A0A087YH77_POEFO Loading...

Regulator of telomere elongation helicase 1

A probable ATP-dependent DNA helicase implicated in telomere-length regulation, DNA repair and the maintenance of genomic stability. Acts as an anti-recombinase to counteract toxic recombination and limit crossover during meiosis. Regulates meiotic recombination and crossover homeostasis by physically dissociating strand invasion events and thereby promotes noncrossover repair by meiotic synthesis dependent strand annealing (SDSA) as well as disassembly of D loop recombination intermediates. Also disassembles T loops and prevents telomere fragility by counteracting telomeric G4-DNA structures, which together ensure the dynamics and stability of the telomere.

AlphaFold DB , UniProt , Accession A0A087YH77, Species POEFO (Poecilia formosa, Amazon molly), Gene RTEL1, Length 1,180 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
1M60.5Low86.6Confident119 Ų11956.3 Ų56.359%0.58632%0.323SS*.  0150.50-72.9178.6176.300107.7F13 P14M1-F13 WeakPolarHBondContact CB-O 3.28Å; M1-P14 HydrophobicContact CE-CB 3.99Å; M1-P14 HydrophobicContact CE-CG 4.11Å; M1-P14 HydrophobicContact SD-CB 4.22Å; M1-P14 HydrophobicContact SD-CG 4.13Å
2P78.8Confident87.1Confident42 Ų4256.3 Ų56.327%0.27332%0.321SS..  trans-60143.5168.225.2-33.4000110.7F13 F15P2-F13 WeakPolarHBondContact CD-O 3.28Å; P2-F13 VanDerWaalsContact CG-O 3.31Å; P2-F13 WeakPolarHBondContact CG-O 3.25Å; P2-F13 PolarHBondContact O-N 3.19Å; P2-F13 VanDerWaalsContact O-N 3.08Å; P2-F15 WeakPolarHBondContact CG-O 3.37Å
3S83.2Confident87.5Confident71 Ų7152 Ų5250%0.49730%0.297SS..EExtended strand (participates in β ladder)trans-111.5134.2177.21790000108.8T10S3-T10 WeakPolarHBondContact OG-CG2 3.32Å
4L89.7Confident87.5Confident30 Ų3049.4 Ų49.416%0.15728%0.283CS..EExtended strand (participates in β ladder)trans-126.8115.1-170-56.6161.9000108.8L6 V11 F13 P17 M25L4-L6 HydrophobicContact CB-CG 4.3Å; L4-L6 PolarHBondContact O-N 3.1Å; L4-V11 HydrophobicContact CB-CB 4.42Å; L4-V11 PolarHBondContact N-O 3.09Å; L4-V11 PolarHBondContact O-N 3.02Å; L4-F13 HydrophobicContact CD1-CB 3.65Å; L4-F13 HydrophobicContact CD1-CG 4.33Å; L4-P17 HydrophobicContact CD1-CB 4.35Å; L4-P17 HydrophobicContact CD1-CG 3.64Å; L4-P17 HydrophobicContact CD2-CG 3.74Å; L4-P17 HydrophobicContact CG-CG 4.34Å; L4-M25 HydrophobicContact CD1-CE 3.96Å
5N90.9Very high87.4Confident117 Ų11753 Ų5363%0.62629%0.294SS*.EExtended strand (participates in β ladder)trans-82.2110.6170.2-169.4-23.2000109.2G8N5-G8 VanDerWaalsContact OD1-CA 3.28Å; N5-G8 WeakPolarHBondContact OD1-CA 3.31Å; N5-G8 PolarHBondContact OD1-N 3.21Å
6L91.3Very high87.4Confident27 Ų2756.9 Ų56.914%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-124.9122179.1-64.3178000108.8L4 G8 V9 V11 K22 M25 L29L4-L6 HydrophobicContact CB-CG 4.3Å; L4-L6 PolarHBondContact O-N 3.1Å; L6-G8 PolarHBondContact O-N 3.24Å; L6-G8 VanDerWaalsContact O-N 3.09Å; L6-V9 PolarHBondContact N-O 2.92Å; L6-V9 PolarHBondContact O-N 2.88Å; L6-V11 HydrophobicContact CD1-CG2 4.45Å; L6-K22 HydrophobicContact CD2-CB 4.47Å; L6-M25 HydrophobicContact CD1-CB 3.74Å; L6-M25 HydrophobicContact CD1-CE 4.15Å; L6-M25 HydrophobicContact CD1-SD 4.48Å; L6-L29 HydrophobicContact CB-CD1 3.6Å; L6-L29 WeakPolarHBondContact O-CD1 3.46Å
7R91.3Very high87.5Confident94 Ų9454.1 Ų54.136%0.35531%0.305SS..THydrogen-bonded Turntrans48.435.5-177.1-64.3-176.655.1120.6-0.8113.9V9 S26 Q33 E34R7-V9 VanDerWaalsContact C-N 3.31Å; R7-V9 PolarHBondContact O-N 3.49Å; R7-S26 VanDerWaalsContact CD-O 3.24Å; R7-S26 WeakPolarHBondContact CD-O 3.43Å; R7-Q33 VanDerWaalsContact CZ-OE1 3.31Å; R7-Q33 PolarHBondContact O-NE2 3.1Å; R7-E34 IonicContact CZ-OE1 3.51Å; R7-E34 IonicContact NH1-OE1 2.77Å; R7-E34 PolarHBondContact NH1-OE1 3.41Å; R7-E34 IonicContact NH2-OE1 2.68Å; R7-E34 PolarHBondContact NH2-OE1 3.34Å
8G87.5Confident87.6Confident46 Ų4656.1 Ų56.147%0.47431%0.307SS..THydrogen-bonded Turntrans81.6-0.5-178.400000115.3N5 L6N5-G8 VanDerWaalsContact OD1-CA 3.28Å; N5-G8 WeakPolarHBondContact OD1-CA 3.31Å; N5-G8 PolarHBondContact OD1-N 3.21Å; L6-G8 PolarHBondContact O-N 3.24Å; L6-G8 VanDerWaalsContact O-N 3.09Å
9V92.2Very high87.7Confident0 Ų059.4 Ų59.40%032%0.32CS..EExtended strand (participates in β ladder)trans-102.8129.2177.1178.40000109.7L6 R7 V11 L29 A58 H62L6-V9 PolarHBondContact N-O 2.92Å; L6-V9 PolarHBondContact O-N 2.88Å; R7-V9 VanDerWaalsContact C-N 3.31Å; R7-V9 PolarHBondContact O-N 3.49Å; V9-V11 HydrophobicContact CG1-CG2 4.32Å; V9-V11 PolarHBondContact O-N 3.03Å; V9-L29 HydrophobicContact CB-CD1 4.26Å; V9-L29 HydrophobicContact CB-CD2 4.12Å; V9-L29 HydrophobicContact CG1-CD2 4.09Å; V9-L29 HydrophobicContact CG2-CD2 4.2Å; V9-A58 HydrophobicContact CG1-CB 3.91Å; V9-H62 HydrophobicContact CG1-CB 4.27Å
10T93.4Very high87.7Confident73 Ų7357.3 Ų57.345%0.44831%0.31SS..EExtended strand (participates in β ladder)trans-82.799.3177.3-55.70000110.4S3S3-T10 WeakPolarHBondContact OG-CG2 3.32Å
11V94Very high88Confident0 Ų055.3 Ų55.30%030%0.299CS..EExtended strand (participates in β ladder)trans-91.9111.6178.3-1720000110.1L4 L6 V9 M25 L29 C54 A58L4-V11 HydrophobicContact CB-CB 4.42Å; L4-V11 PolarHBondContact N-O 3.09Å; L4-V11 PolarHBondContact O-N 3.02Å; L6-V11 HydrophobicContact CD1-CG2 4.45Å; V9-V11 HydrophobicContact CG1-CG2 4.32Å; V9-V11 PolarHBondContact O-N 3.03Å; V11-M25 HydrophobicContact CG1-SD 4.06Å; V11-L29 HydrophobicContact CG2-CD1 4.16Å; V11-C54 HydrophobicContact CG1-CB 3.97Å; V11-A58 HydrophobicContact CB-CB 4.23Å; V11-A58 HydrophobicContact CG1-CB 4.27Å; V11-A58 HydrophobicContact CG2-CB 3.95Å
12N92.6Very high89.5Confident56 Ų5652.6 Ų52.630%0.29928%0.284SS..EExtended strand (participates in β ladder)trans-72124162.3-65.4-63000108.7Y131N12-Y131 WeakPolarHBondContact CA-OH 3.31Å; N12-Y131 WeakPolarHBondContact CB-OH 3.46Å; N12-Y131 PolarHBondContact N-OH 3.27Å; N12-Y131 WeakPolarHBondContact O-CE2 3.46Å; N12-Y131 PolarHBondContact O-OH 2.93Å
13F91.9Very high90.2Very high1 Ų154.8 Ų54.80%0.00429%0.293CS..  trans-125.5135.7178.9-163.9-121000109.8M1 P2 L4 F15 P17 M25 L50 C54M1-F13 WeakPolarHBondContact CB-O 3.28Å; P2-F13 WeakPolarHBondContact CD-O 3.28Å; P2-F13 VanDerWaalsContact CG-O 3.31Å; P2-F13 WeakPolarHBondContact CG-O 3.25Å; P2-F13 PolarHBondContact O-N 3.19Å; P2-F13 VanDerWaalsContact O-N 3.08Å; L4-F13 HydrophobicContact CD1-CB 3.65Å; L4-F13 HydrophobicContact CD1-CG 4.33Å; F13-F15 VanDerWaalsContact CD1-O 3.26Å; F13-F15 WeakPolarHBondContact CD1-O 3.07Å; F13-F15 PolarHBondContact O-N 2.76Å; F13-F15 VanDerWaalsContact O-N 3.13Å; F13-P17 HydrophobicContact CD1-CB 3.9Å; F13-P17 HydrophobicContact CE1-CB 3.98Å; F13-M25 HydrophobicContact CD2-CE 4.46Å; F13-M25 HydrophobicContact CD2-SD 4.07Å; F13-M25 HydrophobicContact CE2-SD 4.25Å; F13-M25 HydrophobicContact CG-CE 4.48Å; F13-L50 HydrophobicContact CE2-CB 4.29Å; F13-L50 HydrophobicContact CE2-CD2 3.9Å; F13-L50 HydrophobicContact CE2-CG 3.76Å; F13-L50 HydrophobicContact CZ-CD2 3.87Å; F13-L50 HydrophobicContact CZ-CG 4.18Å; F13-C54 HydrophobicContact CD2-CB 3.84Å; F13-C54 HydrophobicContact CE2-CB 4.33Å
14P88Confident90.8Very high15 Ų1551.5 Ų51.510%0.09727%0.27CS..SBendtrans-60.3-29.2-171.6-2937.8000115.3M1 L50 T129M1-P14 HydrophobicContact CE-CB 3.99Å; M1-P14 HydrophobicContact CE-CG 4.11Å; M1-P14 HydrophobicContact SD-CB 4.22Å; M1-P14 HydrophobicContact SD-CG 4.13Å; P14-L50 HydrophobicContact CG-CD1 4.25Å; P14-L50 HydrophobicContact CG-CD2 4.21Å; P14-T129 HydrophobicContact CG-CG2 4.35Å
