Å; S323-V341 VanDerWaalsContact CB-O 3.25Å; S323-V341 WeakPolarHBondContact CB-O 3.36Å
324A78.6Confident80.2Confident24 Ų2439.2 Ų39.220%0.19824%0.242CC..Hα-helixtrans-67.2-35.9-178.300000112S322 S328S322-A324 PolarHBondContact O-N 3.46Å; S322-A324 WeakPolarHBondContact OG-CB 3.35Å; S322-A324 PolarHBondContact OG-N 3.12Å; A324-S328 VanDerWaalsContact O-CB 3.24Å; A324-S328 WeakPolarHBondContact O-CB 3.46Å; A324-S328 PolarHBondContact O-N 3.38Å
325E80.4Confident80.7Confident93 Ų9343 Ų4344%0.43527%0.268SS..Hα-helixtrans-63.5-47.6174.9-164.9-169-179.600110.7S322 S323 S328 A329 I376S322-E325 PolarHBondContact O-N 2.63Å; S322-E325 PolarHBondContact OG-N 3.49Å; S323-E325 VanDerWaalsContact C-N 3.35Å; S323-E325 PolarHBondContact O-N 2.92Å; E325-S328 WeakPolarHBondContact O-CB 3.36Å; E325-S328 PolarHBondContact O-N 2.77Å; E325-A329 PolarHBondContact O-N 3.11Å; E325-I376 HydrophobicContact CB-CD1 4.32Å; E325-I376 HydrophobicContact CG-CD1 3.73Å; E325-I376 HydrophobicContact CG-CG1 4.09Å; E325-I376 WeakPolarHBondContact O-CD1 3.49Å
326I88.4Confident81.4Confident0 Ų040.2 Ų40.20%025%0.254CS..Hα-helixtrans-64.2-46.3177.8-55.4174.9000110.5M314 L321 S322 S323 S328 A329 V330 V341 P353 V372 I376 A380 P382M314-I326 HydrophobicContact CE-CD1 4.34Å; M314-I326 HydrophobicContact SD-CD1 4.07Å; L321-I326 HydrophobicContact CB-CD1 4.32Å; L321-I326 HydrophobicContact CD1-CD1 4.42Å; S322-I326 WeakPolarHBondContact O-CG1 3.33Å; S322-I326 PolarHBondContact O-N 3.01Å; S323-I326 PolarHBondContact O-N 2.9Å; I326-S328 VanDerWaalsContact C-N 3.27Å; I326-S328 PolarHBondContact O-N 2.96Å; I326-A329 PolarHBondContact O-N 3.21Å; I326-A329 VanDerWaalsContact O-N 3.16Å; I326-V330 HydrophobicContact CG2-CG2 4.3Å; I326-V330 VanDerWaalsContact O-CG2 3.27Å; I326-V330 WeakPolarHBondContact O-CG2 3.4Å; I326-V330 PolarHBondContact O-N 2.86Å; I326-V341 HydrophobicContact CB-CG1 4.3Å; I326-V341 HydrophobicContact CB-CG2 4.25Å; I326-V341 HydrophobicContact CD1-CG1 4.29Å; I326-V341 HydrophobicContact CG2-CB 4.47Å; I326-V341 HydrophobicContact CG2-CG1 4.13Å; I326-V341 HydrophobicContact CG2-CG2 3.86Å; I326-P353 HydrophobicContact CD1-CB 3.8Å; I326-P353 HydrophobicContact CD1-CG 3.84Å; I326-V372 HydrophobicContact CG2-CG1 4.43Å; I326-I376 HydrophobicContact CB-CD1 4.48Å; I326-I376 HydrophobicContact CG1-CD1 4.15Å; I326-A380 HydrophobicContact CD1-CB 4.4Å; I326-A380 HydrophobicContact CG1-CB 4.21Å; I326-P382 HydrophobicContact CG2-CG 3.9Å
327E90.5Very high81.9Confident21 Ų2142.7 Ų42.710%0.09828%0.275CS..Hα-helixtrans-57.9-39.3176.1-74.7169.6-172.200112S323 V330 S331 A340 V341 R401S323-E327 WeakPolarHBondContact O-CB 3.44Å; S323-E327 WeakPolarHBondContact O-CG 3.39Å; S323-E327 PolarHBondContact O-N 3.47Å; E327-V330 PolarHBondContact O-N 2.89Å; E327-S331 WeakPolarHBondContact O-CB 3.28Å; E327-S331 PolarHBondContact O-N 2.95Å; E327-S331 PolarHBondContact O-OG 2.97Å; E327-A340 WeakPolarHBondContact OE1-CA 3.42Å; E327-V341 HydrophobicContact CG-CB 3.84Å; E327-V341 HydrophobicContact CG-CG2 3.65Å; E327-V341 PolarHBondContact OE1-N 3.11Å; E327-R401 IonicContact OE1-CZ 3.63Å; E327-R401 IonicContact OE1-NE 3.71Å; E327-R401 PolarHBondContact OE1-NE 3.29Å; E327-R401 VanDerWaalsContact OE1-NE 3.13Å; E327-R401 IonicContact OE1-NH2 3.54Å; E327-R401 PolarHBondContact OE1-NH2 3.31Å; E327-R401 IonicContact OE2-CZ 3.6Å; E327-R401 IonicContact OE2-NH2 3.13Å; E327-R401 PolarHBondContact OE2-NH2 3.12Å
328S85.4Confident82.7Confident38 Ų3840.7 Ų40.727%0.26626%0.259SS..Hα-helixtrans-66-43.2175.7-178.20000111.7A324 E325 I326 S332A324-S328 VanDerWaalsContact O-CB 3.24Å; A324-S328 WeakPolarHBondContact O-CB 3.46Å; A324-S328 PolarHBondContact O-N 3.38Å; E325-S328 WeakPolarHBondContact O-CB 3.36Å; E325-S328 PolarHBondContact O-N 2.77Å; I326-S328 VanDerWaalsContact C-N 3.27Å; I326-S328 PolarHBondContact O-N 2.96Å; S328-S332 WeakPolarHBondContact O-CB 3.45Å; S328-S332 PolarHBondContact O-N 2.91Å
329A89Confident84.5Confident3 Ų337.9 Ų37.93%0.02523%0.229CC..Hα-helixtrans-63.5-44.2175.200000111.8E325 I326 S332 V372 K375 I376E325-A329 PolarHBondContact O-N 3.11Å; I326-A329 PolarHBondContact O-N 3.21Å; I326-A329 VanDerWaalsContact O-N 3.16Å; A329-S332 PolarHBondContact O-N 2.75Å; A329-S332 PolarHBondContact O-OG 3.16Å; A329-V372 HydrophobicContact CB-CB 4.48Å; A329-V372 HydrophobicContact CB-CG2 3.99Å; A329-K375 HydrophobicContact CB-CB 4.2Å; A329-K375 HydrophobicContact CB-CD 4.15Å; A329-I376 HydrophobicContact CB-CD1 3.72Å; A329-I376 HydrophobicContact CB-CG1 4.12Å
330V92.1Very high85.8Confident0 Ų033.2 Ų33.20%021%0.208CC..Hα-helixtrans-63.8-52.1177.3173.30000111.3I326 E327 S332 H333 V336 A339 I368 V372I326-V330 HydrophobicContact CG2-CG2 4.3Å; I326-V330 VanDerWaalsContact O-CG2 3.27Å; I326-V330 WeakPolarHBondContact O-CG2 3.4Å; I326-V330 PolarHBondContact O-N 2.86Å; E327-V330 PolarHBondContact O-N 2.89Å; V330-S332 PolarHBondContact O-N 3.5Å; V330-S332 VanDerWaalsContact O-N 3.14Å; V330-H333 WeakPolarHBondContact O-CB 3.38Å; V330-H333 PolarHBondContact O-N 3.33Å; V330-V336 HydrophobicContact CG1-CG1 4.11Å; V330-V336 HydrophobicContact CG1-CG2 4.45Å; V330-A339 HydrophobicContact CB-CB 4.16Å; V330-A339 HydrophobicContact CG1-CB 3.52Å; V330-I368 HydrophobicContact CB-CG2 4.14Å; V330-I368 HydrophobicContact CG1-CD1 4.44Å; V330-I368 HydrophobicContact CG1-CG2 3.84Å; V330-I368 HydrophobicContact CG2-CG2 3.72Å; V330-V372 HydrophobicContact CG2-CG2 3.59Å
331S88.4Confident86.9Confident43 Ų4328.8 Ų28.830%0.30118%0.184SC..Hα-helixtrans-70.1-9.9-177.9-54.20000113.4E327 H333E327-S331 WeakPolarHBondContact O-CB 3.28Å; E327-S331 PolarHBondContact O-N 2.95Å; E327-S331 PolarHBondContact O-OG 2.97Å; S331-H333 PolarHBondContact O-N 2.88Å
332S88.1Confident87.7Confident39 Ų3928.3 Ų28.327%0.27318%0.182SC..THydrogen-bonded Turntrans-74.5-9.1170.777.50000113.2S328 A329 V330 K371 K375S328-S332 WeakPolarHBondContact O-CB 3.45Å; S328-S332 PolarHBondContact O-N 2.91Å; A329-S332 PolarHBondContact O-N 2.75Å; A329-S332 PolarHBondContact O-OG 3.16Å; V330-S332 PolarHBondContact O-N 3.5Å; V330-S332 VanDerWaalsContact O-N 3.14Å; S332-K371 PolarHBondContact O-NZ 2.91Å; S332-K371 WeakPolarHBondContact OG-CE 3.49Å; S332-K375 PolarHBondContact OG-NZ 3.47Å
333H90Very high88.1Confident24 Ų2428.2 Ų28.211%0.11118%0.182CC..SBendtrans-74.1127.5170.3-164.1-83.8000110.5V330 S331 S335 V336 L364 E367 I368 K371V330-H333 WeakPolarHBondContact O-CB 3.38Å; V330-H333 PolarHBondContact O-N 3.33Å; S331-H333 PolarHBondContact O-N 2.88Å; H333-S335 PolarHBondContact CE1-OG 3.2Å; H333-S335 PolarHBondContact ND1-N 2.98Å; H333-S335 PolarHBondContact O-N 3.16Å; H333-S335 VanDerWaalsContact O-N 3.1Å; H333-V336 HydrophobicContact CB-CB 4.32Å; H333-V336 HydrophobicContact CB-CG2 3.88Å; H333-V336 PolarHBondContact O-N 3.14Å; H333-L364 WeakPolarHBondContact ND1-CD1 3.44Å; H333-E367 IonicContact CE1-OE2 2.77Å; H333-E367 PolarHBondContact CE1-OE2 3.11Å; H333-E367 IonicContact NE2-OE2 2.62Å; H333-E367 PolarHBondContact NE2-OE2 2.86Å; H333-I368 HydrophobicContact CB-CG1 4.33Å; H333-K371 HydrophobicContact CB-CD 4.2Å
334P87.7Confident88.2Confident120 Ų12028 Ų2878%0.77918%0.181SC*.THydrogen-bonded Turntrans-57.3-30.5-175.1-26.434.7000114.6V336P334-V336 VanDerWaalsContact C-N 3.31Å
335S89.6Confident88.2Confident81 Ų8130.3 Ų30.357%0.56619%0.193SC*.THydrogen-bonded Turntrans-81.7-3.3178.2-41.70000114.3H333H333-S335 PolarHBondContact CE1-OG 3.2Å; H333-S335 PolarHBondContact ND1-N 2.98Å; H333-S335 PolarHBondContact O-N 3.16Å; H333-S335 VanDerWaalsContact O-N 3.1Å
336V87.9Confident88.1Confident15 Ų1528.4 Ų28.49%0.09118%0.184CC..  trans-101.8111.3179.4177.60000109.3V330 H333 P334 A339 L364 I368V330-V336 HydrophobicContact CG1-CG1 4.11Å; V330-V336 HydrophobicContact CG1-CG2 4.45Å; H333-V336 HydrophobicContact CB-CB 4.32Å; H333-V336 HydrophobicContact CB-CG2 3.88Å; H333-V336 PolarHBondContact O-N 3.14Å; P334-V336 VanDerWaalsContact C-N 3.31Å; V336-A339 HydrophobicContact CG1-CB 4.24Å; V336-L364 HydrophobicContact CG2-CD1 4.44Å; V336-I368 HydrophobicContact CG2-CD1 3.52Å; V336-I368 HydrophobicContact CG2-CG1 4.01Å
337A84.9Confident86.9Confident56 Ų5633.5 Ų33.546%0.46323%0.227SC..SBendtrans-78.3-34.4179.600000112.6K161K161-A337 HydrophobicContact CD-CB 4.46Å; K161-A337 WeakPolarHBondContact CE-O 3.46Å; K161-A337 PolarHBondContact NZ-O 3.26Å
338E87.9Confident85.4Confident19 Ų1938.5 Ų38.59%0.08926%0.258CS..  trans-163.5148.5178.9-164.2173.1-138.900109.1L391 K393 I399E338-L391 HydrophobicContact CB-CD1 4.31Å; E338-L391 HydrophobicContact CG-CD1 3.72Å; E338-K393 VanDerWaalsContact CD-CE 3.44Å; E338-K393 WeakPolarHBondContact OE1-CE 3.38Å; E338-K393 IonicContact OE1-NZ 2.98Å; E338-K393 PolarHBondContact OE1-NZ 2.84Å; E338-K393 WeakPolarHBondContact OE2-CE 3.42Å; E338-K393 IonicContact OE2-NZ 3.48Å; E338-K393 PolarHBondContact OE2-NZ 3.2Å; E338-I399 HydrophobicContact CG-CD1 4.34Å
339A91.5Very high84.6Confident4 Ų440.3 Ų40.33%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-141.5147.8171.800000109.5V330 V336 F356V330-A339 HydrophobicContact CB-CB 4.16Å; V330-A339 HydrophobicContact CG1-CB 3.52Å; V336-A339 HydrophobicContact CG1-CB 4.24Å; A339-F356 VanDerWaalsContact CA-O 3.31Å; A339-F356 WeakPolarHBondContact CA-O 3.34Å
340A92.3Very high83.6Confident0 Ų042.6 Ų42.60%029%0.285CS..EExtended strand (participates in β ladder)trans-125.4131.7168.700000108.9E327 F356 L391 I399 L404E327-A340 WeakPolarHBondContact OE1-CA 3.42Å; A340-F356 PolarHBondContact N-O 2.97Å; A340-F356 PolarHBondContact O-N 2.87Å; A340-L391 HydrophobicContact CB-CD1 3.9Å; A340-L391 HydrophobicContact CB-CD2 4.15Å; A340-I399 HydrophobicContact CB-CD1 4.28Å; A340-I399 HydrophobicContact CB-CG2 4.02Å; A340-L404 HydrophobicContact CB-CD1 3.34Å
341V92Very high83.2Confident0 Ų045.7 Ų45.70%030%0.299CS..EExtended strand (participates in β ladder)trans-116.8133.8179.1-177.10000108.2M314 S323 I326 E327 P353 Y354 C355M314-V341 HydrophobicContact CE-CG1 3.8Å; S323-V341 VanDerWaalsContact CB-O 3.25Å; S323-V341 WeakPolarHBondContact CB-O 3.36Å; I326-V341 HydrophobicContact CB-CG1 4.3Å; I326-V341 HydrophobicContact CB-CG2 4.25Å; I326-V341 HydrophobicContact CD1-CG1 4.29Å; I326-V341 HydrophobicContact CG2-CB 4.47Å; I326-V341 HydrophobicContact CG2-CG1 4.13Å; I326-V341 HydrophobicContact CG2-CG2 3.86Å; E327-V341 HydrophobicContact CG-CB 3.84Å; E327-V341 HydrophobicContact CG-CG2 3.65Å; E327-V341 PolarHBondContact OE1-N 3.11Å; V341-P353 HydrophobicContact CG1-CB 3.78Å; V341-Y354 WeakPolarHBondContact CA-O 3.06Å; V341-C355 HydrophobicContact CG2-CB 4.15Å
342V91.6Very high83.2Confident3 Ų343.6 Ų43.62%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-130159.2173.3-590000109.6Y354 F356 R401 L404 R405 A408V342-Y354 PolarHBondContact N-O 3.37Å; V342-Y354 PolarHBondContact O-N 3.12Å; V342-F356 HydrophobicContact CG2-CD2 4.49Å; V342-F356 HydrophobicContact CG2-CE2 3.73Å; V342-R401 HydrophobicContact CG1-CB 4.36Å; V342-R401 HydrophobicContact CG1-CG 4.48Å; V342-L404 HydrophobicContact CG1-CB 3.78Å; V342-R405 HydrophobicContact CB-CB 4.4Å; V342-R405 HydrophobicContact CG1-CB 4.48Å; V342-A408 HydrophobicContact CG2-CB 3.71Å
343A88.3Confident83.4Confident6 Ų641.8 Ų41.85%0.0527%0.272CS..EExtended strand (participates in β ladder)trans-68.3133.8166.900000109.7M314 Q351M314-A343 HydrophobicContact CB-CB 3.65Å; A343-Q351 HydrophobicContact CB-CB 4.24Å; A343-Q351 HydrophobicContact CB-CG 4.27Å
344A88.3Confident83.7Confident0 Ų040.6 Ų40.60%027%0.267CS..EExtended strand (participates in β ladder)trans-116.1145.2161.700000109.6Q351 I352 Y354 A408 F437A344-Q351 CarbonylContact O-C 3.21Å; A344-Q351 WeakPolarHBondContact O-CA 3.39Å; A344-I352 HydrophobicContact CB-CG1 4.05Å; A344-I352 PolarHBondContact N-O 2.87Å; A344-I352 PolarHBondContact O-N 2.92Å; A344-Y354 HydrophobicContact CB-CD2 3.77Å; A344-Y354 HydrophobicContact CB-CG 4.3Å; A344-A408 HydrophobicContact CB-CB 4.02Å; A344-F437 HydrophobicContact CB-CE2 4.42Å; A344-F437 HydrophobicContact CB-CZ 4.4Å
345P78.8Confident84Confident71 Ų7134.9 Ų34.946%0.46123%0.23SC..EExtended strand (participates in β ladder)trans-64.7139.6178.125.9-34.9000111.2D409P345-D409 WeakPolarHBondContact CD-OD1 3.39Å
346H76.8Confident84.3Confident53 Ų5331 Ų3125%0.24520%0.203CC..EExtended strand (participates in β ladder)trans-139.4124.3175.9-172.4-94.6000110.9V348 K349 G350 I352H346-V348 PolarHBondContact ND1-N 2.81Å; H346-V348 PolarHBondContact O-N 3.44Å; H346-K349 HydrophobicContact CB-CB 4.26Å; H346-K349 WeakPolarHBondContact ND1-CB 3.43Å; H346-K349 WeakPolarHBondContact ND1-CG 3.38Å; H346-K349 PolarHBondContact ND1-N 3.34Å; H346-K349 VanDerWaalsContact ND1-N 3.16Å; H346-K349 PolarHBondContact O-N 3.18Å; H346-G350 PolarHBondContact N-O 2.97Å; H346-G350 CarbonylContact O-C 3.49Å; H346-G350 WeakPolarHBondContact O-CA 3.33Å; H346-G350 PolarHBondContact O-N 2.82Å; H346-I352 HydrophobicContact CB-CB 4.32Å; H346-I352 HydrophobicContact CB-CD1 4.37Å; H346-I352 HydrophobicContact CB-CG1 4.07Å; H346-I352 HydrophobicContact CB-CG2 3.52Å
347A64.3Low84.5Confident108 Ų10830.3 Ų30.389%0.89320%0.198SC*.THydrogen-bonded Turntrans-55.7-27.6-170.800000115
348V59.4Low84.5Confident125 Ų12530.4 Ų30.476%0.75819%0.189SC*.THydrogen-bonded Turntrans-105-33.3-177.8-177.60000112.7H346H346-V348 PolarHBondContact ND1-N 2.81Å; H346-V348 PolarHBondContact O-N 3.44Å
349K67.1Low84.3Confident77 Ų7734.4 Ų34.434%0.33521%0.211SC..THydrogen-bonded Turntrans-99.9-2.3-169.3-64.5-177.4176.1176.60112.4S317 H346 Q351 I352 E383S317-K349 PolarHBondContact N-O 3.35Å; S317-K349 WeakPolarHBondContact OG-CB 3.47Å; S317-K349 VanDerWaalsContact OG-CG 3.32Å; S317-K349 WeakPolarHBondContact OG-CG 2.92Å; H346-K349 HydrophobicContact CB-CB 4.26Å; H346-K349 WeakPolarHBondContact ND1-CB 3.43Å; H346-K349 WeakPolarHBondContact ND1-CG 3.38Å; H346-K349 PolarHBondContact ND1-N 3.34Å; H346-K349 VanDerWaalsContact ND1-N 3.16Å; H346-K349 PolarHBondContact O-N 3.18Å; K349-Q351 WeakPolarHBondContact CB-O 3.34Å; K349-Q351 PolarHBondContact O-N 2.79Å; K349-I352 HydrophobicContact CB-CG2 4.19Å; K349-I352 HydrophobicContact CD-CG2 3.85Å; K349-E383 VanDerWaalsContact CD-OE1 3.3Å; K349-E383 WeakPolarHBondContact CD-OE1 3.29Å; K349-E383 WeakPolarHBondContact CE-OE1 3.06Å; K349-E383 IonicContact NZ-OE1 2.59Å; K349-E383 PolarHBondContact NZ-OE1 2.69Å
350G69.2Low84.1Confident50 Ų5035.5 Ų35.552%0.51521%0.214SC..EExtended strand (participates in β ladder)trans77.9-72.9-166.700000109.5H346H346-G350 PolarHBondContact N-O 2.97Å; H346-G350 CarbonylContact O-C 3.49Å; H346-G350 WeakPolarHBondContact O-CA 3.33Å; H346-G350 PolarHBondContact O-N 2.82Å
351Q83.9Confident84.1Confident65 Ų6538.7 Ų38.730%0.30423%0.234SC..EExtended strand (participates in β ladder)trans-129.4164.2174.7-60.1172.4-37.300111.1M314 N315 A343 A344 K349M314-Q351 VanDerWaalsContact CA-OE1 3.25Å; N315-Q351 WeakPolarHBondContact O-CB 3.49Å; N315-Q351 PolarHBondContact O-N 3.36Å; N315-Q351 VanDerWaalsContact O-N 3.16Å; A343-Q351 HydrophobicContact CB-CB 4.24Å; A343-Q351 HydrophobicContact CB-CG 4.27Å; A344-Q351 CarbonylContact O-C 3.21Å; A344-Q351 WeakPolarHBondContact O-CA 3.39Å; K349-Q351 WeakPolarHBondContact CB-O 3.34Å; K349-Q351 PolarHBondContact O-N 2.79Å
352I88.5Confident84Confident0 Ų043.4 Ų43.40%027%0.265CS..EExtended strand (participates in β ladder)trans-134.4151.5171.754.4172.6000109.4A344 H346 K349 Y354 E383 F437A344-I352 HydrophobicContact CB-CG1 4.05Å; A344-I352 PolarHBondContact N-O 2.87Å; A344-I352 PolarHBondContact O-N 2.92Å; H346-I352 HydrophobicContact CB-CB 4.32Å; H346-I352 HydrophobicContact CB-CD1 4.37Å; H346-I352 HydrophobicContact CB-CG1 4.07Å; H346-I352 HydrophobicContact CB-CG2 3.52Å; K349-I352 HydrophobicContact CB-CG2 4.19Å; K349-I352 HydrophobicContact CD-CG2 3.85Å; I352-Y354 PolarHBondContact O-N 3.27Å; I352-E383 HydrophobicContact CB-CB 4.39Å; I352-E383 HydrophobicContact CB-CG 4.25Å; I352-E383 HydrophobicContact CD1-CB 3.93Å; I352-E383 VanDerWaalsContact CG2-CD 3.49Å; I352-E383 HydrophobicContact CG2-CG 4.21Å; I352-E383 WeakPolarHBondContact CG2-OE1 3.39Å; I352-F437 HydrophobicContact CD1-CE1 3.6Å; I352-F437 HydrophobicContact CD1-CZ 3.65Å
353P92.4Very high84.1Confident0 Ų049.5 Ų49.50%029%0.293CS..EExtended strand (participates in β ladder)trans-72.5127.3172.2-6.822.8000110.2M314 V316 I326 V341 P382 E383M314-P353 HydrophobicContact SD-CB 3.68Å; M314-P353 HydrophobicContact SD-CG 3.86Å; V316-P353 HydrophobicContact CG2-CG 4.21Å; I326-P353 HydrophobicContact CD1-CB 3.8Å; I326-P353 HydrophobicContact CD1-CG 3.84Å; V341-P353 HydrophobicContact CG1-CB 3.78Å; P353-P382 HydrophobicContact CB-CB 4.18Å; P353-P382 HydrophobicContact CB-CG 4.25Å; P353-P382 VanDerWaalsContact O-CA 3.27Å; P353-P382 WeakPolarHBondContact O-CA 3.36Å; P353-P382 WeakPolarHBondContact O-CB 3.4Å; P353-E383 PolarHBondContact O-N 3.03Å
354Y94.7Very high84.4Confident0 Ų049.8 Ų49.80%029%0.293CS..EExtended strand (participates in β ladder)trans-113.5114.6176.1-164.2-61.6000108.6V341 V342 A344 I352 F356 V384 Q386 A408 H435 F437V341-Y354 WeakPolarHBondContact CA-O 3.06Å; V342-Y354 PolarHBondContact N-O 3.37Å; V342-Y354 PolarHBondContact O-N 3.12Å; A344-Y354 HydrophobicContact CB-CD2 3.77Å; A344-Y354 HydrophobicContact CB-CG 4.3Å; I352-Y354 PolarHBondContact O-N 3.27Å; Y354-F356 AromaticContact CD1-CD2 3.99Å; Y354-F356 HydrophobicContact CD1-CD2 3.99Å; Y354-F356 HydrophobicContact CD1-CE1 4.22Å; Y354-F356 AromaticContact CD1-CE2 3.45Å; Y354-F356 HydrophobicContact CD1-CE2 3.45Å; Y354-F356 VanDerWaalsContact CD1-CE2 3.45Å; Y354-F356 AromaticContact CD1-CZ 3.59Å; Y354-F356 HydrophobicContact CD1-CZ 3.59Å; Y354-F356 HydrophobicContact CE1-CD1 4.28Å; Y354-F356 HydrophobicContact CE1-CD2 4.39Å; Y354-F356 AromaticContact CE1-CE1 3.7Å; Y354-F356 HydrophobicContact CE1-CE1 3.7Å; Y354-F356 AromaticContact CE1-CE2 3.81Å; Y354-F356 HydrophobicContact CE1-CE2 3.81Å; Y354-F356 AromaticContact CE1-CZ 3.43Å; Y354-F356 HydrophobicContact CE1-CZ 3.43Å; Y354-F356 VanDerWaalsContact CE1-CZ 3.43Å; Y354-F356 HydrophobicContact CG-CE2 4.38Å; Y354-V384 HydrophobicContact CD1-CB 4.26Å; Y354-V384 HydrophobicContact CD1-CG1 4.22Å; Y354-V384 HydrophobicContact CD2-CB 3.67Å; Y354-V384 HydrophobicContact CD2-CG1 3.97Å; Y354-V384 HydrophobicContact CD2-CG2 3.94Å; Y354-V384 HydrophobicContact CE1-CB 4.3Å; Y354-V384 HydrophobicContact CE1-CG1 3.77Å; Y354-V384 HydrophobicContact CE2-CB 3.7Å; Y354-V384 HydrophobicContact CE2-CG1 3.48Å; Y354-V384 VanDerWaalsContact CE2-CG1 3.48Å; Y354-V384 HydrophobicContact CE2-CG2 3.93Å; Y354-V384 HydrophobicContact CG-CB 3.96Å; Y354-V384 HydrophobicContact CG-CG1 4.32Å; Y354-Q386 HydrophobicContact CE1-CB 3.57Å; Y354-Q386 PolarHBondContact OH-OE1 2.8Å; Y354-A408 HydrophobicContact CD1-CB 4.44Å; Y354-A408 HydrophobicContact CD2-CB 3.92Å; Y354-A408 HydrophobicContact CE2-CB 4.36Å; Y354-A408 HydrophobicContact CG-CB 3.98Å; Y354-H435 WeakPolarHBondContact OH-CB 3.33Å; Y354-H435 PolarHBondContact OH-N 3.18Å; Y354-F437 HydrophobicContact CD2-CE2 4.33Å; Y354-F437 HydrophobicContact CD2-CZ 4.03Å; Y354-F437 HydrophobicContact CE2-CE2 4.14Å; Y354-F437 HydrophobicContact CE2-CZ 4.06Å