15F86.2Confident91.1Very high104 Ų10450 Ų5046%0.45626%0.263SS..SBendtrans-125.3172.3-174.2-45.9-65.2000110.9P2 F13 P17 L50 L804P2-F15 WeakPolarHBondContact CG-O 3.37Å; F13-F15 VanDerWaalsContact CD1-O 3.26Å; F13-F15 WeakPolarHBondContact CD1-O 3.07Å; F13-F15 PolarHBondContact O-N 2.76Å; F13-F15 VanDerWaalsContact O-N 3.13Å; F15-P17 WeakPolarHBondContact O-CD 3.34Å; F15-L50 HydrophobicContact CD2-CD2 3.89Å; F15-L50 HydrophobicContact CE2-CD2 3.71Å; F15-L804 HydrophobicContact CD1-CD1 4.01Å; F15-L804 HydrophobicContact CE1-CD1 3.67Å; F15-L804 HydrophobicContact CZ-CD1 4.39Å
16T87.2Confident91.3Very high115 Ų11546.2 Ų46.271%0.70625%0.245SC*.PPolyproline II helixtrans-71.5122.3167.1-52.70000108.4
17P88.5Confident91.5Very high9 Ų948 Ų486%0.05825%0.251CS..PPolyproline II helixtrans-76.5148.5-17633.7-39.4000112.3L4 F13 F15 Q21 K22 M25L4-P17 HydrophobicContact CD1-CB 4.35Å; L4-P17 HydrophobicContact CD1-CG 3.64Å; L4-P17 HydrophobicContact CD2-CG 3.74Å; L4-P17 HydrophobicContact CG-CG 4.34Å; F13-P17 HydrophobicContact CD1-CB 3.9Å; F13-P17 HydrophobicContact CE1-CB 3.98Å; F15-P17 WeakPolarHBondContact O-CD 3.34Å; P17-Q21 VanDerWaalsContact CA-OE1 3.25Å; P17-Q21 HydrophobicContact CB-CB 4.12Å; P17-K22 HydrophobicContact CB-CG 4.16Å; P17-K22 HydrophobicContact CG-CD 4.49Å; P17-K22 HydrophobicContact CG-CG 3.94Å; P17-M25 HydrophobicContact CB-CE 4.05Å
18Y89.4Confident91.8Very high91 Ų9143.5 Ų43.536%0.35723%0.234SC..PPolyproline II helixtrans-72.4157.5164.2-47.7-56000110.8C20 Q21 K22 V506 K703Y18-C20 VanDerWaalsContact C-N 3.31Å; Y18-C20 PolarHBondContact O-N 3.35Å; Y18-Q21 VanDerWaalsContact CD2-CD 3.44Å; Y18-Q21 HydrophobicContact CD2-CG 4Å; Y18-Q21 WeakPolarHBondContact O-CA 3.5Å; Y18-Q21 VanDerWaalsContact O-CB 3.31Å; Y18-Q21 WeakPolarHBondContact O-CB 3.16Å; Y18-Q21 PolarHBondContact O-N 3.23Å; Y18-K22 PolarHBondContact O-N 3.09Å; Y18-K22 VanDerWaalsContact O-N 3.09Å; Y18-V506 HydrophobicContact CD1-CG1 4.01Å; Y18-V506 HydrophobicContact CD2-CB 4.41Å; Y18-V506 HydrophobicContact CD2-CG1 3.73Å; Y18-V506 HydrophobicContact CD2-CG2 3.64Å; Y18-V506 HydrophobicContact CE1-CG1 4.06Å; Y18-V506 HydrophobicContact CE2-CG1 3.8Å; Y18-V506 HydrophobicContact CE2-CG2 4.19Å; Y18-V506 HydrophobicContact CG-CG1 3.86Å; Y18-V506 HydrophobicContact CG-CG2 4.14Å; Y18-K703 HydrophobicContact CE1-CD 3.94Å
19E89.1Confident92.2Very high118 Ų11841.3 Ų41.355%0.55121%0.212SC*.Hα-helixtrans-56.6-44.7178.4-55-46.1122.900112Q21 K22 D23E19-Q21 PolarHBondContact O-N 3.35Å; E19-Q21 VanDerWaalsContact O-N 3.11Å; E19-K22 WeakPolarHBondContact O-CA 3.09Å; E19-K22 WeakPolarHBondContact O-CB 3.43Å; E19-K22 PolarHBondContact O-N 3.35Å; E19-K22 WeakPolarHBondContact OE1-CE 3.43Å; E19-K22 IonicContact OE1-NZ 2.65Å; E19-K22 PolarHBondContact OE1-NZ 2.84Å; E19-K22 WeakPolarHBondContact OE2-CD 3.47Å; E19-K22 WeakPolarHBondContact OE2-CE 3.49Å; E19-K22 IonicContact OE2-NZ 2.7Å; E19-K22 PolarHBondContact OE2-NZ 3.47Å; E19-D23 PolarHBondContact O-N 3.07Å
20C89.3Confident92.4Very high18 Ų1842.8 Ų42.812%0.12222%0.219CC..Hα-helixtrans-60.2-24.4175.572.10000113.4Y18 Y24 N503 V506Y18-C20 VanDerWaalsContact C-N 3.31Å; Y18-C20 PolarHBondContact O-N 3.35Å; C20-Y24 WeakPolarHBondContact O-CB 3.47Å; C20-Y24 PolarHBondContact O-N 3.34Å; C20-Y24 VanDerWaalsContact O-N 3.15Å; C20-N503 WeakPolarHBondContact CB-OD1 3.44Å; C20-N503 PolarHBondContact O-ND2 3.14Å; C20-V506 WeakPolarHBondContact SG-CG2 3.33Å
21Q92.3Very high92.6Very high15 Ų1539.3 Ų39.37%0.0720%0.197CC..Hα-helixtrans-78.6-37.6172.9-67.5179.2-35.500111.3P17 Y18 E19 Y24 M25 T46P17-Q21 VanDerWaalsContact CA-OE1 3.25Å; P17-Q21 HydrophobicContact CB-CB 4.12Å; Y18-Q21 VanDerWaalsContact CD2-CD 3.44Å; Y18-Q21 HydrophobicContact CD2-CG 4Å; Y18-Q21 WeakPolarHBondContact O-CA 3.5Å; Y18-Q21 VanDerWaalsContact O-CB 3.31Å; Y18-Q21 WeakPolarHBondContact O-CB 3.16Å; Y18-Q21 PolarHBondContact O-N 3.23Å; E19-Q21 PolarHBondContact O-N 3.35Å; E19-Q21 VanDerWaalsContact O-N 3.11Å; Q21-Y24 PolarHBondContact O-N 3.48Å; Q21-M25 HydrophobicContact CB-CE 4.42Å; Q21-M25 WeakPolarHBondContact O-CB 3.31Å; Q21-M25 WeakPolarHBondContact O-CE 3.4Å; Q21-M25 VanDerWaalsContact O-CG 3.29Å; Q21-M25 WeakPolarHBondContact O-CG 3.42Å; Q21-M25 PolarHBondContact O-N 3.31Å; Q21-T46 WeakPolarHBondContact CG-O 3.26Å; Q21-T46 PolarHBondContact NE2-O 3Å
22K93.3Very high92.6Very high62 Ų6239.3 Ų39.327%0.2720%0.197SC..Hα-helixtrans-62.9-43.7172.3-56.8177.7-161.2163.50110.9L6 P17 Y18 E19 M25 S26L6-K22 HydrophobicContact CD2-CB 4.47Å; P17-K22 HydrophobicContact CB-CG 4.16Å; P17-K22 HydrophobicContact CG-CD 4.49Å; P17-K22 HydrophobicContact CG-CG 3.94Å; Y18-K22 PolarHBondContact O-N 3.09Å; Y18-K22 VanDerWaalsContact O-N 3.09Å; E19-K22 WeakPolarHBondContact O-CA 3.09Å; E19-K22 WeakPolarHBondContact O-CB 3.43Å; E19-K22 PolarHBondContact O-N 3.35Å; E19-K22 WeakPolarHBondContact OE1-CE 3.43Å; E19-K22 IonicContact OE1-NZ 2.65Å; E19-K22 PolarHBondContact OE1-NZ 2.84Å; E19-K22 WeakPolarHBondContact OE2-CD 3.47Å; E19-K22 WeakPolarHBondContact OE2-CE 3.49Å; E19-K22 IonicContact OE2-NZ 2.7Å; E19-K22 PolarHBondContact OE2-NZ 3.47Å; K22-M25 PolarHBondContact O-N 3.48Å; K22-S26 WeakPolarHBondContact O-CB 3.4Å; K22-S26 PolarHBondContact O-N 3.24Å
23D93.3Very high92.7Very high88 Ų8839.6 Ų39.647%0.47120%0.197SC..Hα-helixtrans-60.5-47.4175.9-69.7-37.6000111.5E19 S26 K27E19-D23 PolarHBondContact O-N 3.07Å; D23-S26 PolarHBondContact O-N 3.23Å; D23-K27 WeakPolarHBondContact O-CG 3.36Å; D23-K27 PolarHBondContact O-N 2.79Å
24Y94.9Very high92.8Very high2 Ų244.2 Ų44.21%0.00822%0.218CC..Hα-helixtrans-60.7-48.5176.3-174-84000112C20 Q21 S26 K27 V28 L40 K48 C51 L52 T479 L501C20-Y24 WeakPolarHBondContact O-CB 3.47Å; C20-Y24 PolarHBondContact O-N 3.34Å; C20-Y24 VanDerWaalsContact O-N 3.15Å; Q21-Y24 PolarHBondContact O-N 3.48Å; Y24-S26 PolarHBondContact O-N 3.29Å; Y24-K27 PolarHBondContact O-N 2.89Å; Y24-V28 HydrophobicContact CD1-CG2 4.07Å; Y24-V28 HydrophobicContact CE1-CG2 3.76Å; Y24-V28 WeakPolarHBondContact O-CG2 3.38Å; Y24-V28 PolarHBondContact O-N 2.94Å; Y24-L40 HydrophobicContact CD2-CB 4.28Å; Y24-L40 HydrophobicContact CE2-CB 3.71Å; Y24-L40 HydrophobicContact CE2-CD1 4.11Å; Y24-K48 HydrophobicContact CE2-CG 4.39Å; Y24-C51 HydrophobicContact CD1-CB 3.66Å; Y24-C51 HydrophobicContact CE1-CB 4.06Å; Y24-L52 HydrophobicContact CE1-CB 4.04Å; Y24-L52 HydrophobicContact CE1-CD1 4.37Å; Y24-T479 WeakPolarHBondContact OH-CB 3.4Å; Y24-T479 WeakPolarHBondContact OH-CG2 3.4Å; Y24-T479 PolarHBondContact OH-OG1 3Å; Y24-L501 HydrophobicContact CD2-CD2 3.89Å; Y24-L501 HydrophobicContact CG-CD2 4.39Å
25M95.8Very high93.1Very high0 Ų050.2 Ų50.20%024%0.243CC..Hα-helixtrans-61.8-42.4176-72.1-171.8-75.600111.8L4 L6 V11 F13 P17 Q21 K22 K27 V28 L29 C51 A55L4-M25 HydrophobicContact CD1-CE 3.96Å; L6-M25 HydrophobicContact CD1-CB 3.74Å; L6-M25 HydrophobicContact CD1-CE 4.15Å; L6-M25 HydrophobicContact CD1-SD 4.48Å; V11-M25 HydrophobicContact CG1-SD 4.06Å; F13-M25 HydrophobicContact CD2-CE 4.46Å; F13-M25 HydrophobicContact CD2-SD 4.07Å; F13-M25 HydrophobicContact CE2-SD 4.25Å; F13-M25 HydrophobicContact CG-CE 4.48Å; P17-M25 HydrophobicContact CB-CE 4.05Å; Q21-M25 HydrophobicContact CB-CE 4.42Å; Q21-M25 WeakPolarHBondContact O-CB 3.31Å; Q21-M25 WeakPolarHBondContact O-CE 3.4Å; Q21-M25 VanDerWaalsContact O-CG 3.29Å; Q21-M25 WeakPolarHBondContact O-CG 3.42Å; Q21-M25 PolarHBondContact O-N 3.31Å; K22-M25 PolarHBondContact O-N 3.48Å; M25-K27 VanDerWaalsContact C-N 3.29Å; M25-K27 PolarHBondContact O-N 2.72Å; M25-V28 PolarHBondContact O-N 2.88Å; M25-L29 WeakPolarHBondContact O-CB 3.38Å; M25-L29 VanDerWaalsContact O-CG 3.25Å; M25-L29 WeakPolarHBondContact O-CG 3.4Å; M25-L29 PolarHBondContact O-N 2.95Å; M25-C51 HydrophobicContact CG-CB 3.78Å; M25-C51 HydrophobicContact SD-CB 4.44Å; M25-A55 HydrophobicContact CB-CB 4.02Å; M25-A55 HydrophobicContact CG-CB 4Å