355C95.4Very high84.7Confident0 Ų050.6 Ų50.60%030%0.299CS..EExtended strand (participates in β ladder)trans-103.2126.5-172.4-1690000111.4V341 Y360 P382 V384 F385 Q386V341-C355 HydrophobicContact CG2-CB 4.15Å; C355-Y360 PolarHBondContact SG-OH 3.4Å; C355-P382 HydrophobicContact CB-CB 3.71Å; C355-P382 HydrophobicContact CB-CG 3.86Å; C355-V384 PolarHBondContact N-O 2.74Å; C355-F385 HydrophobicContact CB-CD1 3.84Å; C355-F385 HydrophobicContact CB-CE1 3.91Å; C355-F385 HydrophobicContact CB-CG 4.46Å; C355-F385 CarbonylContact O-C 3.49Å; C355-F385 WeakPolarHBondContact O-CA 3Å; C355-Q386 PolarHBondContact O-N 3.34Å
356F94.9Very high85.5Confident0 Ų051.8 Ų51.80%030%0.298CS..EExtended strand (participates in β ladder)trans-106.4140.5171.7-61.6-94.1000109.7A339 A340 V342 Y354 Y360 Q386 L391 L404 V407 A408 L430A339-F356 VanDerWaalsContact CA-O 3.31Å; A339-F356 WeakPolarHBondContact CA-O 3.34Å; A340-F356 PolarHBondContact N-O 2.97Å; A340-F356 PolarHBondContact O-N 2.87Å; V342-F356 HydrophobicContact CG2-CD2 4.49Å; V342-F356 HydrophobicContact CG2-CE2 3.73Å; Y354-F356 AromaticContact CD1-CD2 3.99Å; Y354-F356 HydrophobicContact CD1-CD2 3.99Å; Y354-F356 HydrophobicContact CD1-CE1 4.22Å; Y354-F356 AromaticContact CD1-CE2 3.45Å; Y354-F356 HydrophobicContact CD1-CE2 3.45Å; Y354-F356 VanDerWaalsContact CD1-CE2 3.45Å; Y354-F356 AromaticContact CD1-CZ 3.59Å; Y354-F356 HydrophobicContact CD1-CZ 3.59Å; Y354-F356 HydrophobicContact CE1-CD1 4.28Å; Y354-F356 HydrophobicContact CE1-CD2 4.39Å; Y354-F356 AromaticContact CE1-CE1 3.7Å; Y354-F356 HydrophobicContact CE1-CE1 3.7Å; Y354-F356 AromaticContact CE1-CE2 3.81Å; Y354-F356 HydrophobicContact CE1-CE2 3.81Å; Y354-F356 AromaticContact CE1-CZ 3.43Å; Y354-F356 HydrophobicContact CE1-CZ 3.43Å; Y354-F356 VanDerWaalsContact CE1-CZ 3.43Å; Y354-F356 HydrophobicContact CG-CE2 4.38Å; F356-Y360 PolarHBondContact O-OH 3.01Å; F356-Q386 WeakPolarHBondContact CA-O 3.29Å; F356-Q386 HydrophobicContact CD1-CB 3.97Å; F356-Q386 HydrophobicContact CD1-CG 4.18Å; F356-Q386 HydrophobicContact CE1-CB 4.16Å; F356-Q386 HydrophobicContact CE1-CG 4.24Å; F356-Q386 VanDerWaalsContact CE1-OE1 3.29Å; F356-L391 HydrophobicContact CB-CD2 3.56Å; F356-L404 HydrophobicContact CB-CD2 4.4Å; F356-L404 HydrophobicContact CD1-CD2 3.91Å; F356-L404 HydrophobicContact CD2-CB 4.06Å; F356-L404 HydrophobicContact CD2-CD1 4.12Å; F356-L404 HydrophobicContact CD2-CD2 3.93Å; F356-L404 HydrophobicContact CD2-CG 4.27Å; F356-L404 HydrophobicContact CE1-CD2 4.07Å; F356-L404 HydrophobicContact CE2-CB 3.74Å; F356-L404 HydrophobicContact CE2-CD2 4.1Å; F356-L404 HydrophobicContact CE2-CG 4.37Å; F356-L404 HydrophobicContact CG-CD1 4.48Å; F356-L404 HydrophobicContact CG-CD2 3.83Å; F356-L404 HydrophobicContact CZ-CB 4.21Å; F356-L404 HydrophobicContact CZ-CD2 4.16Å; F356-L404 WeakPolarHBondContact CZ-O 3.05Å; F356-V407 HydrophobicContact CE1-CG1 4.07Å; F356-V407 HydrophobicContact CZ-CB 4.33Å; F356-V407 HydrophobicContact CZ-CG1 4.16Å; F356-A408 HydrophobicContact CZ-CB 4.44Å; F356-L430 HydrophobicContact CD1-CD2 3.73Å; F356-L430 HydrophobicContact CE1-CD2 4Å
357G91.3Very high86.3Confident0 Ų054 Ų540%031%0.308CS..EExtended strand (participates in β ladder)trans-179.8-175.917500000112.3Y360 Q386 K387 A388G357-Y360 WeakPolarHBondContact CA-OH 3.13Å; G357-Y360 VanDerWaalsContact N-CE2 3.29Å; G357-Q386 PolarHBondContact N-O 2.95Å; G357-K387 WeakPolarHBondContact O-CA 3.48Å; G357-A388 PolarHBondContact O-N 2.8Å
358H86.7Confident87.8Confident57 Ų5748.9 Ų48.926%0.26427%0.266SS..SBendtrans-92.5150.8-176.2-60.3-101.1000111.5Y360 A388 E389 S390H358-Y360 PolarHBondContact O-N 3.49Å; H358-A388 PolarHBondContact ND1-O 2.93Å; H358-E389 PolarHBondContact CE1-O 2.93Å; H358-E389 PolarHBondContact ND1-O 3.15Å; H358-S390 VanDerWaalsContact CE1-CA 3.46Å; H358-S390 WeakPolarHBondContact CE1-CA 3.33Å
359D82.7Confident89.5Confident104 Ų10445.1 Ų45.156%0.55624%0.24SC*.  trans51.432.9164.8-58.4-40.3000116.6T361 L364 K387D359-T361 PolarHBondContact O-N 3.26Å; D359-L364 WeakPolarHBondContact O-CD2 3.48Å; D359-K387 IonicContact OD1-NZ 3.74Å; D359-K387 PolarHBondContact OD1-NZ 2.68Å
360Y88.2Confident90.9Very high26 Ų2644.9 Ų44.910%0.10225%0.246CC..  trans-63.299.6171.7-66.7-31.3000111.3C355 F356 G357 H358 L364 V365 I368 F385C355-Y360 PolarHBondContact SG-OH 3.4Å; F356-Y360 PolarHBondContact O-OH 3.01Å; G357-Y360 WeakPolarHBondContact CA-OH 3.13Å; G357-Y360 VanDerWaalsContact N-CE2 3.29Å; H358-Y360 PolarHBondContact O-N 3.49Å; Y360-L364 HydrophobicContact CD1-CD2 4.23Å; Y360-V365 HydrophobicContact CG-CG2 4.28Å; Y360-I368 HydrophobicContact CD1-CD1 3.99Å; Y360-I368 HydrophobicContact CE1-CD1 3.67Å; Y360-F385 HydrophobicContact CD2-CB 3.77Å; Y360-F385 HydrophobicContact CD2-CD1 4.15Å; Y360-F385 HydrophobicContact CD2-CG 4.48Å; Y360-F385 HydrophobicContact CE1-CD1 4.28Å; Y360-F385 HydrophobicContact CE2-CB 4.15Å; Y360-F385 AromaticContact CE2-CD1 3.86Å; Y360-F385 HydrophobicContact CE2-CD1 3.86Å; Y360-F385 HydrophobicContact CG-CB 4.29Å; Y360-F385 HydrophobicContact CG-CD1 4.46Å; Y360-F385 AromaticContact CZ-CD1 3.96Å
361T90.6Very high92Very high67 Ų6745.5 Ų45.541%0.41124%0.235SC..  trans-87.5157164.865.40000109.8D359 Q363 L364 V365D359-T361 PolarHBondContact O-N 3.26Å; T361-Q363 PolarHBondContact O-N 2.84Å; T361-L364 PolarHBondContact O-N 3Å; T361-L364 VanDerWaalsContact O-N 3.13Å; T361-L364 VanDerWaalsContact OG1-CB 3.31Å; T361-L364 WeakPolarHBondContact OG1-CB 3.44Å; T361-L364 PolarHBondContact OG1-N 2.73Å; T361-V365 WeakPolarHBondContact O-CG2 3.3Å; T361-V365 PolarHBondContact O-N 2.76Å
362P91.2Very high92.4Very high100 Ų10042.4 Ų42.465%0.64922%0.221SC*.Hα-helixtrans-53.6-38.1176.6-2836000113.4E366P362-E366 PolarHBondContact O-N 3.1Å
363Q93.8Very high92.6Very high130 Ų13048.4 Ų48.461%0.60724%0.243SC*.Hα-helixtrans-65.6-50.1176.9-65.577.58.400111.2T361 V365 E366 E367T361-Q363 PolarHBondContact O-N 2.84Å; Q363-V365 VanDerWaalsContact C-N 3.29Å; Q363-V365 PolarHBondContact O-N 3.05Å; Q363-E366 PolarHBondContact O-N 2.66Å; Q363-E367 WeakPolarHBondContact O-CG 3.22Å; Q363-E367 PolarHBondContact O-N 3.42Å
364L93.2Very high92.5Very high12 Ų1251.8 Ų51.86%0.06328%0.278CS..Hα-helixtrans-61.6-39.2179.1178.558.7000111.6H333 V336 D359 Y360 T361 E366 E367 I368H333-L364 WeakPolarHBondContact ND1-CD1 3.44Å; V336-L364 HydrophobicContact CG2-CD1 4.44Å; D359-L364 WeakPolarHBondContact O-CD2 3.48Å; Y360-L364 HydrophobicContact CD1-CD2 4.23Å; T361-L364 PolarHBondContact O-N 3Å; T361-L364 VanDerWaalsContact O-N 3.13Å; T361-L364 VanDerWaalsContact OG1-CB 3.31Å; T361-L364 WeakPolarHBondContact OG1-CB 3.44Å; T361-L364 PolarHBondContact OG1-N 2.73Å; L364-E366 PolarHBondContact O-N 2.81Å; L364-E367 PolarHBondContact O-N 3.03Å; L364-I368 HydrophobicContact CD1-CD1 3.92Å; L364-I368 HydrophobicContact CD1-CG1 4.05Å; L364-I368 HydrophobicContact CD2-CD1 4.41Å; L364-I368 HydrophobicContact CG-CD1 3.72Å; L364-I368 HydrophobicContact CG-CG1 4.33Å; L364-I368 WeakPolarHBondContact O-CB 3.19Å; L364-I368 WeakPolarHBondContact O-CD1 3.09Å; L364-I368 WeakPolarHBondContact O-CG1 3.34Å; L364-I368 PolarHBondContact O-N 3.46Å
365V94.8Very high92.2Very high18 Ų1857.5 Ų57.511%0.10930%0.303CS..Hα-helixtrans-60.4-46.4176.8167.90000111.1Y360 T361 Q363 I368 K369 F385Y360-V365 HydrophobicContact CG-CG2 4.28Å; T361-V365 WeakPolarHBondContact O-CG2 3.3Å; T361-V365 PolarHBondContact O-N 2.76Å; Q363-V365 VanDerWaalsContact C-N 3.29Å; Q363-V365 PolarHBondContact O-N 3.05Å; V365-I368 PolarHBondContact O-N 2.81Å; V365-K369 HydrophobicContact CG1-CD 4.25Å; V365-K369 HydrophobicContact CG1-CG 4.42Å; V365-K369 VanDerWaalsContact O-CG 3.29Å; V365-K369 WeakPolarHBondContact O-CG 3.44Å; V365-K369 PolarHBondContact O-N 3.18Å; V365-F385 HydrophobicContact CG1-CB 4.43Å; V365-F385 HydrophobicContact CG1-CD2 3.55Å; V365-F385 HydrophobicContact CG1-CE2 3.89Å; V365-F385 HydrophobicContact CG1-CG 3.97Å; V365-F385 HydrophobicContact CG2-CB 3.85Å; V365-F385 HydrophobicContact CG2-CD1 4.37Å; V365-F385 HydrophobicContact CG2-CD2 4.4Å; V365-F385 HydrophobicContact CG2-CG 3.96Å