26S96.1Very high93.5Very high36 Ų3646 Ų4625%0.25223%0.227SC..Hα-helixtrans-59.7-37.7175.4-173.40000112.1R7 K22 D23 Y24 Q30R7-S26 VanDerWaalsContact CD-O 3.24Å; R7-S26 WeakPolarHBondContact CD-O 3.43Å; K22-S26 WeakPolarHBondContact O-CB 3.4Å; K22-S26 PolarHBondContact O-N 3.24Å; D23-S26 PolarHBondContact O-N 3.23Å; Y24-S26 PolarHBondContact O-N 3.29Å; S26-Q30 WeakPolarHBondContact O-CB 3.5Å; S26-Q30 PolarHBondContact O-N 3.37Å
27K96.2Very high93.8Very high64 Ų6441.8 Ų41.828%0.27820%0.2SC..Hα-helixtrans-74.5-34.8175.6-71.6-75.8166.3-1700113.6D23 Y24 M25 Q30 C31 L40 V499 L501D23-K27 WeakPolarHBondContact O-CG 3.36Å; D23-K27 PolarHBondContact O-N 2.79Å; Y24-K27 PolarHBondContact O-N 2.89Å; M25-K27 VanDerWaalsContact C-N 3.29Å; M25-K27 PolarHBondContact O-N 2.72Å; K27-Q30 WeakPolarHBondContact O-CB 3.46Å; K27-Q30 PolarHBondContact O-N 3.24Å; K27-C31 PolarHBondContact O-N 2.92Å; K27-C31 PolarHBondContact O-SG 2.82Å; K27-C31 VanDerWaalsContact O-SG 3.34Å; K27-L40 HydrophobicContact CB-CD2 3.77Å; K27-V499 HydrophobicContact CB-CG1 4.3Å; K27-V499 HydrophobicContact CD-CG1 3.61Å; K27-L501 HydrophobicContact CB-CD2 4.3Å; K27-L501 HydrophobicContact CG-CB 4.34Å; K27-L501 HydrophobicContact CG-CD2 4.23Å
28V96.8Very high94.2Very high0 Ų041.4 Ų41.40%020%0.197CC..Hα-helixtrans-62.1-48.7169171.70000110.3Y24 M25 Q30 C31 L32 L40 L52 A55 I477Y24-V28 HydrophobicContact CD1-CG2 4.07Å; Y24-V28 HydrophobicContact CE1-CG2 3.76Å; Y24-V28 WeakPolarHBondContact O-CG2 3.38Å; Y24-V28 PolarHBondContact O-N 2.94Å; M25-V28 PolarHBondContact O-N 2.88Å; V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3.21Å; V28-C31 PolarHBondContact O-N 3.08Å; V28-L32 HydrophobicContact CG1-CD1 3.8Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.26Å; V28-L32 PolarHBondContact O-N 2.9Å; V28-L40 HydrophobicContact CG2-CD1 3.54Å; V28-L52 HydrophobicContact CG1-CD1 4.18Å; V28-L52 HydrophobicContact CG2-CD1 3.65Å; V28-A55 HydrophobicContact CB-CB 4.01Å; V28-A55 HydrophobicContact CG1-CB 3.77Å; V28-I477 HydrophobicContact CG1-CD1 4.4Å
29L96.5Very high94.4Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-60-36.5176.3-68173.1000112.2L6 V9 V11 M25 L32 Q33 A55 W59L6-L29 HydrophobicContact CB-CD1 3.6Å; L6-L29 WeakPolarHBondContact O-CD1 3.46Å; V9-L29 HydrophobicContact CB-CD1 4.26Å; V9-L29 HydrophobicContact CB-CD2 4.12Å; V9-L29 HydrophobicContact CG1-CD2 4.09Å; V9-L29 HydrophobicContact CG2-CD2 4.2Å; V11-L29 HydrophobicContact CG2-CD1 4.16Å; M25-L29 WeakPolarHBondContact O-CB 3.38Å; M25-L29 VanDerWaalsContact O-CG 3.25Å; M25-L29 WeakPolarHBondContact O-CG 3.4Å; M25-L29 PolarHBondContact O-N 2.95Å; L29-L32 PolarHBondContact O-N 2.96Å; L29-Q33 WeakPolarHBondContact O-CB 3.5Å; L29-Q33 VanDerWaalsContact O-CG 3.24Å; L29-Q33 WeakPolarHBondContact O-CG 3.5Å; L29-Q33 PolarHBondContact O-N 3.46Å; L29-A55 HydrophobicContact CD2-CB 4.37Å; L29-A55 WeakPolarHBondContact CD2-O 3.43Å; L29-A55 HydrophobicContact CG-CB 4.26Å; L29-W59 HydrophobicContact CD2-CB 3.73Å
30Q96.4Very high94.6Very high31 Ų3131.4 Ų31.415%0.14515%0.154CC..Hα-helixtrans-55.7-55.6173-176.5167.37.500111.5S26 K27 V28 L32 Q33 E34 V499S26-Q30 WeakPolarHBondContact O-CB 3.5Å; S26-Q30 PolarHBondContact O-N 3.37Å; K27-Q30 WeakPolarHBondContact O-CB 3.46Å; K27-Q30 PolarHBondContact O-N 3.24Å; V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3.21Å; Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 2.89Å; Q30-Q33 PolarHBondContact O-N 3.35Å; Q30-E34 VanDerWaalsContact CG-CD 3.45Å; Q30-E34 HydrophobicContact CG-CG 4.45Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.35Å; Q30-E34 VanDerWaalsContact CG-OE2 3.24Å; Q30-E34 WeakPolarHBondContact CG-OE2 3.23Å; Q30-E34 PolarHBondContact NE2-OE1 2.9Å; Q30-E34 PolarHBondContact NE2-OE2 3.36Å; Q30-E34 WeakPolarHBondContact O-CB 3.34Å; Q30-E34 PolarHBondContact O-N 3.31Å; Q30-V499 HydrophobicContact CB-CG1 4.48Å; Q30-V499 HydrophobicContact CG-CG1 4.43Å; Q30-V499 HydrophobicContact CG-CG2 3.82Å
31C96.2Very high94.7Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-54.1-44.8179.8-62.80000112.8K27 V28 K35 S36 I477K27-C31 PolarHBondContact O-N 2.92Å; K27-C31 PolarHBondContact O-SG 2.82Å; K27-C31 VanDerWaalsContact O-SG 3.34Å; V28-C31 PolarHBondContact O-N 3.08Å; C31-K35 PolarHBondContact O-N 3.38Å; C31-S36 WeakPolarHBondContact CA-O 3.45Å; C31-S36 VanDerWaalsContact CB-O 3.26Å; C31-S36 WeakPolarHBondContact CB-O 3.19Å; C31-S36 PolarHBondContact O-N 3.4Å; C31-I477 HydrophobicContact CB-CD1 3.76Å; C31-I477 HydrophobicContact CB-CG1 3.92Å
32L95.4Very high94.5Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-71.3-39.6-175.5-62.5168.4000112.6V28 L29 Q30 T56 W59 V246 R474 I477V28-L32 HydrophobicContact CG1-CD1 3.8Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.26Å; V28-L32 PolarHBondContact O-N 2.9Å; L29-L32 PolarHBondContact O-N 2.96Å; Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 2.89Å; L32-T56 HydrophobicContact CD1-CG2 3.99Å; L32-T56 HydrophobicContact CD2-CG2 4.21Å; L32-W59 HydrophobicContact CB-CD2 3.62Å; L32-W59 HydrophobicContact CB-CE3 4.12Å; L32-W59 HydrophobicContact CB-CG 3.82Å; L32-W59 HydrophobicContact CB-CZ2 4.26Å; L32-W59 HydrophobicContact CD1-CB 3.91Å; L32-W59 HydrophobicContact CD1-CD2 3.96Å; L32-W59 HydrophobicContact CD1-CE3 4.01Å; L32-W59 HydrophobicContact CD1-CG 3.89Å; L32-W59 HydrophobicContact CD2-CD2 4.42Å; L32-W59 HydrophobicContact CD2-CE3 4.04Å; L32-W59 HydrophobicContact CD2-CZ3 4.16Å; L32-W59 HydrophobicContact CG-CD2 4.22Å; L32-W59 HydrophobicContact CG-CE3 4.29Å; L32-W59 HydrophobicContact CG-CG 4.46Å; L32-V246 HydrophobicContact CD2-CB 4.28Å; L32-V246 HydrophobicContact CD2-CG1 3.48Å; L32-V246 VanDerWaalsContact CD2-CG1 3.48Å; L32-V246 HydrophobicContact CD2-CG2 3.73Å; L32-R474 PolarHBondContact O-NE 3.37Å; L32-R474 PolarHBondContact O-NH2 2.83Å; L32-I477 HydrophobicContact CD2-CD1 4.27Å; L32-I477 HydrophobicContact CG-CD1 4.4Å
33Q93.9Very high94Very high63 Ų6327.3 Ų27.329%0.29413%0.134SC..Hα-helixtrans-69.8-51.8176.1-73.1175.5-17.600111.5R7 L29 Q30 K35R7-Q33 VanDerWaalsContact CZ-OE1 3.31Å; R7-Q33 PolarHBondContact O-NE2 3.1Å; L29-Q33 WeakPolarHBondContact O-CB 3.5Å; L29-Q33 VanDerWaalsContact O-CG 3.24Å; L29-Q33 WeakPolarHBondContact O-CG 3.5Å; L29-Q33 PolarHBondContact O-N 3.46Å; Q30-Q33 PolarHBondContact O-N 3.35Å; Q33-K35 VanDerWaalsContact C-N 3.26Å; Q33-K35 PolarHBondContact O-N 3.49Å
34E94.5Very high93.4Very high97 Ų9724.4 Ų24.445%0.45312%0.12SC..Hα-helixtrans-81.31.1-172-67.8167.6-158.900113.6R7 Q30 S36R7-E34 IonicContact CZ-OE1 3.51Å; R7-E34 IonicContact NH1-OE1 2.77Å; R7-E34 PolarHBondContact NH1-OE1 3.41Å; R7-E34 IonicContact NH2-OE1 2.68Å; R7-E34 PolarHBondContact NH2-OE1 3.34Å; Q30-E34 VanDerWaalsContact CG-CD 3.45Å; Q30-E34 HydrophobicContact CG-CG 4.45Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.35Å; Q30-E34 VanDerWaalsContact CG-OE2 3.24Å; Q30-E34 WeakPolarHBondContact CG-OE2 3.23Å; Q30-E34 PolarHBondContact NE2-OE1 2.9Å; Q30-E34 PolarHBondContact NE2-OE2 3.36Å; Q30-E34 WeakPolarHBondContact O-CB 3.34Å; Q30-E34 PolarHBondContact O-N 3.31Å; E34-S36 VanDerWaalsContact C-N 3.25Å; E34-S36 PolarHBondContact O-N 2.98Å