366E95.3Very high91.6Very high96 Ų9659.7 Ų59.745%0.44931%0.314SS..Hα-helixtrans-67.1-37.7178.6-70.4-55.2127.600112.5P362 Q363 L364 K369 C370P362-E366 PolarHBondContact O-N 3.1Å; Q363-E366 PolarHBondContact O-N 2.66Å; L364-E366 PolarHBondContact O-N 2.81Å; E366-K369 PolarHBondContact O-N 3.42Å; E366-K369 WeakPolarHBondContact OE1-CD 3.19Å; E366-K369 IonicContact OE1-NZ 2.82Å; E366-K369 PolarHBondContact OE1-NZ 2.81Å; E366-C370 WeakPolarHBondContact O-CB 3.22Å; E366-C370 PolarHBondContact O-N 2.92Å; E366-C370 PolarHBondContact O-SG 2.98Å
367E95.4Very high91.1Very high99 Ų9960.2 Ų60.246%0.46332%0.319SS..Hα-helixtrans-60.4-46172.7-71.4172.1-178.400111.8H333 Q363 L364 C370 K371H333-E367 IonicContact CE1-OE2 2.77Å; H333-E367 PolarHBondContact CE1-OE2 3.11Å; H333-E367 IonicContact NE2-OE2 2.62Å; H333-E367 PolarHBondContact NE2-OE2 2.86Å; Q363-E367 WeakPolarHBondContact O-CG 3.22Å; Q363-E367 PolarHBondContact O-N 3.42Å; L364-E367 PolarHBondContact O-N 3.03Å; E367-C370 PolarHBondContact O-N 3.23Å; E367-K371 WeakPolarHBondContact O-CB 3.48Å; E367-K371 PolarHBondContact O-N 3.36Å
368I95.2Very high91Very high0 Ų064.9 Ų64.90%035%0.349CS..Hα-helixtrans-62.7-47.7176.5-68.9165.1000110.6V330 H333 V336 Y360 L364 V365 C370 K371 V372 F385V330-I368 HydrophobicContact CB-CG2 4.14Å; V330-I368 HydrophobicContact CG1-CD1 4.44Å; V330-I368 HydrophobicContact CG1-CG2 3.84Å; V330-I368 HydrophobicContact CG2-CG2 3.72Å; H333-I368 HydrophobicContact CB-CG1 4.33Å; V336-I368 HydrophobicContact CG2-CD1 3.52Å; V336-I368 HydrophobicContact CG2-CG1 4.01Å; Y360-I368 HydrophobicContact CD1-CD1 3.99Å; Y360-I368 HydrophobicContact CE1-CD1 3.67Å; L364-I368 HydrophobicContact CD1-CD1 3.92Å; L364-I368 HydrophobicContact CD1-CG1 4.05Å; L364-I368 HydrophobicContact CD2-CD1 4.41Å; L364-I368 HydrophobicContact CG-CD1 3.72Å; L364-I368 HydrophobicContact CG-CG1 4.33Å; L364-I368 WeakPolarHBondContact O-CB 3.19Å; L364-I368 WeakPolarHBondContact O-CD1 3.09Å; L364-I368 WeakPolarHBondContact O-CG1 3.34Å; L364-I368 PolarHBondContact O-N 3.46Å; V365-I368 PolarHBondContact O-N 2.81Å; I368-C370 VanDerWaalsContact C-N 3.3Å; I368-C370 PolarHBondContact O-N 3.47Å; I368-K371 WeakPolarHBondContact O-CA 3.48Å; I368-K371 WeakPolarHBondContact O-CB 3.38Å; I368-K371 PolarHBondContact O-N 3.43Å; I368-V372 HydrophobicContact CG2-CG2 4.2Å; I368-V372 WeakPolarHBondContact O-CG2 3.31Å; I368-V372 PolarHBondContact O-N 2.88Å; I368-F385 HydrophobicContact CB-CE1 4.34Å; I368-F385 HydrophobicContact CG2-CE1 3.67Å; I368-F385 HydrophobicContact CG2-CZ 3.9Å
369K95.9Very high90.9Very high47 Ų4764.6 Ų64.620%0.20435%0.352CS..Hα-helixtrans-57.6-43.4178.1-74-179.7-175.5164.90111.7V365 E366 K371 R373 V381 F385V365-K369 HydrophobicContact CG1-CD 4.25Å; V365-K369 HydrophobicContact CG1-CG 4.42Å; V365-K369 VanDerWaalsContact O-CG 3.29Å; V365-K369 WeakPolarHBondContact O-CG 3.44Å; V365-K369 PolarHBondContact O-N 3.18Å; E366-K369 PolarHBondContact O-N 3.42Å; E366-K369 WeakPolarHBondContact OE1-CD 3.19Å; E366-K369 IonicContact OE1-NZ 2.82Å; E366-K369 PolarHBondContact OE1-NZ 2.81Å; K369-K371 VanDerWaalsContact C-N 3.3Å; K369-K371 PolarHBondContact O-N 2.84Å; K369-R373 VanDerWaalsContact O-CB 3.28Å; K369-R373 WeakPolarHBondContact O-CB 3.49Å; K369-R373 PolarHBondContact O-N 3.17Å; K369-V381 HydrophobicContact CB-CG1 3.77Å; K369-V381 HydrophobicContact CD-CG1 4.12Å; K369-V381 HydrophobicContact CG-CG1 3.56Å; K369-F385 HydrophobicContact CD-CE2 4.3Å; K369-F385 HydrophobicContact CG-CE2 3.68Å; K369-F385 HydrophobicContact CG-CZ 3.99Å
370C95.4Very high91.2Very high71 Ų7159.6 Ų59.648%0.4833%0.325SS..Hα-helixtrans-61.2-41.5175.5-69.30000111.4E366 E367 I368 R373 G374E366-C370 WeakPolarHBondContact O-CB 3.22Å; E366-C370 PolarHBondContact O-N 2.92Å; E366-C370 PolarHBondContact O-SG 2.98Å; E367-C370 PolarHBondContact O-N 3.23Å; I368-C370 VanDerWaalsContact C-N 3.3Å; I368-C370 PolarHBondContact O-N 3.47Å; C370-R373 PolarHBondContact O-N 2.92Å; C370-G374 PolarHBondContact O-N 3.43Å
371K92.6Very high91.5Very high63 Ų6359.2 Ų59.227%0.27433%0.325SS..Hα-helixtrans-66.3-45.2179.5-161.2164.1-159.1166.20112.8S332 H333 E367 I368 K369 G374 K375S332-K371 PolarHBondContact O-NZ 2.91Å; S332-K371 WeakPolarHBondContact OG-CE 3.49Å; H333-K371 HydrophobicContact CB-CD 4.2Å; E367-K371 WeakPolarHBondContact O-CB 3.48Å; E367-K371 PolarHBondContact O-N 3.36Å; I368-K371 WeakPolarHBondContact O-CA 3.48Å; I368-K371 WeakPolarHBondContact O-CB 3.38Å; I368-K371 PolarHBondContact O-N 3.43Å; K369-K371 VanDerWaalsContact C-N 3.3Å; K369-K371 PolarHBondContact O-N 2.84Å; K371-G374 PolarHBondContact O-N 2.95Å; K371-K375 WeakPolarHBondContact O-CB 3.46Å; K371-K375 PolarHBondContact O-N 3.45Å
372V92.1Very high91.7Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-63.3-44.7176176.90000110.7I326 A329 V330 I368 G374 K375 I376 G377 A380 V381I326-V372 HydrophobicContact CG2-CG1 4.43Å; A329-V372 HydrophobicContact CB-CB 4.48Å; A329-V372 HydrophobicContact CB-CG2 3.99Å; V330-V372 HydrophobicContact CG2-CG2 3.59Å; I368-V372 HydrophobicContact CG2-CG2 4.2Å; I368-V372 WeakPolarHBondContact O-CG2 3.31Å; I368-V372 PolarHBondContact O-N 2.88Å; V372-G374 VanDerWaalsContact C-N 3.29Å; V372-G374 PolarHBondContact O-N 2.92Å; V372-K375 PolarHBondContact O-N 3.44Å; V372-I376 HydrophobicContact CG1-CD1 4.32Å; V372-I376 PolarHBondContact O-N 2.95Å; V372-G377 PolarHBondContact O-N 3.31Å; V372-A380 HydrophobicContact CG1-CB 4.11Å; V372-A380 WeakPolarHBondContact CG1-O 3.19Å; V372-V381 HydrophobicContact CB-CG2 4.49Å; V372-V381 HydrophobicContact CG1-CG2 4.32Å
373R93.8Very high91.7Very high127 Ų12755 Ų5548%0.47929%0.292SS..Hα-helixtrans-58.3-41.1176.1-174.8-179.2-64.41391.3112.4K369 C370 G377 P378 V381K369-R373 VanDerWaalsContact O-CB 3.28Å; K369-R373 WeakPolarHBondContact O-CB 3.49Å; K369-R373 PolarHBondContact O-N 3.17Å; C370-R373 PolarHBondContact O-N 2.92Å; R373-G377 WeakPolarHBondContact O-CA 3.28Å; R373-G377 PolarHBondContact O-N 2.84Å; R373-P378 HydrophobicContact CG-CB 4.44Å; R373-V381 HydrophobicContact CB-CG2 3.81Å
374G90.2Very high91.7Very high70 Ų7049.1 Ų49.172%0.72227%0.265SS*.Hα-helixtrans-75.8-29.5-179.900000114.3C370 K371 V372C370-G374 PolarHBondContact O-N 3.43Å; K371-G374 PolarHBondContact O-N 2.95Å; V372-G374 VanDerWaalsContact C-N 3.29Å; V372-G374 PolarHBondContact O-N 2.92Å
375K86.8Confident91.8Very high120 Ų12050 Ų5052%0.52227%0.269SS..Hα-helixtrans-88.4-38.4-178-81-168.3162.2-169.10114.5A329 S332 K371 V372A329-K375 HydrophobicContact CB-CB 4.2Å; A329-K375 HydrophobicContact CB-CD 4.15Å; S332-K375 PolarHBondContact OG-NZ 3.47Å; K371-K375 WeakPolarHBondContact O-CB 3.46Å; K371-K375 PolarHBondContact O-N 3.45Å; V372-K375 PolarHBondContact O-N 3.44Å
376I83.9Confident91.7Very high47 Ų4749.5 Ų49.524%0.24127%0.265CS..THydrogen-bonded Turntrans-117-58.9-173.8-52.9173.9000108.8E325 I326 A329 V372 A380E325-I376 HydrophobicContact CB-CD1 4.32Å; E325-I376 HydrophobicContact CG-CD1 3.73Å; E325-I376 HydrophobicContact CG-CG1 4.09Å; E325-I376 WeakPolarHBondContact O-CD1 3.49Å; I326-I376 HydrophobicContact CB-CD1 4.48Å; I326-I376 HydrophobicContact CG1-CD1 4.15Å; A329-I376 HydrophobicContact CB-CD1 3.72Å; A329-I376 HydrophobicContact CB-CG1 4.12Å; V372-I376 HydrophobicContact CG1-CD1 4.32Å; V372-I376 PolarHBondContact O-N 2.95Å; I376-A380 HydrophobicContact CB-CB 3.79Å; I376-A380 HydrophobicContact CD1-CB 4.19Å; I376-A380 HydrophobicContact CG2-CB 3.44Å; I376-A380 VanDerWaalsContact CG2-CB 3.44Å
377G84.8Confident91.6Very high11 Ų1150.4 Ų50.411%0.11327%0.268CS..  trans151.8172.7-179.400000112.7V372 R373 V379 A380V372-G377 PolarHBondContact O-N 3.31Å; R373-G377 WeakPolarHBondContact O-CA 3.28Å; R373-G377 PolarHBondContact O-N 2.84Å; G377-V379 VanDerWaalsContact C-N 3.29Å; G377-V379 PolarHBondContact O-N 3.46Å; G377-A380 PolarHBondContact O-N 2.72Å
378P89.4Confident91.3Very high97 Ų9745.9 Ų45.963%0.6325%0.247SC*.G310 helixtrans-65-30.4-176.325.4-33.9000113.6R373 A380 V381R373-P378 HydrophobicContact CG-CB 4.44Å; P378-A380 VanDerWaalsContact C-N 3.26Å; P378-A380 PolarHBondContact O-N 2.87Å; P378-V381 PolarHBondContact O-N 3.3Å
379V84.2Confident90.8Very high51 Ų5152.5 Ų52.531%0.30928%0.278SS..G310 helixtrans-70-22.8179.7-640000113.2H319 L321 G377H319-V379 HydrophobicContact CB-CG2 4.36Å; L321-V379 HydrophobicContact CD1-CG2 4.38Å; L321-V379 HydrophobicContact CD2-CG2 4.41Å; G377-V379 VanDerWaalsContact C-N 3.29Å; G377-V379 PolarHBondContact O-N 3.46Å
380A89.3Confident90.5Very high0 Ų051.5 Ų51.50%028%0.277CS..G310 helixtrans-89.8-6-177.600000114L321 I326 V372 I376 G377 P378 P382L321-A380 HydrophobicContact CD1-CB 4.07Å; L321-A380 HydrophobicContact CD2-CB 4.38Å; I326-A380 HydrophobicContact CD1-CB 4.4Å; I326-A380 HydrophobicContact CG1-CB 4.21Å; V372-A380 HydrophobicContact CG1-CB 4.11Å; V372-A380 WeakPolarHBondContact CG1-O 3.19Å; I376-A380 HydrophobicContact CB-CB 3.79Å; I376-A380 HydrophobicContact CD1-CB 4.19Å; I376-A380 HydrophobicContact CG2-CB 3.44Å; I376-A380 VanDerWaalsContact CG2-CB 3.44Å; G377-A380 PolarHBondContact O-N 2.72Å; P378-A380 VanDerWaalsContact C-N 3.26Å; P378-A380 PolarHBondContact O-N 2.87Å; A380-P382 VanDerWaalsContact O-CD 3.3Å; A380-P382 WeakPolarHBondContact O-CD 3.46Å
381V94.6Very high90.3Very high17 Ų1748.3 Ų48.310%0.10326%0.255CS..SBendtrans-68120.9-179.1179.80000109.4K369 V372 R373 P378 E383K369-V381 HydrophobicContact CB-CG1 3.77Å; K369-V381 HydrophobicContact CD-CG1 4.12Å; K369-V381 HydrophobicContact CG-CG1 3.56Å; V372-V381 HydrophobicContact CB-CG2 4.49Å; V372-V381 HydrophobicContact CG1-CG2 4.32Å; R373-V381 HydrophobicContact CB-CG2 3.81Å; P378-V381 PolarHBondContact O-N 3.3Å; V381-E383 PolarHBondContact O-N 2.97Å
382P94Very high90.1Very high1 Ų145.4 Ų45.41%0.00624%0.243CC..  trans-59.2136.2175.5-22.132000111.9I326 P353 C355 A380 F385I326-P382 HydrophobicContact CG2-CG 3.9Å; P353-P382 HydrophobicContact CB-CB 4.18Å; P353-P382 HydrophobicContact CB-CG 4.25Å; P353-P382 VanDerWaalsContact O-CA 3.27Å; P353-P382 WeakPolarHBondContact O-CA 3.36Å; P353-P382 WeakPolarHBondContact O-CB 3.4Å; C355-P382 HydrophobicContact CB-CB 3.71Å; C355-P382 HydrophobicContact CB-CG 3.86Å; A380-P382 VanDerWaalsContact O-CD 3.3Å; A380-P382 WeakPolarHBondContact O-CD 3.46Å; P382-F385 HydrophobicContact CB-CD2 4.44Å; P382-F385 HydrophobicContact CB-CE1 4.28Å; P382-F385 HydrophobicContact CB-CE2 3.8Å; P382-F385 HydrophobicContact CB-CZ 3.71Å; P382-F385 HydrophobicContact CG-CE1 4.25Å; P382-F385 HydrophobicContact CG-CE2 4.37Å; P382-F385 HydrophobicContact CG-CZ 3.79Å; P382-F385 VanDerWaalsContact O-CE2 3.28Å; P382-F385 WeakPolarHBondContact O-CE2 3.46Å
383E91.9Very high89.9Confident77 Ų7748 Ų4836%0.3625%0.254SS..SBendtrans-86-27.3177.4-69.4-165.9-150.100111.8K349 I352 P353 V381K349-E383 VanDerWaalsContact CD-OE1 3.3Å; K349-E383 WeakPolarHBondContact CD-OE1 3.29Å; K349-E383 WeakPolarHBondContact CE-OE1 3.06Å; K349-E383 IonicContact NZ-OE1 2.59Å; K349-E383 PolarHBondContact NZ-OE1 2.69Å; I352-E383 HydrophobicContact CB-CB 4.39Å; I352-E383 HydrophobicContact CB-CG 4.25Å; I352-E383 HydrophobicContact CD1-CB 3.93Å; I352-E383 VanDerWaalsContact CG2-CD 3.49Å; I352-E383 HydrophobicContact CG2-CG 4.21Å; I352-E383 WeakPolarHBondContact CG2-OE1 3.39Å; P353-E383 PolarHBondContact O-N 3.03Å; V381-E383 PolarHBondContact O-N 2.97Å
384V93.7Very high89.2Confident7 Ų742.6 Ų42.64%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-120.2134.1176.5-1740000110.1Y354 C355 H435 F437Y354-V384 HydrophobicContact CD1-CB 4.26Å; Y354-V384 HydrophobicContact CD1-CG1 4.22Å; Y354-V384 HydrophobicContact CD2-CB 3.67Å; Y354-V384 HydrophobicContact CD2-CG1 3.97Å; Y354-V384 HydrophobicContact CD2-CG2 3.94Å; Y354-V384 HydrophobicContact CE1-CB 4.3Å; Y354-V384 HydrophobicContact CE1-CG1 3.77Å; Y354-V384 HydrophobicContact CE2-CB 3.7Å; Y354-V384 HydrophobicContact CE2-CG1 3.48Å; Y354-V384 VanDerWaalsContact CE2-CG1 3.48Å; Y354-V384 HydrophobicContact CE2-CG2 3.93Å; Y354-V384 HydrophobicContact CG-CB 3.96Å; Y354-V384 HydrophobicContact CG-CG1 4.32Å; C355-V384 PolarHBondContact N-O 2.74Å; V384-H435 HydrophobicContact CG1-CB 3.68Å; V384-F437 HydrophobicContact CG2-CE1 3.49Å; V384-F437 VanDerWaalsContact CG2-CE1 3.49Å; V384-F437 HydrophobicContact CG2-CZ 3.48Å; V384-F437 VanDerWaalsContact CG2-CZ 3.48Å
385F94.3Very high88.3Confident32 Ų3249.4 Ų49.414%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-119.8102.5169.8-72.8-92.4000107.6C355 Y360 V365 I368 K369 P382C355-F385 HydrophobicContact CB-CD1 3.84Å; C355-F385 HydrophobicContact CB-CE1 3.91Å; C355-F385 HydrophobicContact CB-CG 4.46Å; C355-F385 CarbonylContact O-C 3.49Å; C355-F385 WeakPolarHBondContact O-CA 3Å; Y360-F385 HydrophobicContact CD2-CB 3.77Å; Y360-F385 HydrophobicContact CD2-CD1 4.15Å; Y360-F385 HydrophobicContact CD2-CG 4.48Å; Y360-F385 HydrophobicContact CE1-CD1 4.28Å; Y360-F385 HydrophobicContact CE2-CB 4.15Å; Y360-F385 AromaticContact CE2-CD1 3.86Å; Y360-F385 HydrophobicContact CE2-CD1 3.86Å; Y360-F385 HydrophobicContact CG-CB 4.29Å; Y360-F385 HydrophobicContact CG-CD1 4.46Å; Y360-F385 AromaticContact CZ-CD1 3.96Å; V365-F385 HydrophobicContact CG1-CB 4.43Å; V365-F385 HydrophobicContact CG1-CD2 3.55Å; V365-F385 HydrophobicContact CG1-CE2 3.89Å; V365-F385 HydrophobicContact CG1-CG 3.97Å; V365-F385 HydrophobicContact CG2-CB 3.85Å; V365-F385 HydrophobicContact CG2-CD1 4.37Å; V365-F385 HydrophobicContact CG2-CD2 4.4Å; V365-F385 HydrophobicContact CG2-CG 3.96Å; I368-F385 HydrophobicContact CB-CE1 4.34Å; I368-F385 HydrophobicContact CG2-CE1 3.67Å; I368-F385 HydrophobicContact CG2-CZ 3.9Å; K369-F385 HydrophobicContact CD-CE2 4.3Å; K369-F385 HydrophobicContact CG-CE2 3.68Å; K369-F385 HydrophobicContact CG-CZ 3.99Å; P382-F385 HydrophobicContact CB-CD2 4.44Å; P382-F385 HydrophobicContact CB-CE1 4.28Å; P382-F385 HydrophobicContact CB-CE2 3.8Å; P382-F385 HydrophobicContact CB-CZ 3.71Å; P382-F385 HydrophobicContact CG-CE1 4.25Å; P382-F385 HydrophobicContact CG-CE2 4.37Å; P382-F385 HydrophobicContact CG-CZ 3.79Å; P382-F385 VanDerWaalsContact O-CE2 3.28Å; P382-F385 WeakPolarHBondContact O-CE2 3.46Å
386Q94.1Very high87.5Confident6 Ų646.5 Ų46.53%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-95.8123.7177.4-178.7173.6-20.900109.8Y354 C355 F356 G357 A388 L430 N433Y354-Q386 HydrophobicContact CE1-CB 3.57Å; Y354-Q386 PolarHBondContact OH-OE1 2.8Å; C355-Q386 PolarHBondContact O-N 3.34Å; F356-Q386 WeakPolarHBondContact CA-O 3.29Å; F356-Q386 HydrophobicContact CD1-CB 3.97Å; F356-Q386 HydrophobicContact CD1-CG 4.18Å; F356-Q386 HydrophobicContact CE1-CB 4.16Å; F356-Q386 HydrophobicContact CE1-CG 4.24Å; F356-Q386 VanDerWaalsContact CE1-OE1 3.29Å; G357-Q386 PolarHBondContact N-O 2.95Å; Q386-A388 PolarHBondContact O-N 2.59Å; Q386-L430 PolarHBondContact NE2-O 3.48Å; Q386-N433 PolarHBondContact NE2-O 3.43Å
387K91.7Very high87Confident116 Ų11645 Ų4550%0.50423%0.23SC..EExtended strand (participates in β ladder)trans-67.5127.8169.8-173.1176.3-178.7174.20109.3G357 D359G357-K387 WeakPolarHBondContact O-CA 3.48Å; D359-K387 IonicContact OD1-NZ 3.74Å; D359-K387 PolarHBondContact OD1-NZ 2.68Å
388A89.6Confident86.7Confident4 Ų450.5 Ų50.53%0.03325%0.25CS..  trans-118.7140171.800000109.3G357 H358 Q386 S390 L391 L430G357-A388 PolarHBondContact O-N 2.8Å; H358-A388 PolarHBondContact ND1-O 2.93Å; Q386-A388 PolarHBondContact O-N 2.59Å; A388-S390 VanDerWaalsContact C-N 3.31Å; A388-L391 HydrophobicContact CB-CD2 4.34Å; A388-L430 HydrophobicContact CB-CD2 3.61Å
389E85.7Confident86.5Confident138 Ų13846.7 Ų46.765%0.64523%0.225SC*.SBendtrans-66.2-39172.7-66.3-161.9170.700111.1H358H358-E389 PolarHBondContact CE1-O 2.93Å; H358-E389 PolarHBondContact ND1-O 3.15Å
390S87.7Confident86.5Confident26 Ų2645.9 Ų45.918%0.18222%0.218CC..SBendtrans-151.5160166.468.50000110.4H358 A388 V426H358-S390 VanDerWaalsContact CE1-CA 3.46Å; H358-S390 WeakPolarHBondContact CE1-CA 3.33Å; A388-S390 VanDerWaalsContact C-N 3.31Å; S390-V426 WeakPolarHBondContact O-CG1 3.39Å; S390-V426 WeakPolarHBondContact OG-CG1 3.44Å; S390-V426 WeakPolarHBondContact OG-CG2 3.4Å
391L91.6Very high86.4Confident5 Ų548.2 Ų48.23%0.02623%0.227CC..  trans-83.9141.9172.7-66.5177.6000109.7E338 A340 F356 A388 K393 I399 L404E338-L391 HydrophobicContact CB-CD1 4.31Å; E338-L391 HydrophobicContact CG-CD1 3.72Å; A340-L391 HydrophobicContact CB-CD1 3.9Å; A340-L391 HydrophobicContact CB-CD2 4.15Å; F356-L391 HydrophobicContact CB-CD2 3.56Å; A388-L391 HydrophobicContact CB-CD2 4.34Å; L391-K393 WeakPolarHBondContact O-CG 3.23Å; L391-K393 PolarHBondContact O-N 2.76Å; L391-K393 VanDerWaalsContact O-N 3.08Å; L391-I399 HydrophobicContact CD1-CD1 3.95Å; L391-L404 HydrophobicContact CD2-CD1 4.45Å
392P89.5Confident85.9Confident1 Ų152.3 Ų52.31%0.00624%0.24CC..  trans-71.6111.2-177.529.7-29.7000108.1I399 M400 I403 L404 L421 V426 L430P392-I399 WeakPolarHBondContact O-CA 3.18Å; P392-M400 HydrophobicContact CB-CB 4.43Å; P392-M400 WeakPolarHBondContact O-CB 3.38Å; P392-M400 PolarHBondContact O-N 2.93Å; P392-I403 HydrophobicContact CB-CD1 4.22Å; P392-I403 HydrophobicContact CG-CB 4.3Å; P392-I403 HydrophobicContact CG-CG2 4.34Å; P392-L404 HydrophobicContact CG-CD2 3.7Å; P392-L404 HydrophobicContact CG-CG 3.87Å; P392-L421 HydrophobicContact CB-CD2 3.88Å; P392-V426 HydrophobicContact CB-CG1 4.46Å; P392-L430 HydrophobicContact CB-CD1 4.4Å; P392-L430 HydrophobicContact CG-CD1 3.89Å
393K86.8Confident85.6Confident54 Ų5452.2 Ų52.224%0.23524%0.24CC..BIsolated β-bridgetrans-121.2148.4-176.5-68.5175.4-164.2-1770111.9E338 L391 K398 I399 L421 A422E338-K393 VanDerWaalsContact CD-CE 3.44Å; E338-K393 WeakPolarHBondContact OE1-CE 3.38Å; E338-K393 IonicContact OE1-NZ 2.98Å; E338-K393 PolarHBondContact OE1-NZ 2.84Å; E338-K393 WeakPolarHBondContact OE2-CE 3.42Å; E338-K393 IonicContact OE2-NZ 3.48Å; E338-K393 PolarHBondContact OE2-NZ 3.2Å; L391-K393 WeakPolarHBondContact O-CG 3.23Å; L391-K393 PolarHBondContact O-N 2.76Å; L391-K393 VanDerWaalsContact O-N 3.08Å; K393-K398 CarbonylContact C-O 3.38Å; K393-K398 VanDerWaalsContact CA-O 3.26Å; K393-K398 WeakPolarHBondContact CA-O 3.26Å; K393-I399 HydrophobicContact CG-CG1 4.06Å; K393-L421 CarbonylContact O-C 3.58Å; K393-L421 WeakPolarHBondContact O-CA 3.47Å; K393-L421 WeakPolarHBondContact O-CD2 3.48Å; K393-A422 PolarHBondContact O-N 2.97Å