35K93.8Very high92.4Very high141 Ų14125.8 Ų25.861%0.61313%0.134SC*.THydrogen-bonded Turntrans51.543.9-173.2-60.7-172.1178.9-176.20112C31 Q33 R474C31-K35 PolarHBondContact O-N 3.38Å; Q33-K35 VanDerWaalsContact C-N 3.26Å; Q33-K35 PolarHBondContact O-N 3.49Å; K35-R474 CarbonylContact C-O 3.58Å; K35-R474 WeakPolarHBondContact CA-O 3.41Å; K35-R474 HydrophobicContact CB-CG 4.44Å; K35-R474 HydrophobicContact CG-CG 4.06Å
36S93.9Very high91.5Very high16 Ų1625.9 Ų25.911%0.11214%0.135CC..  trans-125.5134.4-165.971.10000111.5C31 E34 V499C31-S36 WeakPolarHBondContact CA-O 3.45Å; C31-S36 VanDerWaalsContact CB-O 3.26Å; C31-S36 WeakPolarHBondContact CB-O 3.19Å; C31-S36 PolarHBondContact O-N 3.4Å; E34-S36 VanDerWaalsContact C-N 3.25Å; E34-S36 PolarHBondContact O-N 2.98Å; S36-V499 WeakPolarHBondContact OG-CG2 3.44Å
37N95.4Very high91Very high27 Ų2725.5 Ų25.514%0.14414%0.137CC..  trans-64.7149177-52.9-37.2000111.4V476 K496 F497 P498 V499N37-V476 CarbonylContact C-O 3.57Å; N37-V476 WeakPolarHBondContact CA-O 3.46Å; N37-V476 WeakPolarHBondContact CB-O 3.33Å; N37-V476 PolarHBondContact OD1-N 2.97Å; N37-K496 WeakPolarHBondContact CB-O 3.43Å; N37-K496 PolarHBondContact ND2-O 3.35Å; N37-K496 VanDerWaalsContact ND2-O 3.09Å; N37-F497 HydrophobicContact CB-CD1 3.58Å; N37-F497 HydrophobicContact CB-CE1 3.98Å; N37-F497 HydrophobicContact CB-CG 4.42Å; N37-P498 VanDerWaalsContact O-CD 3.26Å; N37-P498 WeakPolarHBondContact O-CD 3.35Å; N37-V499 PolarHBondContact O-N 3.27Å
38G94.9Very high90.6Very high0 Ų023.2 Ų23.20%013%0.127CC..EExtended strand (participates in β ladder)trans-141.2154.1175.500000114.8V476 I477 L478 V499G38-V476 PolarHBondContact N-O 2.83Å; G38-I477 WeakPolarHBondContact O-CA 3.46Å; G38-L478 PolarHBondContact O-N 3.15Å; G38-V499 CarbonylContact C-O 3.34Å; G38-V499 WeakPolarHBondContact CA-O 3.41Å
39V95Very high90.4Very high0 Ų024.3 Ų24.30%013%0.133CC..EExtended strand (participates in β ladder)trans-122.4120168.2-170.90000109.3L478 L483 L486 F489 T490 F497 V499 L500 L501V39-L478 WeakPolarHBondContact CA-O 3.18Å; V39-L478 HydrophobicContact CG1-CB 4.29Å; V39-L478 HydrophobicContact CG2-CB 4.25Å; V39-L478 HydrophobicContact CG2-CD1 4.29Å; V39-L483 HydrophobicContact CG1-CD1 3.54Å; V39-L486 HydrophobicContact CG1-CD2 3.69Å; V39-F489 HydrophobicContact CG1-CD1 4.06Å; V39-F489 HydrophobicContact CG1-CE1 4.12Å; V39-T490 HydrophobicContact CB-CG2 4.41Å; V39-T490 HydrophobicContact CG2-CG2 3.82Å; V39-F497 HydrophobicContact CG2-CB 3.98Å; V39-F497 HydrophobicContact CG2-CD1 3.43Å; V39-F497 VanDerWaalsContact CG2-CD1 3.43Å; V39-F497 HydrophobicContact CG2-CD2 3.86Å; V39-F497 HydrophobicContact CG2-CE1 3.74Å; V39-F497 HydrophobicContact CG2-CE2 4.12Å; V39-F497 HydrophobicContact CG2-CG 3.49Å; V39-F497 VanDerWaalsContact CG2-CG 3.49Å; V39-F497 HydrophobicContact CG2-CZ 4.06Å; V39-V499 PolarHBondContact N-O 3.47Å; V39-L500 HydrophobicContact CB-CD2 3.96Å; V39-L500 HydrophobicContact CG2-CD2 4.36Å; V39-L500 WeakPolarHBondContact O-CA 3.4Å; V39-L501 PolarHBondContact O-N 2.72Å; V39-L501 VanDerWaalsContact O-N 3.15Å
40L93.8Very high90.1Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-121.5100.5-173.1-50.1178.6000109.5Y24 K27 V28 I477 L478 T479 V499 L501Y24-L40 HydrophobicContact CD2-CB 4.28Å; Y24-L40 HydrophobicContact CE2-CB 3.71Å; Y24-L40 HydrophobicContact CE2-CD1 4.11Å; K27-L40 HydrophobicContact CB-CD2 3.77Å; V28-L40 HydrophobicContact CG2-CD1 3.54Å; L40-I477 HydrophobicContact CD1-CG2 4.04Å; L40-I477 HydrophobicContact CG-CG2 4.47Å; L40-L478 PolarHBondContact N-O 2.74Å; L40-T479 WeakPolarHBondContact O-CA 3.38Å; L40-T479 WeakPolarHBondContact O-CB 3.33Å; L40-T479 PolarHBondContact O-OG1 3.16Å; L40-V499 HydrophobicContact CD2-CG1 4.4Å; L40-L501 HydrophobicContact CD2-CB 3.65Å; L40-L501 HydrophobicContact CD2-CD2 4.34Å
41E90.6Very high90Very high4 Ų423.7 Ų23.72%0.01913%0.131CC..EExtended strand (participates in β ladder)trans-82.2128.9165.7179.5165.5-12900109.5L483 S484 L486 L501 N503E41-L483 HydrophobicContact CB-CB 4.34Å; E41-L483 PolarHBondContact OE1-N 2.86Å; E41-S484 VanDerWaalsContact CD-N 3.33Å; E41-S484 WeakPolarHBondContact OE1-CB 3.31Å; E41-S484 PolarHBondContact OE1-N 3.17Å; E41-S484 VanDerWaalsContact OE2-CB 3.24Å; E41-S484 WeakPolarHBondContact OE2-CB 3.4Å; E41-S484 PolarHBondContact OE2-N 2.93Å; E41-L486 HydrophobicContact CB-CD2 4.04Å; E41-L486 HydrophobicContact CB-CG 4.44Å; E41-L501 PolarHBondContact N-O 3.25Å; E41-N503 WeakPolarHBondContact O-CB 3.22Å; E41-N503 PolarHBondContact O-N 3.07Å
42S88Confident89.9Confident2 Ų223.7 Ų23.71%0.01413%0.131CC..  trans-146.2131.3169-172.60000110.1T46 K48 S480 G481 N503S42-T46 PolarHBondContact OG-OG1 3.37Å; S42-K48 VanDerWaalsContact O-CD 3.29Å; S42-K48 WeakPolarHBondContact O-CD 3.21Å; S42-K48 PolarHBondContact O-NZ 3.13Å; S42-S480 PolarHBondContact N-O 3.47Å; S42-G481 VanDerWaalsContact O-CA 3.25Å; S42-G481 WeakPolarHBondContact O-CA 3.4Å; S42-N503 PolarHBondContact OG-ND2 2.82Å
43P83.4Confident89.9Confident3 Ų324 Ų242%0.01913%0.133CC..  trans-57.1167.5-170.2-27.334.7000115.7T46 G504 H505 W728P43-T46 HydrophobicContact CB-CG2 3.94Å; P43-T46 HydrophobicContact CG-CG2 4.34Å; P43-T46 WeakPolarHBondContact O-CG2 3.37Å; P43-T46 PolarHBondContact O-OG1 3.48Å; P43-G504 WeakPolarHBondContact CD-O 3.43Å; P43-H505 HydrophobicContact CB-CB 4.38Å; P43-H505 WeakPolarHBondContact CB-CD2 3.42Å; P43-H505 HydrophobicContact CG-CB 4.02Å; P43-W728 HydrophobicContact CG-CG 4.02Å
44T79.3Confident89.9Confident26 Ų2621 Ų2116%0.1612%0.119CC..THydrogen-bonded Turntrans-59.6150.9168.944.80000110.9T46 H505 G697 I700T44-T46 PolarHBondContact O-N 3.09Å; T44-T46 VanDerWaalsContact O-N 3.09Å; T44-H505 PolarHBondContact O-NE2 3.44Å; T44-G697 PolarHBondContact OG1-O 2.65Å; T44-I700 PolarHBondContact OG1-O 2.7Å
45G74.1Confident90Very high31 Ų3116.4 Ų16.432%0.3210%0.097SC..THydrogen-bonded Turntrans71-1.4179.700000117G47 R701G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 2.86Å; G45-R701 WeakPolarHBondContact CA-O 3.44Å
46T78.1Confident90.1Very high3 Ų39.8 Ų9.82%0.0187%0.069CC..SBendtrans-81.61.8176.764.40000114.2Q21 S42 P43 T44 V506Q21-T46 WeakPolarHBondContact CG-O 3.26Å; Q21-T46 PolarHBondContact NE2-O 3Å; S42-T46 PolarHBondContact OG-OG1 3.37Å; P43-T46 HydrophobicContact CB-CG2 3.94Å; P43-T46 HydrophobicContact CG-CG2 4.34Å; P43-T46 WeakPolarHBondContact O-CG2 3.37Å; P43-T46 PolarHBondContact O-OG1 3.48Å; T44-T46 PolarHBondContact O-N 3.09Å; T44-T46 VanDerWaalsContact O-N 3.09Å; T46-V506 HydrophobicContact CG2-CG2 3.97Å
47G84.2Confident90.2Very high27 Ų279.4 Ų9.428%0.2787%0.065SC..  trans70.832.5-178.200000114.5G45 T49 L50 C51G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 2.86Å; G47-T49 PolarHBondContact O-N 2.93Å; G47-L50 PolarHBondContact O-N 3.31Å; G47-C51 PolarHBondContact O-N 3.35Å; G47-C51 VanDerWaalsContact O-N 3.09Å; G47-C51 PolarHBondContact O-SG 2.79Å
48K89.2Confident90.1Very high17 Ų178.2 Ų8.27%0.0746%0.059CC..Hα-helixtrans-42.4-57.8179.6-87.6-158.5-63.5-73.50113.5Y24 S42 C51 L52 E251 G481Y24-K48 HydrophobicContact CE2-CG 4.39Å; S42-K48 VanDerWaalsContact O-CD 3.29Å; S42-K48 WeakPolarHBondContact O-CD 3.21Å; S42-K48 PolarHBondContact O-NZ 3.13Å; K48-C51 WeakPolarHBondContact O-CB 3.31Å; K48-C51 PolarHBondContact O-N 3.01Å; K48-L52 WeakPolarHBondContact O-CB 3.44Å; K48-L52 PolarHBondContact O-N 2.88Å; K48-E251 WeakPolarHBondContact CE-OE1 3.24Å; K48-E251 IonicContact NZ-OE1 2.79Å; K48-E251 PolarHBondContact NZ-OE1 2.7Å; K48-G481 VanDerWaalsContact NZ-N 3.17Å