394T79.9Confident85.6Confident15 Ų1548.6 Ų48.69%0.09222%0.223CC..BIsolated β-bridgetrans-65.4166.6164.863.90000110.6S396 G397 K398 M400 S420T394-S396 PolarHBondContact O-N 3.43Å; T394-S396 VanDerWaalsContact O-N 3.17Å; T394-S396 PolarHBondContact OG1-N 3.05Å; T394-S396 PolarHBondContact OG1-OG 3.32Å; T394-G397 WeakPolarHBondContact O-CA 3.13Å; T394-G397 PolarHBondContact O-N 2.9Å; T394-G397 PolarHBondContact OG1-N 3.07Å; T394-K398 HydrophobicContact CG2-CB 4.3Å; T394-K398 PolarHBondContact N-O 2.89Å; T394-K398 WeakPolarHBondContact OG1-CB 3.24Å; T394-K398 PolarHBondContact OG1-N 2.83Å; T394-K398 VanDerWaalsContact OG1-N 3.07Å; T394-M400 HydrophobicContact CG2-CG 3.98Å; T394-M400 HydrophobicContact CG2-SD 3.62Å; T394-S420 VanDerWaalsContact CA-O 3.29Å; T394-S420 WeakPolarHBondContact CA-O 3.22Å
395R71.6Confident85.4Confident213 Ų21351.5 Ų51.580%0.80423%0.233SC*.THydrogen-bonded Turntrans-58.2-24.3169.7-62.5-176.7-173.9179.21.5113.9G397 S420R395-G397 VanDerWaalsContact C-N 3.28Å; R395-S420 PolarHBondContact N-O 3.31Å
396S70.1Confident85.1Confident58 Ų5850.4 Ų50.441%0.40623%0.231SC..THydrogen-bonded Turntrans-81.9-1.6172.655.10000114.1W104 T394W104-S396 WeakPolarHBondContact CZ2-OG 3.45Å; T394-S396 PolarHBondContact O-N 3.43Å; T394-S396 VanDerWaalsContact O-N 3.17Å; T394-S396 PolarHBondContact OG1-N 3.05Å; T394-S396 PolarHBondContact OG1-OG 3.32Å
397G72.5Confident85Confident15 Ų1550.1 Ų50.116%0.15523%0.23CC..  trans88.30.5178.400000115.1T394 R395 I399T394-G397 WeakPolarHBondContact O-CA 3.13Å; T394-G397 PolarHBondContact O-N 2.9Å; T394-G397 PolarHBondContact OG1-N 3.07Å; R395-G397 VanDerWaalsContact C-N 3.28Å; G397-I399 PolarHBondContact O-N 3.07Å
398K77.7Confident84.9Confident127 Ų12744.6 Ų44.655%0.55221%0.206SC*.  trans-70.8126.8178.4-175.4177.9-179.6175.80110.3K393 T394 M400K393-K398 CarbonylContact C-O 3.38Å; K393-K398 VanDerWaalsContact CA-O 3.26Å; K393-K398 WeakPolarHBondContact CA-O 3.26Å; T394-K398 HydrophobicContact CG2-CB 4.3Å; T394-K398 PolarHBondContact N-O 2.89Å; T394-K398 WeakPolarHBondContact OG1-CB 3.24Å; T394-K398 PolarHBondContact OG1-N 2.83Å; T394-K398 VanDerWaalsContact OG1-N 3.07Å; K398-M400 PolarHBondContact O-N 3.07Å
399I85.5Confident84.7Confident17 Ų1746.7 Ų46.79%0.08722%0.217CC..BIsolated β-bridgetrans-67.1127.2175.4-61.6165.2000109.8E338 A340 L391 P392 K393 G397 R401 L404E338-I399 HydrophobicContact CG-CD1 4.34Å; A340-I399 HydrophobicContact CB-CD1 4.28Å; A340-I399 HydrophobicContact CB-CG2 4.02Å; L391-I399 HydrophobicContact CD1-CD1 3.95Å; P392-I399 WeakPolarHBondContact O-CA 3.18Å; K393-I399 HydrophobicContact CG-CG1 4.06Å; G397-I399 PolarHBondContact O-N 3.07Å; I399-R401 VanDerWaalsContact C-N 3.33Å; I399-R401 HydrophobicContact CG2-CG 4.24Å; I399-R401 PolarHBondContact O-N 3.05Å; I399-L404 HydrophobicContact CG2-CD1 3.7Å
400M85.4Confident84.6Confident35 Ų3541.8 Ų41.817%0.17220%0.203CC..  trans-82.672.9179.3-70.8-73-76.700110.7P392 T394 K398 R402 I403 L421P392-M400 HydrophobicContact CB-CB 4.43Å; P392-M400 WeakPolarHBondContact O-CB 3.38Å; P392-M400 PolarHBondContact O-N 2.93Å; T394-M400 HydrophobicContact CG2-CG 3.98Å; T394-M400 HydrophobicContact CG2-SD 3.62Å; K398-M400 PolarHBondContact O-N 3.07Å; M400-R402 PolarHBondContact O-N 3.4Å; M400-R402 VanDerWaalsContact O-N 3.09Å; M400-I403 HydrophobicContact CB-CD1 3.88Å; M400-I403 HydrophobicContact CB-CG1 4.23Å; M400-I403 WeakPolarHBondContact O-CB 3.08Å; M400-I403 PolarHBondContact O-N 3.23Å; M400-L421 HydrophobicContact CB-CD2 4.17Å; M400-L421 HydrophobicContact CG-CD2 3.69Å
401R86.5Confident84.3Confident49 Ų4948.6 Ų48.619%0.18522%0.224CC..Hα-helixtrans-56.2-26.7-177-72-171.5179.482.65.3114.6D312 E327 V342 I399 I403 L404 R405D312-R401 WeakPolarHBondContact OD1-CD 3.23Å; D312-R401 WeakPolarHBondContact OD2-CD 3.17Å; D312-R401 IonicContact OD2-NH1 2.81Å; E327-R401 IonicContact OE1-CZ 3.63Å; E327-R401 IonicContact OE1-NE 3.71Å; E327-R401 PolarHBondContact OE1-NE 3.29Å; E327-R401 VanDerWaalsContact OE1-NE 3.13Å; E327-R401 IonicContact OE1-NH2 3.54Å; E327-R401 PolarHBondContact OE1-NH2 3.31Å; E327-R401 IonicContact OE2-CZ 3.6Å; E327-R401 IonicContact OE2-NH2 3.13Å; E327-R401 PolarHBondContact OE2-NH2 3.12Å; V342-R401 HydrophobicContact CG1-CB 4.36Å; V342-R401 HydrophobicContact CG1-CG 4.48Å; I399-R401 VanDerWaalsContact C-N 3.33Å; I399-R401 HydrophobicContact CG2-CG 4.24Å; I399-R401 PolarHBondContact O-N 3.05Å; R401-I403 VanDerWaalsContact C-N 3.26Å; R401-I403 PolarHBondContact O-N 3.48Å; R401-L404 PolarHBondContact O-N 3.1Å; R401-R405 VanDerWaalsContact O-CB 3.31Å; R401-R405 WeakPolarHBondContact O-CB 3.16Å; R401-R405 PolarHBondContact O-N 2.93Å
402R84.2Confident83.6Confident102 Ų10250.8 Ų50.839%0.38524%0.238SC..Hα-helixtrans-56-41.5172.8-178176.375.6164.1-9.4112.2M400 G406 F415M400-R402 PolarHBondContact O-N 3.4Å; M400-R402 VanDerWaalsContact O-N 3.09Å; R402-G406 PolarHBondContact O-N 3.23Å; R402-F415 PolarHBondContact NE-O 2.79Å; R402-F415 PolarHBondContact NH2-O 3.12Å
403I88.3Confident82.7Confident0 Ų056.5 Ų56.50%027%0.268CS..Hα-helixtrans-68.7-49.4179.9-60.9175.7000109.3P392 M400 R401 R405 G406 V407 F415 L418 L421 V427P392-I403 HydrophobicContact CB-CD1 4.22Å; P392-I403 HydrophobicContact CG-CB 4.3Å; P392-I403 HydrophobicContact CG-CG2 4.34Å; M400-I403 HydrophobicContact CB-CD1 3.88Å; M400-I403 HydrophobicContact CB-CG1 4.23Å; M400-I403 WeakPolarHBondContact O-CB 3.08Å; M400-I403 PolarHBondContact O-N 3.23Å; R401-I403 VanDerWaalsContact C-N 3.26Å; R401-I403 PolarHBondContact O-N 3.48Å; I403-R405 VanDerWaalsContact C-N 3.26Å; I403-R405 PolarHBondContact O-N 3.48Å; I403-G406 PolarHBondContact O-N 3.46Å; I403-G406 VanDerWaalsContact O-N 3.13Å; I403-V407 WeakPolarHBondContact O-CG2 3.2Å; I403-V407 PolarHBondContact O-N 2.9Å; I403-F415 HydrophobicContact CB-CD1 4.39Å; I403-F415 HydrophobicContact CG1-CB 4.43Å; I403-F415 HydrophobicContact CG1-CD1 4.49Å; I403-F415 HydrophobicContact CG2-CD1 4.14Å; I403-F415 HydrophobicContact CG2-CE1 4.14Å; I403-F415 HydrophobicContact CG2-CG 4.38Å; I403-F415 HydrophobicContact CG2-CZ 4.37Å; I403-F415 WeakPolarHBondContact O-CE1 3.31Å; I403-L418 HydrophobicContact CD1-CD2 3.62Å; I403-L418 HydrophobicContact CG1-CD2 4.25Å; I403-L421 HydrophobicContact CD1-CD1 3.77Å; I403-L421 HydrophobicContact CD1-CD2 4.03Å; I403-L421 HydrophobicContact CD1-CG 4.27Å; I403-V427 HydrophobicContact CD1-CG2 4.09Å; I403-V427 HydrophobicContact CG2-CG1 3.9Å; I403-V427 HydrophobicContact CG2-CG2 4.13Å
404L92.2Very high81.8Confident0 Ų063.2 Ų63.20%029%0.293CS..Hα-helixtrans-57-40.7177.4-63.9-178.2000112.2A340 V342 F356 L391 P392 I399 R401 V407 A408 L430A340-L404 HydrophobicContact CB-CD1 3.34Å; V342-L404 HydrophobicContact CG1-CB 3.78Å; F356-L404 HydrophobicContact CB-CD2 4.4Å; F356-L404 HydrophobicContact CD1-CD2 3.91Å; F356-L404 HydrophobicContact CD2-CB 4.06Å; F356-L404 HydrophobicContact CD2-CD1 4.12Å; F356-L404 HydrophobicContact CD2-CD2 3.93Å; F356-L404 HydrophobicContact CD2-CG 4.27Å; F356-L404 HydrophobicContact CE1-CD2 4.07Å; F356-L404 HydrophobicContact CE2-CB 3.74Å; F356-L404 HydrophobicContact CE2-CD2 4.1Å; F356-L404 HydrophobicContact CE2-CG 4.37Å; F356-L404 HydrophobicContact CG-CD1 4.48Å; F356-L404 HydrophobicContact CG-CD2 3.83Å; F356-L404 HydrophobicContact CZ-CB 4.21Å; F356-L404 HydrophobicContact CZ-CD2 4.16Å; F356-L404 WeakPolarHBondContact CZ-O 3.05Å; L391-L404 HydrophobicContact CD2-CD1 4.45Å; P392-L404 HydrophobicContact CG-CD2 3.7Å; P392-L404 HydrophobicContact CG-CG 3.87Å; I399-L404 HydrophobicContact CG2-CD1 3.7Å; R401-L404 PolarHBondContact O-N 3.1Å; L404-V407 PolarHBondContact O-N 3.08Å; L404-A408 WeakPolarHBondContact O-CB 3.25Å; L404-A408 PolarHBondContact O-N 3.3Å; L404-L430 HydrophobicContact CD2-CD1 3.87Å; L404-L430 HydrophobicContact CD2-CD2 4.2Å
405R88.8Confident81.7Confident68 Ų6863.3 Ų63.326%0.25729%0.291SS..Hα-helixtrans-67.7-42.9176.4-159.3-177.6-52.6-161.12.2112D311 D312 V342 R401 I403 V407 A408 D409D311-R405 PolarHBondContact O-NH1 2.85Å; D311-R405 PolarHBondContact O-NH2 2.75Å; D312-R405 IonicContact OD1-NH2 2.69Å; D312-R405 PolarHBondContact OD1-NH2 3.03Å; V342-R405 HydrophobicContact CB-CB 4.4Å; V342-R405 HydrophobicContact CG1-CB 4.48Å; R401-R405 VanDerWaalsContact O-CB 3.31Å; R401-R405 WeakPolarHBondContact O-CB 3.16Å; R401-R405 PolarHBondContact O-N 2.93Å; I403-R405 VanDerWaalsContact C-N 3.26Å; I403-R405 PolarHBondContact O-N 3.48Å; R405-V407 VanDerWaalsContact C-N 3.29Å; R405-V407 PolarHBondContact O-N 3.06Å; R405-A408 PolarHBondContact O-N 2.9Å; R405-D409 VanDerWaalsContact O-CB 3.25Å; R405-D409 WeakPolarHBondContact O-CB 3.43Å; R405-D409 VanDerWaalsContact O-CG 3.23Å; R405-D409 PolarHBondContact O-N 3.2Å