49T91.2Very high90.2Very high22 Ų228.5 Ų8.514%0.1356%0.061CC..Hα-helixtrans-61.8-50.2-170.5-58.10000110.6G47 C51 L52 L53 V122 E125 D250G47-T49 PolarHBondContact O-N 2.93Å; T49-C51 VanDerWaalsContact C-N 3.35Å; T49-C51 PolarHBondContact O-N 3.38Å; T49-L52 WeakPolarHBondContact O-CB 3.44Å; T49-L52 PolarHBondContact O-N 2.93Å; T49-L53 HydrophobicContact CG2-CD1 4.28Å; T49-L53 WeakPolarHBondContact O-CB 3.47Å; T49-L53 WeakPolarHBondContact O-CG 3.29Å; T49-L53 PolarHBondContact O-N 3.04Å; T49-V122 HydrophobicContact CG2-CB 3.97Å; T49-V122 HydrophobicContact CG2-CG1 3.8Å; T49-V122 HydrophobicContact CG2-CG2 3.58Å; T49-E125 VanDerWaalsContact CB-OE2 3.25Å; T49-E125 WeakPolarHBondContact CB-OE2 3.26Å; T49-E125 WeakPolarHBondContact CG2-OE2 3.33Å; T49-D250 PolarHBondContact OG1-OD2 3.08Å
50L91.6Very high90.1Very high17 Ų179.3 Ų9.39%0.0896%0.064CC..Hα-helixtrans-56.7-43173-162.967.2000113.4F13 P14 F15 G47 C54 E125 T129F13-L50 HydrophobicContact CE2-CB 4.29Å; F13-L50 HydrophobicContact CE2-CD2 3.9Å; F13-L50 HydrophobicContact CE2-CG 3.76Å; F13-L50 HydrophobicContact CZ-CD2 3.87Å; F13-L50 HydrophobicContact CZ-CG 4.18Å; P14-L50 HydrophobicContact CG-CD1 4.25Å; P14-L50 HydrophobicContact CG-CD2 4.21Å; F15-L50 HydrophobicContact CD2-CD2 3.89Å; F15-L50 HydrophobicContact CE2-CD2 3.71Å; G47-L50 PolarHBondContact O-N 3.31Å; L50-C54 WeakPolarHBondContact O-CB 3.4Å; L50-C54 PolarHBondContact O-N 2.9Å; L50-C54 PolarHBondContact O-SG 2.67Å; L50-E125 WeakPolarHBondContact CA-OE2 3.46Å; L50-E125 WeakPolarHBondContact CB-OE2 3.32Å; L50-E125 HydrophobicContact CD1-CB 4.42Å; L50-E125 PolarHBondContact N-OE2 3.3Å; L50-T129 HydrophobicContact CD1-CG2 3.7Å
51C93.4Very high89.9Confident1 Ų112.2 Ų12.21%0.0078%0.077CC..Hα-helixtrans-64.5-42.5177.5-63.50000111.7Y24 M25 G47 K48 T49 A55Y24-C51 HydrophobicContact CD1-CB 3.66Å; Y24-C51 HydrophobicContact CE1-CB 4.06Å; M25-C51 HydrophobicContact CG-CB 3.78Å; M25-C51 HydrophobicContact SD-CB 4.44Å; G47-C51 PolarHBondContact O-N 3.35Å; G47-C51 VanDerWaalsContact O-N 3.09Å; G47-C51 PolarHBondContact O-SG 2.79Å; K48-C51 WeakPolarHBondContact O-CB 3.31Å; K48-C51 PolarHBondContact O-N 3.01Å; T49-C51 VanDerWaalsContact C-N 3.35Å; T49-C51 PolarHBondContact O-N 3.38Å; C51-A55 VanDerWaalsContact O-CB 3.25Å; C51-A55 WeakPolarHBondContact O-CB 3.25Å; C51-A55 PolarHBondContact O-N 3.03Å
52L94.8Very high90Very high0 Ų016.1 Ų16.10%010%0.095CC..Hα-helixtrans-65-46179.2-172.259.4000111.7Y24 V28 K48 T49 T56 Y111 I248 I477 T479Y24-L52 HydrophobicContact CE1-CB 4.04Å; Y24-L52 HydrophobicContact CE1-CD1 4.37Å; V28-L52 HydrophobicContact CG1-CD1 4.18Å; V28-L52 HydrophobicContact CG2-CD1 3.65Å; K48-L52 WeakPolarHBondContact O-CB 3.44Å; K48-L52 PolarHBondContact O-N 2.88Å; T49-L52 WeakPolarHBondContact O-CB 3.44Å; T49-L52 PolarHBondContact O-N 2.93Å; L52-T56 VanDerWaalsContact O-CB 3.31Å; L52-T56 WeakPolarHBondContact O-CB 3.36Å; L52-T56 PolarHBondContact O-N 2.77Å; L52-T56 VanDerWaalsContact O-N 3.12Å; L52-T56 PolarHBondContact O-OG1 3.02Å; L52-Y111 HydrophobicContact CD2-CE2 3.91Å; L52-Y111 HydrophobicContact CG-CE2 4.3Å; L52-I248 HydrophobicContact CD1-CD1 4.28Å; L52-I248 HydrophobicContact CD1-CG2 4.31Å; L52-I248 HydrophobicContact CD2-CG2 3.6Å; L52-I248 HydrophobicContact CG-CD1 4.37Å; L52-I248 HydrophobicContact CG-CG2 4.17Å; L52-I477 HydrophobicContact CD1-CG2 4.49Å; L52-T479 HydrophobicContact CD2-CG2 3.76Å
53L94.5Very high90.1Very high7 Ų718 Ų184%0.03710%0.103CC..Hα-helixtrans-60.9-55.3174.5-71.6173.1000111.2T49 A55 T56 L57 Y111 V122 E125 L126 F223T49-L53 HydrophobicContact CG2-CD1 4.28Å; T49-L53 WeakPolarHBondContact O-CB 3.47Å; T49-L53 WeakPolarHBondContact O-CG 3.29Å; T49-L53 PolarHBondContact O-N 3.04Å; L53-A55 PolarHBondContact O-N 2.95Å; L53-T56 PolarHBondContact O-N 3.22Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 VanDerWaalsContact O-CG 3.27Å; L53-L57 WeakPolarHBondContact O-CG 3.25Å; L53-L57 PolarHBondContact O-N 2.8Å; L53-Y111 HydrophobicContact CD2-CD2 4.24Å; L53-Y111 HydrophobicContact CD2-CE2 4.04Å; L53-V122 HydrophobicContact CD1-CG1 3.95Å; L53-V122 HydrophobicContact CD2-CG1 4.03Å; L53-V122 HydrophobicContact CG-CG1 4.29Å; L53-E125 HydrophobicContact CD1-CB 4.25Å; L53-L126 HydrophobicContact CD1-CB 4.06Å; L53-F223 HydrophobicContact CD2-CZ 4.42Å
54C94.9Very high90.3Very high0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-63.4-42.9-174.2-64.40000112.3V11 F13 L50 A58 Y131V11-C54 HydrophobicContact CG1-CB 3.97Å; F13-C54 HydrophobicContact CD2-CB 3.84Å; F13-C54 HydrophobicContact CE2-CB 4.33Å; L50-C54 WeakPolarHBondContact O-CB 3.4Å; L50-C54 PolarHBondContact O-N 2.9Å; L50-C54 PolarHBondContact O-SG 2.67Å; C54-A58 VanDerWaalsContact O-CB 3.23Å; C54-A58 WeakPolarHBondContact O-CB 3.31Å; C54-A58 PolarHBondContact O-N 2.82Å; C54-Y131 HydrophobicContact CB-CE2 3.89Å
55A95.6Very high90.6Very high0 Ų024.7 Ų24.70%013%0.131CC..Hα-helixtrans-65.1-42.517700000112.5M25 V28 L29 C51 L53 W59M25-A55 HydrophobicContact CB-CB 4.02Å; M25-A55 HydrophobicContact CG-CB 4Å; V28-A55 HydrophobicContact CB-CB 4.01Å; V28-A55 HydrophobicContact CG1-CB 3.77Å; L29-A55 HydrophobicContact CD2-CB 4.37Å; L29-A55 WeakPolarHBondContact CD2-O 3.43Å; L29-A55 HydrophobicContact CG-CB 4.26Å; C51-A55 VanDerWaalsContact O-CB 3.25Å; C51-A55 WeakPolarHBondContact O-CB 3.25Å; C51-A55 PolarHBondContact O-N 3.03Å; L53-A55 PolarHBondContact O-N 2.95Å; A55-W59 VanDerWaalsContact O-CB 3.3Å; A55-W59 WeakPolarHBondContact O-CB 3.46Å; A55-W59 PolarHBondContact O-N 2.77Å; A55-W59 VanDerWaalsContact O-N 3.08Å
56T96.1Very high91.2Very high3 Ų324.7 Ų24.72%0.01813%0.126CC..Hα-helixtrans-71.3-38.1-178.4-48.80000111.9L32 L52 L53 R60 I109 V246 I248L32-T56 HydrophobicContact CD1-CG2 3.99Å; L32-T56 HydrophobicContact CD2-CG2 4.21Å; L52-T56 VanDerWaalsContact O-CB 3.31Å; L52-T56 WeakPolarHBondContact O-CB 3.36Å; L52-T56 PolarHBondContact O-N 2.77Å; L52-T56 VanDerWaalsContact O-N 3.12Å; L52-T56 PolarHBondContact O-OG1 3.02Å; L53-T56 PolarHBondContact O-N 3.22Å; T56-R60 WeakPolarHBondContact O-CB 3.24Å; T56-R60 PolarHBondContact O-N 2.68Å; T56-I109 HydrophobicContact CG2-CD1 3.65Å; T56-I109 HydrophobicContact CG2-CG1 3.92Å; T56-I109 HydrophobicContact CG2-CG2 4.19Å; T56-V246 HydrophobicContact CG2-CG1 4.36Å; T56-I248 HydrophobicContact CG2-CD1 4.07Å
57L95.3Very high91.4Very high7 Ų725.7 Ų25.74%0.03713%0.131CC..Hα-helixtrans-72.2-46.3179-68.5171.4000112.1L53 W59 R60 E61 I109 L126 Y131 P133 V221L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 VanDerWaalsContact O-CG 3.27Å; L53-L57 WeakPolarHBondContact O-CG 3.25Å; L53-L57 PolarHBondContact O-N 2.8Å; L57-W59 VanDerWaalsContact C-N 3.28Å; L57-W59 PolarHBondContact O-N 3.01Å; L57-R60 PolarHBondContact O-N 3.14Å; L57-E61 PolarHBondContact O-N 3.14Å; L57-I109 HydrophobicContact CD2-CD1 4.08Å; L57-L126 HydrophobicContact CD1-CD1 3.43Å; L57-L126 VanDerWaalsContact CD1-CD1 3.43Å; L57-Y131 HydrophobicContact CB-CD1 3.91Å; L57-Y131 HydrophobicContact CB-CD2 4.26Å; L57-Y131 HydrophobicContact CB-CE1 4.31Å; L57-Y131 HydrophobicContact CB-CG 3.89Å; L57-Y131 HydrophobicContact CD1-CD2 4.19Å; L57-Y131 HydrophobicContact CD1-CG 4.03Å; L57-P133 HydrophobicContact CD1-CG 4.18Å; L57-P133 HydrophobicContact CD2-CB 3.92Å; L57-P133 HydrophobicContact CD2-CG 3.86Å; L57-V221 HydrophobicContact CD2-CG2 3.85Å
58A94.8Very high91.3Very high3 Ų327.1 Ų27.13%0.02514%0.137CC..Hα-helixtrans-59.2-39.9174.100000112.2V9 V11 C54 H62 Y131V9-A58 HydrophobicContact CG1-CB 3.91Å; V11-A58 HydrophobicContact CB-CB 4.23Å; V11-A58 HydrophobicContact CG1-CB 4.27Å; V11-A58 HydrophobicContact CG2-CB 3.95Å; C54-A58 VanDerWaalsContact O-CB 3.23Å; C54-A58 WeakPolarHBondContact O-CB 3.31Å; C54-A58 PolarHBondContact O-N 2.82Å; A58-H62 VanDerWaalsContact O-CB 3.26Å; A58-H62 WeakPolarHBondContact O-CB 3.27Å; A58-H62 PolarHBondContact O-N 3.3Å; A58-Y131 HydrophobicContact CB-CE1 4.18Å
59W95.6Very high90.8Very high6 Ų627.7 Ų27.72%0.02314%0.144CC..Hα-helixtrans-62.1-42.3172.8170.481000112.2L29 L32 A55 L57 F63 P107 V246L29-W59 HydrophobicContact CD2-CB 3.73Å; L32-W59 HydrophobicContact CB-CD2 3.62Å; L32-W59 HydrophobicContact CB-CE3 4.12Å; L32-W59 HydrophobicContact CB-CG 3.82Å; L32-W59 HydrophobicContact CB-CZ2 4.26Å; L32-W59 HydrophobicContact CD1-CB 3.91Å; L32-W59 HydrophobicContact CD1-CD2 3.96Å; L32-W59 HydrophobicContact CD1-CE3 4.01Å; L32-W59 HydrophobicContact CD1-CG 3.89Å; L32-W59 HydrophobicContact CD2-CD2 4.42Å; L32-W59 HydrophobicContact CD2-CE3 4.04Å; L32-W59 HydrophobicContact CD2-CZ3 4.16Å; L32-W59 HydrophobicContact CG-CD2 4.22Å; L32-W59 HydrophobicContact CG-CE3 4.29Å; L32-W59 HydrophobicContact CG-CG 4.46Å; A55-W59 VanDerWaalsContact O-CB 3.3Å; A55-W59 WeakPolarHBondContact O-CB 3.46Å; A55-W59 PolarHBondContact O-N 2.77Å; A55-W59 VanDerWaalsContact O-N 3.08Å; L57-W59 VanDerWaalsContact C-N 3.28Å; L57-W59 PolarHBondContact O-N 3.01Å; W59-F63 HydrophobicContact CZ2-CB 4.29Å; W59-F63 HydrophobicContact CZ2-CD2 4.06Å; W59-F63 HydrophobicContact CZ2-CG 4.06Å; W59-F63 WeakPolarHBondContact O-CB 3.3Å; W59-F63 PolarHBondContact O-N 2.97Å; W59-P107 HydrophobicContact CH2-CB 4.12Å; W59-P107 HydrophobicContact CH2-CG 4Å; W59-P107 HydrophobicContact CZ3-CB 4.42Å; W59-V246 HydrophobicContact CH2-CG2 4.14Å; W59-V246 HydrophobicContact CZ3-CG2 3.92Å
60R93.3Very high90.2Very high17 Ų1733 Ų336%0.06416%0.162CC..Hα-helixtrans-68.7-39.8-179.4-173.7173.4-178.5-86.54.8112.4T56 L57 F63 R64 I106 P107 I109 D220T56-R60 WeakPolarHBondContact O-CB 3.24Å; T56-R60 PolarHBondContact O-N 2.68Å; L57-R60 PolarHBondContact O-N 3.14Å; R60-F63 PolarHBondContact O-N 3.35Å; R60-R64 WeakPolarHBondContact O-CB 3.47Å; R60-R64 PolarHBondContact O-N 3.47Å; R60-I106 HydrophobicContact CG-CG2 4.03Å; R60-P107 PolarHBondContact NE-O 2.87Å; R60-I109 HydrophobicContact CB-CD1 4.31Å; R60-D220 IonicContact CZ-OD1 3.09Å; R60-D220 VanDerWaalsContact NH1-CB 3.34Å; R60-D220 IonicContact NH1-OD1 2.67Å; R60-D220 PolarHBondContact NH1-OD1 3.12Å; R60-D220 IonicContact NH1-OD2 3.4Å; R60-D220 IonicContact NH2-OD1 2.88Å; R60-D220 PolarHBondContact NH2-OD1 3.24Å
61E91.1Very high89.4Confident60 Ų6037.1 Ų37.128%0.2818%0.176SC..Hα-helixtrans-61.9-53.1172.7-70.8178.2160.900110.5L57 F63 R64 D65 Y131L57-E61 PolarHBondContact O-N 3.14Å; E61-F63 VanDerWaalsContact C-N 3.26Å; E61-F63 PolarHBondContact O-N 3.4Å; E61-R64 WeakPolarHBondContact O-CB 3.4Å; E61-R64 PolarHBondContact O-N 3.41Å; E61-D65 WeakPolarHBondContact O-CB 3.39Å; E61-D65 PolarHBondContact O-N 3.11Å; E61-Y131 WeakPolarHBondContact OE2-CD1 3.33Å; E61-Y131 WeakPolarHBondContact OE2-CE1 3.5Å
62H90.9Very high88.5Confident87 Ų8740.7 Ų40.740%0.40320%0.195SC..Hα-helixtrans-56.5-38.3174.4177-85.4000112.8V9 A58 D65 S66V9-H62 HydrophobicContact CG1-CB 4.27Å; A58-H62 VanDerWaalsContact O-CB 3.26Å; A58-H62 WeakPolarHBondContact O-CB 3.27Å; A58-H62 PolarHBondContact O-N 3.3Å; H62-D65 PolarHBondContact O-N 2.9Å; H62-S66 WeakPolarHBondContact O-CB 3.36Å; H62-S66 PolarHBondContact O-N 3.11Å
63F89.9Confident87.5Confident40 Ų4043.2 Ų43.218%0.17522%0.215CC..Hα-helixtrans-68.2-45.7178.5-170.3-101000111.9W59 R60 E61 D65 S66 I67 P107W59-F63 HydrophobicContact CZ2-CB 4.29Å; W59-F63 HydrophobicContact CZ2-CD2 4.06Å; W59-F63 HydrophobicContact CZ2-CG 4.06Å; W59-F63 WeakPolarHBondContact O-CB 3.3Å; W59-F63 PolarHBondContact O-N 2.97Å; R60-F63 PolarHBondContact O-N 3.35Å; E61-F63 VanDerWaalsContact C-N 3.26Å; E61-F63 PolarHBondContact O-N 3.4Å; F63-D65 VanDerWaalsContact C-N 3.34Å; F63-D65 PolarHBondContact O-N 3.4Å; F63-S66 PolarHBondContact O-N 2.93Å; F63-S66 PolarHBondContact O-OG 3.27Å; F63-I67 HydrophobicContact CD1-CD1 3.87Å; F63-I67 HydrophobicContact CE1-CD1 3.48Å; F63-I67 VanDerWaalsContact CE1-CD1 3.48Å; F63-I67 HydrophobicContact CE1-CG1 4.46Å; F63-I67 HydrophobicContact CZ-CD1 4.08Å; F63-I67 WeakPolarHBondContact O-CG1 3.48Å; F63-I67 PolarHBondContact O-N 3.3Å; F63-I67 VanDerWaalsContact O-N 3.15Å; F63-P107 HydrophobicContact CE1-CG 4.22Å
64R88.4Confident86.4Confident95 Ų9548.7 Ų48.736%0.35825%0.245SC..Hα-helixtrans-53.7-51.8170.3172.6-164.371.7-152.6-8.2110.4R60 E61 S66 I67 S68 I106R60-R64 WeakPolarHBondContact O-CB 3.47Å; R60-R64 PolarHBondContact O-N 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.4Å; E61-R64 PolarHBondContact O-N 3.41Å; R64-S66 VanDerWaalsContact C-N 3.29Å; R64-S66 PolarHBondContact O-N 2.9Å; R64-I67 WeakPolarHBondContact O-CA 3.49Å; R64-I67 WeakPolarHBondContact O-CB 3.44Å; R64-I67 PolarHBondContact O-N 3.38Å; R64-S68 PolarHBondContact O-N 3.28Å; R64-S68 PolarHBondContact O-OG 3.39Å; R64-I106 HydrophobicContact CB-CD1 4.04Å; R64-I106 HydrophobicContact CG-CD1 3.8Å
65D86.7Confident85.1Confident76 Ų7657.2 Ų57.241%0.40628%0.282SS..Hα-helixtrans-66.5-34.4-174.2-60.3-17.5000110.9E61 H62 F63 I67 S68 A69E61-D65 WeakPolarHBondContact O-CB 3.39Å; E61-D65 PolarHBondContact O-N 3.11Å; H62-D65 PolarHBondContact O-N 2.9Å; F63-D65 VanDerWaalsContact C-N 3.34Å; F63-D65 PolarHBondContact O-N 3.4Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 3.45Å; D65-S68 PolarHBondContact O-N 2.9Å; D65-A69 VanDerWaalsContact O-CB 3.31Å; D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 3.09Å
66S85.6Confident83.6Confident30 Ų3061.2 Ų61.221%0.2130%0.303CS..Hα-helixtrans-66.1-26.4171.184.60000114.4H62 F63 R64 R70H62-S66 WeakPolarHBondContact O-CB 3.36Å; H62-S66 PolarHBondContact O-N 3.11Å; F63-S66 PolarHBondContact O-N 2.93Å; F63-S66 PolarHBondContact O-OG 3.27Å; R64-S66 VanDerWaalsContact C-N 3.29Å; R64-S66 PolarHBondContact O-N 2.9Å; S66-R70 WeakPolarHBondContact O-CG 3.42Å; S66-R70 PolarHBondContact O-N 3.47Å; S66-R70 PolarHBondContact O-NE 3.34Å; S66-R70 PolarHBondContact OG-NH2 2.71Å
67I83.2Confident81.8Confident25 Ų2570.4 Ų70.413%0.12834%0.343CS..Hα-helixtrans-78.8-44.5174.7-71.5169.1000109.4F63 R64 D65 A69 R70 R71 D105 I106F63-I67 HydrophobicContact CD1-CD1 3.87Å; F63-I67 HydrophobicContact CE1-CD1 3.48Å; F63-I67 VanDerWaalsContact CE1-CD1 3.48Å; F63-I67 HydrophobicContact CE1-CG1 4.46Å; F63-I67 HydrophobicContact CZ-CD1 4.08Å; F63-I67 WeakPolarHBondContact O-CG1 3.48Å; F63-I67 PolarHBondContact O-N 3.3Å; F63-I67 VanDerWaalsContact O-N 3.15Å; R64-I67 WeakPolarHBondContact O-CA 3.49Å; R64-I67 WeakPolarHBondContact O-CB 3.44Å; R64-I67 PolarHBondContact O-N 3.38Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 3.45Å; I67-A69 VanDerWaalsContact C-N 3.35Å; I67-A69 PolarHBondContact O-N 3.45Å; I67-R70 PolarHBondContact O-N 3.24Å; I67-R71 WeakPolarHBondContact O-CB 2.95Å; I67-R71 WeakPolarHBondContact O-CG 3.41Å; I67-R71 PolarHBondContact O-N 3.37Å; I67-D105 HydrophobicContact CD1-CB 4.37Å; I67-D105 WeakPolarHBondContact CD1-O 3.25Å; I67-I106 HydrophobicContact CD1-CG1 4.46Å