406G88.2Confident81.7Confident10 Ų1055.6 Ų55.610%0.10328%0.278CS..Hα-helixtrans-61.8-37.6173.600000112.4R402 I403 G410 R411R402-G406 PolarHBondContact O-N 3.23Å; I403-G406 PolarHBondContact O-N 3.46Å; I403-G406 VanDerWaalsContact O-N 3.13Å; G406-G410 CarbonylContact O-C 3.59Å; G406-G410 PolarHBondContact O-N 3.18Å; G406-G410 VanDerWaalsContact O-N 3.08Å; G406-R411 CarbonylContact O-C 3.52Å; G406-R411 PolarHBondContact O-N 3.03Å
407V91.8Very high81.9Confident0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-64.1-50.9171.8173.80000110.2F356 I403 L404 R405 D409 G410 F415 L430 I431 R434F356-V407 HydrophobicContact CE1-CG1 4.07Å; F356-V407 HydrophobicContact CZ-CB 4.33Å; F356-V407 HydrophobicContact CZ-CG1 4.16Å; I403-V407 WeakPolarHBondContact O-CG2 3.2Å; I403-V407 PolarHBondContact O-N 2.9Å; L404-V407 PolarHBondContact O-N 3.08Å; R405-V407 VanDerWaalsContact C-N 3.29Å; R405-V407 PolarHBondContact O-N 3.06Å; V407-D409 VanDerWaalsContact C-N 3.34Å; V407-D409 PolarHBondContact O-N 3.47Å; V407-G410 PolarHBondContact O-N 2.9Å; V407-F415 HydrophobicContact CG2-CE1 4.07Å; V407-F415 HydrophobicContact CG2-CZ 3.66Å; V407-L430 HydrophobicContact CG1-CB 4.41Å; V407-L430 WeakPolarHBondContact CG1-O 3Å; V407-L430 HydrophobicContact CG2-CB 4.01Å; V407-I431 HydrophobicContact CG2-CG1 4.34Å; V407-R434 HydrophobicContact CG1-CB 4.21Å; V407-R434 HydrophobicContact CG1-CG 4.13Å; V407-R434 WeakPolarHBondContact O-CD 3.32Å; V407-R434 PolarHBondContact O-NE 3.15Å
408A90.2Very high82.3Confident0 Ų058.9 Ų58.90%029%0.288CS..Hα-helixtrans-58.8-43.8179.100000112.4V342 A344 Y354 F356 L404 R405 G410 R434V342-A408 HydrophobicContact CG2-CB 3.71Å; A344-A408 HydrophobicContact CB-CB 4.02Å; Y354-A408 HydrophobicContact CD1-CB 4.44Å; Y354-A408 HydrophobicContact CD2-CB 3.92Å; Y354-A408 HydrophobicContact CE2-CB 4.36Å; Y354-A408 HydrophobicContact CG-CB 3.98Å; F356-A408 HydrophobicContact CZ-CB 4.44Å; L404-A408 WeakPolarHBondContact O-CB 3.25Å; L404-A408 PolarHBondContact O-N 3.3Å; R405-A408 PolarHBondContact O-N 2.9Å; A408-G410 PolarHBondContact O-N 3.24Å; A408-R434 PolarHBondContact O-NH2 3.36Å
409D84.7Confident82.2Confident48 Ų4857 Ų5726%0.25729%0.287SS..Hα-helixtrans-69-16.2176.8-73.2-4.6000113.7P345 R405 V407 R411P345-D409 WeakPolarHBondContact CD-OD1 3.39Å; R405-D409 VanDerWaalsContact O-CB 3.25Å; R405-D409 WeakPolarHBondContact O-CB 3.43Å; R405-D409 VanDerWaalsContact O-CG 3.23Å; R405-D409 PolarHBondContact O-N 3.2Å; V407-D409 VanDerWaalsContact C-N 3.34Å; V407-D409 PolarHBondContact O-N 3.47Å; D409-R411 HydrophobicContact CB-CB 4.37Å; D409-R411 HydrophobicContact CB-CG 4.07Å; D409-R411 PolarHBondContact O-N 2.95Å
410G83.8Confident81.8Confident34 Ų3458.5 Ų58.535%0.35130%0.299SS..THydrogen-bonded Turntrans74.411.9-171.700000114.2G406 V407 A408 T412G406-G410 CarbonylContact O-C 3.59Å; G406-G410 PolarHBondContact O-N 3.18Å; G406-G410 VanDerWaalsContact O-N 3.08Å; V407-G410 PolarHBondContact O-N 2.9Å; A408-G410 PolarHBondContact O-N 3.24Å; G410-T412 PolarHBondContact O-N 3.21Å
411R80.4Confident81.6Confident169 Ų16957.1 Ų57.164%0.63829%0.292SS*.  trans-91.966.8177.2-64.4177.5-176.9171.81.4110.3G406 D409 D413G406-R411 CarbonylContact O-C 3.52Å; G406-R411 PolarHBondContact O-N 3.03Å; D409-R411 HydrophobicContact CB-CB 4.37Å; D409-R411 HydrophobicContact CB-CG 4.07Å; D409-R411 PolarHBondContact O-N 2.95Å; R411-D413 VanDerWaalsContact C-N 3.33Å
412T77.5Confident81.3Confident52 Ų5257.8 Ų57.832%0.31931%0.308SS..THydrogen-bonded Turntrans-83.8-6.9-171.857.30000114G410 F415 I431G410-T412 PolarHBondContact O-N 3.21Å; T412-F415 HydrophobicContact CG2-CZ 4.1Å; T412-F415 WeakPolarHBondContact O-CE2 3.49Å; T412-I431 HydrophobicContact CG2-CB 4.48Å; T412-I431 HydrophobicContact CG2-CG1 3.86Å; T412-I431 HydrophobicContact CG2-CG2 4.06Å
413D71.1Confident81.3Confident120 Ų12057.6 Ų57.664%0.64231%0.312SS*.THydrogen-bonded Turntrans-84.8-8.5179.865.5-42.6000113.7R411R411-D413 VanDerWaalsContact C-N 3.33Å
414R67Low81.1Confident196 Ų19662.8 Ų62.874%0.7434%0.336SS*.  trans-134.848.2-167.6-65.7177.5-169-155.5-1.7114.2G416R414-G416 VanDerWaalsContact C-N 3.27Å; R414-G416 PolarHBondContact O-N 3.07Å
415F77.3Confident80.9Confident16 Ų1667.9 Ų67.97%0.0736%0.359CS..  trans-75.6-13.3174.2-61.2-47.1000114.6R402 I403 V407 T412 L418 V427 I431R402-F415 PolarHBondContact NE-O 2.79Å; R402-F415 PolarHBondContact NH2-O 3.12Å; I403-F415 HydrophobicContact CB-CD1 4.39Å; I403-F415 HydrophobicContact CG1-CB 4.43Å; I403-F415 HydrophobicContact CG1-CD1 4.49Å; I403-F415 HydrophobicContact CG2-CD1 4.14Å; I403-F415 HydrophobicContact CG2-CE1 4.14Å; I403-F415 HydrophobicContact CG2-CG 4.38Å; I403-F415 HydrophobicContact CG2-CZ 4.37Å; I403-F415 WeakPolarHBondContact O-CE1 3.31Å; V407-F415 HydrophobicContact CG2-CE1 4.07Å; V407-F415 HydrophobicContact CG2-CZ 3.66Å; T412-F415 HydrophobicContact CG2-CZ 4.1Å; T412-F415 WeakPolarHBondContact O-CE2 3.49Å; F415-L418 HydrophobicContact CB-CD2 3.9Å; F415-V427 HydrophobicContact CD2-CG1 3.53Å; F415-V427 HydrophobicContact CE2-CG1 3.44Å; F415-V427 VanDerWaalsContact CE2-CG1 3.44Å; F415-V427 HydrophobicContact CG-CG1 4.46Å; F415-V427 HydrophobicContact CZ-CG1 4.3Å; F415-I431 HydrophobicContact CE2-CD1 3.6Å; F415-I431 HydrophobicContact CE2-CG1 3.95Å; F415-I431 HydrophobicContact CZ-CD1 4.22Å; F415-I431 HydrophobicContact CZ-CG1 4.07Å
416G73.3Confident80.8Confident51 Ų5164.8 Ų64.853%0.52635%0.348SS..  trans71.1-155.3-174.900000112.8R414 L418R414-G416 VanDerWaalsContact C-N 3.27Å; R414-G416 PolarHBondContact O-N 3.07Å; G416-L418 PolarHBondContact O-N 3.21Å
417D73.1Confident80.9Confident100 Ų10064.6 Ų64.654%0.53535%0.345SS..  trans-64.4129.3179-174.58.1000112.2T419D417-T419 VanDerWaalsContact CG-OG1 3.28Å; D417-T419 WeakPolarHBondContact OD1-CB 3.44Å; D417-T419 WeakPolarHBondContact OD1-CG2 3.35Å; D417-T419 PolarHBondContact OD1-N 3.04Å; D417-T419 PolarHBondContact OD1-OG1 3.18Å; D417-T419 PolarHBondContact OD2-OG1 2.76Å; D417-T419 VanDerWaalsContact OD2-OG1 3.11Å
418L81.9Confident80.7Confident43 Ų4369.5 Ų69.523%0.22537%0.368CS..  trans-109.3-5.3-178.8-60.8-176.8000113.1I403 F415 G416 S420 L421 V427I403-L418 HydrophobicContact CD1-CD2 3.62Å; I403-L418 HydrophobicContact CG1-CD2 4.25Å; F415-L418 HydrophobicContact CB-CD2 3.9Å; G416-L418 PolarHBondContact O-N 3.21Å; L418-S420 PolarHBondContact O-N 3.39Å; L418-L421 HydrophobicContact CB-CD1 4.17Å; L418-L421 HydrophobicContact CD2-CD1 4.07Å; L418-L421 VanDerWaalsContact O-CB 3.31Å; L418-L421 WeakPolarHBondContact O-CB 3.39Å; L418-L421 WeakPolarHBondContact O-CG 3.43Å; L418-L421 PolarHBondContact O-N 2.89Å; L418-V427 HydrophobicContact CD1-CG2 4.37Å; L418-V427 HydrophobicContact CD2-CG2 4.41Å
419T75.8Confident80.6Confident87 Ų8771.3 Ų71.353%0.53438%0.378SS..THydrogen-bonded Turntrans-63.4-16.2-171.758.10000114.8D417D417-T419 VanDerWaalsContact CG-OG1 3.28Å; D417-T419 WeakPolarHBondContact OD1-CB 3.44Å; D417-T419 WeakPolarHBondContact OD1-CG2 3.35Å; D417-T419 PolarHBondContact OD1-N 3.04Å; D417-T419 PolarHBondContact OD1-OG1 3.18Å; D417-T419 PolarHBondContact OD2-OG1 2.76Å; D417-T419 VanDerWaalsContact OD2-OG1 3.11Å
420S76.3Confident81Confident49 Ų4969.1 Ų69.134%0.34337%0.366SS..THydrogen-bonded Turntrans-81.7-12.7176.161.90000113.9T394 R395 L418T394-S420 VanDerWaalsContact CA-O 3.29Å; T394-S420 WeakPolarHBondContact CA-O 3.22Å; R395-S420 PolarHBondContact N-O 3.31Å; L418-S420 PolarHBondContact O-N 3.39Å
421L81.1Confident81.2Confident6 Ų669.4 Ų69.43%0.03136%0.359CS..BIsolated β-bridgetrans-67.1144.1178.2-70.8175.4000111.3P392 K393 M400 I403 L418 E423 E424 V427P392-L421 HydrophobicContact CB-CD2 3.88Å; K393-L421 CarbonylContact O-C 3.58Å; K393-L421 WeakPolarHBondContact O-CA 3.47Å; K393-L421 WeakPolarHBondContact O-CD2 3.48Å; M400-L421 HydrophobicContact CB-CD2 4.17Å; M400-L421 HydrophobicContact CG-CD2 3.69Å; I403-L421 HydrophobicContact CD1-CD1 3.77Å; I403-L421 HydrophobicContact CD1-CD2 4.03Å; I403-L421 HydrophobicContact CD1-CG 4.27Å; L418-L421 HydrophobicContact CB-CD1 4.17Å; L418-L421 HydrophobicContact CD2-CD1 4.07Å; L418-L421 VanDerWaalsContact O-CB 3.31Å; L418-L421 WeakPolarHBondContact O-CB 3.39Å; L418-L421 WeakPolarHBondContact O-CG 3.43Å; L418-L421 PolarHBondContact O-N 2.89Å; L421-E423 VanDerWaalsContact C-N 3.33Å; L421-E424 HydrophobicContact CB-CG 4.33Å; L421-V427 HydrophobicContact CD1-CG2 3.45Å; L421-V427 VanDerWaalsContact CD1-CG2 3.45Å
422A81.4Confident81.6Confident63 Ų6366.2 Ų66.252%0.52136%0.355SS..SBendtrans-67.6-38.217000000111.1K393K393-A422 PolarHBondContact O-N 2.97Å
423E83.5Confident82Confident97 Ų9768.3 Ų68.345%0.45336%0.364SS..  trans-139.1104-175.9-69.4173.9-165.100109.5L421 H425 V426L421-E423 VanDerWaalsContact C-N 3.33Å; E423-H425 IonicContact OE2-CE1 2.74Å; E423-H425 PolarHBondContact OE2-CE1 3.07Å; E423-H425 IonicContact OE2-NE2 3.31Å; E423-V426 HydrophobicContact CB-CG2 3.58Å; E423-V426 WeakPolarHBondContact O-CG2 3.4Å