68S81.3Confident79.9Confident57 Ų5773.3 Ų73.340%0.39937%0.374SS..Hα-helixtrans-57.2-47.2174-58.70000111.4R64 D65 R70 R71 L72R64-S68 PolarHBondContact O-N 3.28Å; R64-S68 PolarHBondContact O-OG 3.39Å; D65-S68 PolarHBondContact O-N 2.9Å; S68-R70 PolarHBondContact O-N 2.88Å; S68-R71 PolarHBondContact O-N 2.97Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 2.92Å
69A79.7Confident77.6Confident28 Ų2880.3 Ų80.323%0.23141%0.406CS..Hα-helixtrans-57.5-48.217700000112.7D65 I67 L72 A73 L87D65-A69 VanDerWaalsContact O-CB 3.31Å; D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 3.09Å; I67-A69 VanDerWaalsContact C-N 3.35Å; I67-A69 PolarHBondContact O-N 3.45Å; A69-L72 PolarHBondContact O-N 2.88Å; A69-A73 PolarHBondContact O-N 2.81Å; A69-L87 HydrophobicContact CB-CD2 3.51Å
70R78.2Confident75.2Confident133 Ų13388.3 Ų88.350%0.50244%0.444SS..Hα-helixtrans-62.4-47.8177-80.6175.2-78.2169.1-5.2111.8S66 I67 S68 L72 A73 D74S66-R70 WeakPolarHBondContact O-CG 3.42Å; S66-R70 PolarHBondContact O-N 3.47Å; S66-R70 PolarHBondContact O-NE 3.34Å; S66-R70 PolarHBondContact OG-NH2 2.71Å; I67-R70 PolarHBondContact O-N 3.24Å; S68-R70 PolarHBondContact O-N 2.88Å; R70-L72 PolarHBondContact O-N 3.4Å; R70-A73 PolarHBondContact O-N 3.07Å; R70-D74 PolarHBondContact O-N 3.14Å; R70-D74 VanDerWaalsContact O-OD2 3.13Å
71R74.5Confident72.8Confident104 Ų10493.6 Ų93.639%0.39247%0.473SS..Hα-helixtrans-60.8-29.9177.2-76.7-178.7159.4150.80.8113.7I67 S68 K75 D105I67-R71 WeakPolarHBondContact O-CB 2.95Å; I67-R71 WeakPolarHBondContact O-CG 3.41Å; I67-R71 PolarHBondContact O-N 3.37Å; S68-R71 PolarHBondContact O-N 2.97Å; R71-K75 WeakPolarHBondContact O-CB 3.35Å; R71-K75 VanDerWaalsContact O-CG 3.31Å; R71-K75 WeakPolarHBondContact O-CG 3.22Å; R71-K75 PolarHBondContact O-N 3.09Å; R71-D105 IonicContact CZ-OD2 3.15Å; R71-D105 IonicContact NH1-OD2 2.74Å; R71-D105 PolarHBondContact NH1-OD2 3.43Å; R71-D105 IonicContact NH2-OD2 3.76Å; R71-D105 PolarHBondContact NH2-OD2 2.84Å
72L74.8Confident70.6Confident76 Ų7697.7 Ų97.740%0.39849%0.49SS..Hα-helixtrans-72.9-45.7172.1-71.9167000111.3S68 A69 R70 D74 K75 L76S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 2.92Å; A69-L72 PolarHBondContact O-N 2.88Å; R70-L72 PolarHBondContact O-N 3.4Å; L72-D74 PolarHBondContact O-N 3.19Å; L72-K75 PolarHBondContact O-N 2.79Å; L72-L76 WeakPolarHBondContact O-CB 3.33Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.24Å; L72-L76 PolarHBondContact O-N 3.36Å
73A73.3Confident68.3Low53 Ų5399.4 Ų99.444%0.43851%0.509SS..Hα-helixtrans-60.5-42.6175.800000112.6A69 R70 L76 K77A69-A73 PolarHBondContact O-N 2.81Å; R70-A73 PolarHBondContact O-N 3.07Å; A73-L76 CarbonylContact O-C 3.6Å; A73-L76 PolarHBondContact O-N 3.02Å; A73-K77 PolarHBondContact O-N 2.81Å; A73-K77 VanDerWaalsContact O-N 3.1Å
74D70.8Confident65.7Low122 Ų122102.5 Ų102.565%0.65254%0.535SS*.Hα-helixtrans-59.8-45.4175.3-63.1-33.7000111.2R70 L72 L76 K77R70-D74 PolarHBondContact O-N 3.14Å; R70-D74 VanDerWaalsContact O-OD2 3.13Å; L72-D74 PolarHBondContact O-N 3.19Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.43Å; D74-K77 PolarHBondContact O-N 3.12Å
75K68.5Low63.5Low179 Ų179101.1 Ų101.178%0.77854%0.537SS*.Hα-helixtrans-65-34.9175.6-79.9-177.8174.1-168.40112.9R71 L72 K77R71-K75 WeakPolarHBondContact O-CB 3.35Å; R71-K75 VanDerWaalsContact O-CG 3.31Å; R71-K75 WeakPolarHBondContact O-CG 3.22Å; R71-K75 PolarHBondContact O-N 3.09Å; L72-K75 PolarHBondContact O-N 2.79Å; K75-K77 VanDerWaalsContact C-N 3.33Å
76L64Low61.4Low85 Ų85102 Ų10245%0.44555%0.547SS..THydrogen-bonded Turntrans-84.1-1.8-179-71.5167.3000113.9L72 A73 D74 G78 Q79L72-L76 WeakPolarHBondContact O-CB 3.33Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.24Å; L72-L76 PolarHBondContact O-N 3.36Å; A73-L76 CarbonylContact O-C 3.6Å; A73-L76 PolarHBondContact O-N 3.02Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.43Å; L76-G78 PolarHBondContact O-N 3.3Å; L76-Q79 PolarHBondContact O-N 2.68Å; L76-Q79 VanDerWaalsContact O-N 3.09Å
77K57.8Low59.5Low196 Ų196106.2 Ų106.285%0.85257%0.567SS**THydrogen-bonded Turntrans5028.9-179.1-61.8-175.4177.2-179.90114.3A73 D74 K75A73-K77 PolarHBondContact O-N 2.81Å; A73-K77 VanDerWaalsContact O-N 3.1Å; D74-K77 PolarHBondContact O-N 3.12Å; K75-K77 VanDerWaalsContact C-N 3.33Å
78G55.1Low57.5Low67 Ų67109.9 Ų109.969%0.69160%0.601SS**THydrogen-bonded Turntrans76.615.7179.700000116.5L76L76-G78 PolarHBondContact O-N 3.3Å
79Q48.2Very low55.5Low151 Ų151111.2 Ų111.271%0.70661%0.61SS**  trans-85.6108.1168.2-76-170.4-28.300111.4L76L76-Q79 PolarHBondContact O-N 2.68Å; L76-Q79 VanDerWaalsContact O-N 3.09Å
80E44Very low53.9Low174 Ų174117.5 Ų117.581%0.81363%0.628SS**  trans-78.4114.9169.7-65.3-170.5159.500110.6
81L43.5Very low52Low127 Ų127114.1 Ų114.167%0.66563%0.634SS**SBendtrans-90-19.7179-84.9162.6000114.3
82F45.3Very low50.2Low146 Ų146116.3 Ų116.364%0.6466%0.66SS**  trans-145.398.3-174.8-61.9-71.3000112.5S84F82-S84 VanDerWaalsContact C-N 3.26Å; F82-S84 PolarHBondContact O-N 3.11Å
83P41.7Very low48.2Very low123 Ų123116.8 Ų116.880%0.79968%0.675SS**THydrogen-bonded Turntrans-69.6-9.8-175.3-23.434.8000116.6
84S35.3Very low46.5Very low105 Ų105118.8 Ų118.873%0.73469%0.691SS**THydrogen-bonded Turntrans-116.84.4-163.655.90000115.8F82F82-S84 VanDerWaalsContact C-N 3.26Å; F82-S84 PolarHBondContact O-N 3.11Å
85T41.7Very low44.8Very low66 Ų66119 Ų11941%0.40570%0.697SS.*SBendtrans-113.8114.7-176.1-540000111.1
86P43.7Very low43.3Very low95 Ų95118.4 Ų118.462%0.61770%0.702SS**  trans-59.4138.7178-24.934.5000112.5A88 S89P86-A88 PolarHBondContact O-N 2.95Å; P86-S89 VanDerWaalsContact O-CB 3.25Å; P86-S89 WeakPolarHBondContact O-CB 3.34Å; P86-S89 PolarHBondContact O-N 2.88Å
87L45.1Very low42Very low119 Ų119118.3 Ų118.362%0.62372%0.722SS**G310 helixtrans-57.5-26.5-175.6-145.376.1000113.7A69 S89 W90A69-L87 HydrophobicContact CB-CD2 3.51Å; L87-S89 PolarHBondContact O-N 2.92Å; L87-W90 PolarHBondContact O-N 2.88Å
88A41Very low40.7Very low102 Ų102115.7 Ų115.784%0.84372%0.717SS**G310 helixtrans-67.4-10.5174.700000114.6P86 W90P86-A88 PolarHBondContact O-N 2.95Å; A88-W90 VanDerWaalsContact C-N 3.31Å
89S39.2Very low39.4Very low85 Ų85121.3 Ų121.359%0.59472%0.722SS**G310 helixtrans-78.9-13176.1-1710000113.4P86 L87 G91P86-S89 VanDerWaalsContact O-CB 3.25Å; P86-S89 WeakPolarHBondContact O-CB 3.34Å; P86-S89 PolarHBondContact O-N 2.88Å; L87-S89 PolarHBondContact O-N 2.92Å; S89-G91 PolarHBondContact O-N 3.31Å; S89-G91 VanDerWaalsContact O-N 3.1Å
90W46Very low38.9Very low160 Ų160119.5 Ų119.561%0.60672%0.724SS**SBendtrans-86.781.9-177.8-71.743.7000108.8L87 A88L87-W90 PolarHBondContact O-N 2.88Å; A88-W90 VanDerWaalsContact C-N 3.31Å
91G37.6Very low38.7Very low61 Ų61116.2 Ų116.263%0.62972%0.716SS**  trans-59.916618000000113.4S89 A93S89-G91 PolarHBondContact O-N 3.31Å; S89-G91 VanDerWaalsContact O-N 3.1Å; G91-A93 PolarHBondContact O-N 3.49Å
92T37Very low38.7Very low151 Ų151118.8 Ų118.893%0.92672%0.718SS**  trans-71.370.8-177.752.60000112.5A94T92-A94 PolarHBondContact O-N 2.87Å
93A33.1Very low39Very low86 Ų86116 Ų11671%0.71170%0.704SS**  trans-66.2111.7166.500000108.8G91 T95G91-A93 PolarHBondContact O-N 3.49Å; A93-T95 PolarHBondContact O-N 3.16Å; A93-T95 VanDerWaalsContact O-N 3.09Å
94A37.8Very low39.6Very low94 Ų94115.5 Ų115.578%0.77770%0.699SS**  trans-72.2100.8172.900000109.1T92 D96T92-A94 PolarHBondContact O-N 2.87Å; A94-D96 PolarHBondContact O-N 3.35Å
95T34.7Very low41.1Very low128 Ų128113.3 Ų113.379%0.78568%0.679SS**  trans-78.8104.1166.353.60000108.5A93A93-T95 PolarHBondContact O-N 3.16Å; A93-T95 VanDerWaalsContact O-N 3.09Å