424E84.6Confident82.6Confident110 Ų11065.5 Ų65.551%0.51434%0.344SS..SBendtrans-71.8-29.5-175.8-67.1-177.6-174.400113.2L421 V426 V427L421-E424 HydrophobicContact CB-CG 4.33Å; E424-V426 PolarHBondContact O-N 3.32Å; E424-V427 WeakPolarHBondContact O-CG2 3.38Å; E424-V427 PolarHBondContact O-N 3.1Å
425H86.8Confident83.2Confident106 Ų10661.1 Ų61.149%0.49133%0.332SS..Hα-helixtrans-60.6-30.1-177.668.1-85.7000113.2E423 V427 Q428 D429E423-H425 IonicContact OE2-CE1 2.74Å; E423-H425 PolarHBondContact OE2-CE1 3.07Å; E423-H425 IonicContact OE2-NE2 3.31Å; H425-V427 PolarHBondContact O-N 3.14Å; H425-V427 VanDerWaalsContact O-N 3.08Å; H425-Q428 WeakPolarHBondContact O-CB 3.14Å; H425-Q428 PolarHBondContact O-N 3.29Å; H425-D429 IonicContact CD2-OD2 3.35Å; H425-D429 PolarHBondContact O-N 2.78Å
426V87.8Confident82.7Confident3 Ų365.4 Ų65.42%0.01836%0.359CS..Hα-helixtrans-52.6-33.6178.1179.80000112.3S390 P392 E423 E424 Q428 D429 L430S390-V426 WeakPolarHBondContact O-CG1 3.39Å; S390-V426 WeakPolarHBondContact OG-CG1 3.44Å; S390-V426 WeakPolarHBondContact OG-CG2 3.4Å; P392-V426 HydrophobicContact CB-CG1 4.46Å; E423-V426 HydrophobicContact CB-CG2 3.58Å; E423-V426 WeakPolarHBondContact O-CG2 3.4Å; E424-V426 PolarHBondContact O-N 3.32Å; V426-Q428 VanDerWaalsContact C-N 3.33Å; V426-Q428 PolarHBondContact O-N 3.25Å; V426-D429 PolarHBondContact O-N 2.85Å; V426-L430 HydrophobicContact CG1-CD1 4.04Å; V426-L430 WeakPolarHBondContact O-CD1 3.34Å; V426-L430 VanDerWaalsContact O-CG 3.27Å; V426-L430 WeakPolarHBondContact O-CG 3.4Å; V426-L430 PolarHBondContact O-N 2.99Å; V426-L430 VanDerWaalsContact O-N 3.08Å
427V89.1Confident82Confident7 Ų765.6 Ų65.64%0.04235%0.346CS..Hα-helixtrans-64-41.3179-176.90000110.9I403 F415 L418 L421 E424 H425 L430 I431I403-V427 HydrophobicContact CD1-CG2 4.09Å; I403-V427 HydrophobicContact CG2-CG1 3.9Å; I403-V427 HydrophobicContact CG2-CG2 4.13Å; F415-V427 HydrophobicContact CD2-CG1 3.53Å; F415-V427 HydrophobicContact CE2-CG1 3.44Å; F415-V427 VanDerWaalsContact CE2-CG1 3.44Å; F415-V427 HydrophobicContact CG-CG1 4.46Å; F415-V427 HydrophobicContact CZ-CG1 4.3Å; L418-V427 HydrophobicContact CD1-CG2 4.37Å; L418-V427 HydrophobicContact CD2-CG2 4.41Å; L421-V427 HydrophobicContact CD1-CG2 3.45Å; L421-V427 VanDerWaalsContact CD1-CG2 3.45Å; E424-V427 WeakPolarHBondContact O-CG2 3.38Å; E424-V427 PolarHBondContact O-N 3.1Å; H425-V427 PolarHBondContact O-N 3.14Å; H425-V427 VanDerWaalsContact O-N 3.08Å; V427-L430 PolarHBondContact O-N 3.48Å; V427-I431 HydrophobicContact CG1-CD1 4.31Å; V427-I431 VanDerWaalsContact O-CG1 3.29Å; V427-I431 WeakPolarHBondContact O-CG1 3.4Å; V427-I431 PolarHBondContact O-N 3.08Å; V427-I431 VanDerWaalsContact O-N 3.11Å
428Q87.8Confident80.7Confident102 Ų10266.5 Ų66.548%0.47736%0.357SS..Hα-helixtrans-68.6-38179.6-170.36052.200111.4H425 V426 L430 I431 N432H425-Q428 WeakPolarHBondContact O-CB 3.14Å; H425-Q428 PolarHBondContact O-N 3.29Å; V426-Q428 VanDerWaalsContact C-N 3.33Å; V426-Q428 PolarHBondContact O-N 3.25Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 3Å; Q428-I431 PolarHBondContact O-N 3.43Å; Q428-N432 PolarHBondContact NE2-OD1 3.06Å; Q428-N432 WeakPolarHBondContact O-CB 3.42Å; Q428-N432 PolarHBondContact O-N 3.06Å; Q428-N432 PolarHBondContact O-ND2 2.79Å; Q428-N432 PolarHBondContact O-OD1 2.79Å
429D88.7Confident78.9Confident38 Ų3872.3 Ų72.320%0.20339%0.389CS..Hα-helixtrans-65.5-37.6177.3-61.9-34.6000111.9H425 V426 N432 N433H425-D429 IonicContact CD2-OD2 3.35Å; H425-D429 PolarHBondContact O-N 2.78Å; V426-D429 PolarHBondContact O-N 2.85Å; D429-N432 PolarHBondContact O-N 2.92Å; D429-N433 WeakPolarHBondContact O-CB 3.26Å; D429-N433 PolarHBondContact O-N 3.29Å; D429-N433 VanDerWaalsContact O-N 3.09Å; D429-N433 PolarHBondContact O-ND2 2.65Å
430L91.9Very high76.8Confident3 Ų381 Ų812%0.01642%0.419CS..Hα-helixtrans-65.4-38.2173.7-70.1163.6000112.3F356 Q386 A388 P392 L404 V407 V426 V427 Q428 R434F356-L430 HydrophobicContact CD1-CD2 3.73Å; F356-L430 HydrophobicContact CE1-CD2 4Å; Q386-L430 PolarHBondContact NE2-O 3.48Å; A388-L430 HydrophobicContact CB-CD2 3.61Å; P392-L430 HydrophobicContact CB-CD1 4.4Å; P392-L430 HydrophobicContact CG-CD1 3.89Å; L404-L430 HydrophobicContact CD2-CD1 3.87Å; L404-L430 HydrophobicContact CD2-CD2 4.2Å; V407-L430 HydrophobicContact CG1-CB 4.41Å; V407-L430 WeakPolarHBondContact CG1-O 3Å; V407-L430 HydrophobicContact CG2-CB 4.01Å; V426-L430 HydrophobicContact CG1-CD1 4.04Å; V426-L430 WeakPolarHBondContact O-CD1 3.34Å; V426-L430 VanDerWaalsContact O-CG 3.27Å; V426-L430 WeakPolarHBondContact O-CG 3.4Å; V426-L430 PolarHBondContact O-N 2.99Å; V426-L430 VanDerWaalsContact O-N 3.08Å; V427-L430 PolarHBondContact O-N 3.48Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 3Å; L430-R434 PolarHBondContact O-N 2.87Å
431I89.9Confident76.8Confident40 Ų4082.6 Ų82.621%0.20542%0.422CS..Hα-helixtrans-65.9-48.9175.3-65.6164000110.4V407 T412 F415 V427 Q428 N433 R434V407-I431 HydrophobicContact CG2-CG1 4.34Å; T412-I431 HydrophobicContact CG2-CB 4.48Å; T412-I431 HydrophobicContact CG2-CG1 3.86Å; T412-I431 HydrophobicContact CG2-CG2 4.06Å; F415-I431 HydrophobicContact CE2-CD1 3.6Å; F415-I431 HydrophobicContact CE2-CG1 3.95Å; F415-I431 HydrophobicContact CZ-CD1 4.22Å; F415-I431 HydrophobicContact CZ-CG1 4.07Å; V427-I431 HydrophobicContact CG1-CD1 4.31Å; V427-I431 VanDerWaalsContact O-CG1 3.29Å; V427-I431 WeakPolarHBondContact O-CG1 3.4Å; V427-I431 PolarHBondContact O-N 3.08Å; V427-I431 VanDerWaalsContact O-N 3.11Å; Q428-I431 PolarHBondContact O-N 3.43Å; I431-N433 VanDerWaalsContact C-N 3.27Å; I431-N433 PolarHBondContact O-N 2.98Å; I431-R434 VanDerWaalsContact O-CB 3.31Å; I431-R434 WeakPolarHBondContact O-CB 3.28Å; I431-R434 PolarHBondContact O-N 3.38Å
432N87.5Confident76.6Confident102 Ų10286.6 Ų86.655%0.54544%0.443SS..Hα-helixtrans-62.9-34.4-175.3-69.5-14.6000112.4Q428 D429Q428-N432 PolarHBondContact NE2-OD1 3.06Å; Q428-N432 WeakPolarHBondContact O-CB 3.42Å; Q428-N432 PolarHBondContact O-N 3.06Å; Q428-N432 PolarHBondContact O-ND2 2.79Å; Q428-N432 PolarHBondContact O-OD1 2.79Å; D429-N432 PolarHBondContact O-N 2.92Å
433N85.8Confident76.3Confident95 Ų9587.9 Ų87.951%0.50844%0.439SS..THydrogen-bonded Turntrans-97.814.2-178.3-64.1-61.7000113.5Q386 D429 I431 H435Q386-N433 PolarHBondContact NE2-O 3.43Å; D429-N433 WeakPolarHBondContact O-CB 3.26Å; D429-N433 PolarHBondContact O-N 3.29Å; D429-N433 VanDerWaalsContact O-N 3.09Å; D429-N433 PolarHBondContact O-ND2 2.65Å; I431-N433 VanDerWaalsContact C-N 3.27Å; I431-N433 PolarHBondContact O-N 2.98Å; N433-H435 PolarHBondContact O-N 3.3Å
434R84.4Confident75.9Confident62 Ų6287.4 Ų87.423%0.23444%0.438CS..PPolyproline II helixtrans-61.4132.3179.9-176.7-171.4176.4-100-1.9110.6V407 A408 L430 I431 T436V407-R434 HydrophobicContact CG1-CB 4.21Å; V407-R434 HydrophobicContact CG1-CG 4.13Å; V407-R434 WeakPolarHBondContact O-CD 3.32Å; V407-R434 PolarHBondContact O-NE 3.15Å; A408-R434 PolarHBondContact O-NH2 3.36Å; L430-R434 PolarHBondContact O-N 2.87Å; I431-R434 VanDerWaalsContact O-CB 3.31Å; I431-R434 WeakPolarHBondContact O-CB 3.28Å; I431-R434 PolarHBondContact O-N 3.38Å; R434-T436 PolarHBondContact O-N 2.7Å
435H79.1Confident75.4Confident104 Ų10485.9 Ų85.948%0.48143%0.433SS..PPolyproline II helixtrans-69.7119.7169.7-158.7-67.7000109.5Y354 V384 N433Y354-H435 WeakPolarHBondContact OH-CB 3.33Å; Y354-H435 PolarHBondContact OH-N 3.18Å; V384-H435 HydrophobicContact CG1-CB 3.68Å; N433-H435 PolarHBondContact O-N 3.3Å
436T66.7Low74.6Confident105 Ų10584.6 Ų84.664%0.64443%0.429SS*.PPolyproline II helixtrans-78.4122.6169.240.60000108.7R434R434-T436 PolarHBondContact O-N 2.7Å
437F59.5Low73.7Confident56 Ų5690.4 Ų90.425%0.24646%0.459CS..PPolyproline II helixtrans-71.6137.7162-61.3-78000106.9A344 I352 Y354 V384 D439A344-F437 HydrophobicContact CB-CE2 4.42Å; A344-F437 HydrophobicContact CB-CZ 4.4Å; I352-F437 HydrophobicContact CD1-CE1 3.6Å; I352-F437 HydrophobicContact CD1-CZ 3.65Å; Y354-F437 HydrophobicContact CD2-CE2 4.33Å; Y354-F437 HydrophobicContact CD2-CZ 4.03Å; Y354-F437 HydrophobicContact CE2-CE2 4.14Å; Y354-F437 HydrophobicContact CE2-CZ 4.06Å; V384-F437 HydrophobicContact CG2-CE1 3.49Å; V384-F437 VanDerWaalsContact CG2-CE1 3.49Å; V384-F437 HydrophobicContact CG2-CZ 3.48Å; V384-F437 VanDerWaalsContact CG2-CZ 3.48Å; F437-D439 PolarHBondContact O-N 3.15Å
438P46Very low72.5Confident118 Ų11896.8 Ų96.877%0.76649%0.491SS*.PPolyproline II helixtrans-57.7118.5172.921-28.9000108.7K440P438-K440 PolarHBondContact O-N 3.14Å
439D42.2Very low71.2Confident166 Ų16696.4 Ų96.489%0.88849%0.492SS*.PPolyproline II helixtrans-55.2128.1167.3-71-34.8000107.4F437F437-D439 PolarHBondContact O-N 3.15Å
440K32.8Very low69.6Low268 Ų268101.7 Ų101.7100%1.16552%0.518SS*.  trans-91.10165.2-84.9-167.9176.9-176.90109.7P438P438-K440 PolarHBondContact O-N 3.14Å

Retrieved 440 of 440 residues in 107.4 ms (Link to these results)

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