96D36.9Very low43.1Very low165 Ų165111.5 Ų111.588%0.88267%0.666SS**THydrogen-bonded Turntrans-58.3148.3169.5-82.9-47.4000111.3A94A94-D96 PolarHBondContact O-N 3.35Å
97G36.6Very low45.3Very low83 Ų83107.7 Ų107.786%0.85664%0.641SS**THydrogen-bonded Turntrans98.64.5158.100000118.8
98D30.2Very low47.5Very low142 Ų142103.7 Ų103.776%0.75962%0.619SS**SBendtrans-135158.8174.5-144.6-20.2000114.1
99K29Very low50.2Low184 Ų18499.1 Ų99.180%0.858%0.58SS**PPolyproline II helixtrans-55.4127.9-161.3-66.9173.5-176.4171.50112.4
100P37Very low52.9Low114 Ų11495.1 Ų95.174%0.7455%0.552SS**PPolyproline II helixtrans-62.3141.7-177.226.2-34.7000111.1Y102P100-Y102 PolarHBondContact O-N 2.91Å; P100-Y102 VanDerWaalsContact O-N 3.16Å
101T40.4Very low55.3Low105 Ų10587.6 Ų87.664%0.64452%0.524SS*.PPolyproline II helixtrans-52.9121.2171.945.80000110.1Y103T101-Y103 PolarHBondContact O-N 3.14Å; T101-Y103 VanDerWaalsContact O-N 3.14Å
102Y44Very low58Low181 Ų18184.7 Ų84.771%0.7149%0.494SS*.PPolyproline II helixtrans-53.6121.2176.4-77.7-90.1000110.2P100 T104P100-Y102 PolarHBondContact O-N 2.91Å; P100-Y102 VanDerWaalsContact O-N 3.16Å; Y102-T104 WeakPolarHBondContact CB-OG1 3.45Å; Y102-T104 PolarHBondContact O-N 3.24Å
103Y49.9Very low60.7Low88 Ų8877.5 Ų77.535%0.34545%0.45SS..G310 helixtrans-68.1-3.2-177-133.4-105.7000113.2T101 D220T101-Y103 PolarHBondContact O-N 3.14Å; T101-Y103 VanDerWaalsContact O-N 3.14Å; Y103-D220 PolarHBondContact OH-OD1 3.29Å
104T54.4Low63.2Low112 Ų11276.9 Ų76.969%0.68743%0.429SS*.G310 helixtrans-68.1-29.1-177.249.30000113.7Y102 I106Y102-T104 WeakPolarHBondContact CB-OG1 3.45Å; Y102-T104 PolarHBondContact O-N 3.24Å; T104-I106 VanDerWaalsContact C-N 3.34Å; T104-I106 PolarHBondContact O-N 2.79Å
105D67.4Low65.4Low58 Ų5874.9 Ų74.931%0.3141%0.407SS..G310 helixtrans-84.3-13.1-168.2-47.9-33.7000113.1I67 R71I67-D105 HydrophobicContact CD1-CB 4.37Å; I67-D105 WeakPolarHBondContact CD1-O 3.25Å; R71-D105 IonicContact CZ-OD2 3.15Å; R71-D105 IonicContact NH1-OD2 2.74Å; R71-D105 PolarHBondContact NH1-OD2 3.43Å; R71-D105 IonicContact NH2-OD2 3.76Å; R71-D105 PolarHBondContact NH2-OD2 2.84Å
106I84.3Confident67.7Low29 Ų2970.1 Ų70.115%0.14938%0.376CS..SBendtrans-106.7113-177.8-55169.5000108.3R60 R64 I67 T104 K108R60-I106 HydrophobicContact CG-CG2 4.03Å; R64-I106 HydrophobicContact CB-CD1 4.04Å; R64-I106 HydrophobicContact CG-CD1 3.8Å; I67-I106 HydrophobicContact CD1-CG1 4.46Å; T104-I106 VanDerWaalsContact C-N 3.34Å; T104-I106 PolarHBondContact O-N 2.79Å; I106-K108 PolarHBondContact O-N 3.11Å
107P89.3Confident69.8Low14 Ų1465.3 Ų65.39%0.09136%0.355CS..PPolyproline II helixtrans-50.4129.3179.6-34.940.9000113.9W59 R60 F63 G244 V246W59-P107 HydrophobicContact CH2-CB 4.12Å; W59-P107 HydrophobicContact CH2-CG 4Å; W59-P107 HydrophobicContact CZ3-CB 4.42Å; R60-P107 PolarHBondContact NE-O 2.87Å; F63-P107 HydrophobicContact CE1-CG 4.22Å; P107-G244 WeakPolarHBondContact CB-O 3.45Å; P107-V246 HydrophobicContact CB-CG2 4.2Å
108K92.6Very high72.2Confident36 Ų3662.9 Ų62.916%0.15732%0.321CS..PPolyproline II helixtrans-73142.2166.3-63.4179.4-179.3-179.80109I106 E241 A245 V246I106-K108 PolarHBondContact O-N 3.11Å; K108-E241 IonicContact NZ-OE2 2.67Å; K108-E241 PolarHBondContact NZ-OE2 3.39Å; K108-A245 WeakPolarHBondContact O-CA 3.29Å; K108-V246 PolarHBondContact O-N 3.42Å
109I95.8Very high75Confident5 Ų556.1 Ų56.13%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-100.3123.2175.6-59.4159000108.3T56 L57 R60 D220 V221 I222 V246 I248T56-I109 HydrophobicContact CG2-CD1 3.65Å; T56-I109 HydrophobicContact CG2-CG1 3.92Å; T56-I109 HydrophobicContact CG2-CG2 4.19Å; L57-I109 HydrophobicContact CD2-CD1 4.08Å; R60-I109 HydrophobicContact CB-CD1 4.31Å; I109-D220 PolarHBondContact N-O 3.08Å; I109-V221 HydrophobicContact CB-CG1 4.41Å; I109-V221 HydrophobicContact CB-CG2 4.26Å; I109-V221 HydrophobicContact CD1-CG2 4.08Å; I109-V221 HydrophobicContact CG2-CG1 4.27Å; I109-V221 CarbonylContact O-C 3.59Å; I109-V221 WeakPolarHBondContact O-CA 3.48Å; I109-I222 PolarHBondContact O-N 2.83Å; I109-V246 HydrophobicContact CG1-CB 4.47Å; I109-I248 HydrophobicContact CG2-CD1 4.1Å
110I96.3Very high77.9Confident1 Ų148.2 Ų48.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-104.2113.8171.8-67.4171.4000107.7M224 L229 I240 L242 A245 V246 I248I110-M224 HydrophobicContact CG1-CE 4.36Å; I110-M224 HydrophobicContact CG2-CE 3.65Å; I110-M224 HydrophobicContact CG2-CG 4.39Å; I110-M224 HydrophobicContact CG2-SD 3.91Å; I110-L229 HydrophobicContact CG2-CD2 4.06Å; I110-I240 HydrophobicContact CD1-CG2 3.94Å; I110-L242 HydrophobicContact CD1-CD2 3.44Å; I110-L242 VanDerWaalsContact CD1-CD2 3.44Å; I110-A245 HydrophobicContact CD1-CB 4.16Å; I110-V246 PolarHBondContact N-O 2.9Å; I110-I248 PolarHBondContact O-N 2.68Å
111Y96.8Very high80.3Confident2 Ų248.1 Ų48.11%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-105.1104.9178.8-162.7-68.4000109.3L52 L53 L119 V122 I222 F223 M224 I248 D250L52-Y111 HydrophobicContact CD2-CE2 3.91Å; L52-Y111 HydrophobicContact CG-CE2 4.3Å; L53-Y111 HydrophobicContact CD2-CD2 4.24Å; L53-Y111 HydrophobicContact CD2-CE2 4.04Å; Y111-L119 HydrophobicContact CD1-CD2 4.3Å; Y111-V122 HydrophobicContact CD1-CG1 4.29Å; Y111-V122 HydrophobicContact CE1-CB 4.38Å; Y111-V122 HydrophobicContact CE1-CG1 3.82Å; Y111-V122 HydrophobicContact CE1-CG2 3.82Å; Y111-V122 HydrophobicContact CE2-CG1 4.07Å; Y111-I222 PolarHBondContact N-O 3.45Å; Y111-F223 AromaticContact CD1-CD1 3.87Å; Y111-F223 HydrophobicContact CD1-CD1 3.87Å; Y111-F223 AromaticContact CD1-CE1 3.95Å; Y111-F223 HydrophobicContact CD1-CE1 3.95Å; Y111-F223 HydrophobicContact CD2-CE1 4.08Å; Y111-F223 AromaticContact CG-CD1 3.8Å; Y111-F223 HydrophobicContact CG-CD1 3.8Å; Y111-F223 AromaticContact CG-CE1 3.63Å; Y111-F223 HydrophobicContact CG-CE1 3.63Å; Y111-F223 WeakPolarHBondContact O-CA 3.41Å; Y111-M224 PolarHBondContact O-N 3.11Å; Y111-M224 VanDerWaalsContact O-N 3.09Å; Y111-I248 HydrophobicContact CD2-CB 4.47Å; Y111-I248 HydrophobicContact CD2-CD1 4.41Å; Y111-I248 HydrophobicContact CD2-CG2 4.16Å; Y111-I248 HydrophobicContact CE2-CG2 4.15Å; Y111-D250 HydrophobicContact CE1-CB 3.67Å; Y111-D250 WeakPolarHBondContact OH-CB 3.42Å; Y111-D250 PolarHBondContact OH-OD2 2.79Å
112A95.3Very high82.7Confident0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-98.8136179.300000111.2M224 L229 I248 F249 D250A112-M224 VanDerWaalsContact CA-O 3.29Å; A112-M224 WeakPolarHBondContact CA-O 3.25Å; A112-L229 HydrophobicContact CB-CD2 4.17Å; A112-I248 WeakPolarHBondContact CA-O 3.32Å; A112-I248 WeakPolarHBondContact CB-O 3.2Å; A112-I248 PolarHBondContact N-O 3.04Å; A112-F249 HydrophobicContact CB-CD1 3.91Å; A112-F249 HydrophobicContact CB-CE1 4.28Å; A112-F249 HydrophobicContact CB-CG 4.36Å; A112-F249 WeakPolarHBondContact O-CA 3.34Å; A112-D250 PolarHBondContact O-N 3.07Å
113S92.1Very high85Confident0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-138.1175.9171.8-163.70000111.1Q118 M224 P225 Y226S113-Q118 WeakPolarHBondContact OG-CB 3.4Å; S113-M224 PolarHBondContact N-O 2.76Å; S113-P225 CarbonylContact O-C 3.49Å; S113-P225 VanDerWaalsContact O-CA 3.28Å; S113-P225 WeakPolarHBondContact O-CA 3.33Å; S113-Y226 PolarHBondContact O-N 2.84Å
114R86Confident86.9Confident74 Ų7433.4 Ų33.428%0.27918%0.18SC..SBendtrans-76.5-31.8-175.6-180169.3169.4-160.4-9.5113.5Y226 N254 E630R114-Y226 HydrophobicContact CB-CD1 4.21Å; R114-Y226 HydrophobicContact CB-CE1 3.5Å; R114-Y226 VanDerWaalsContact CB-CE1 3.5Å; R114-Y226 HydrophobicContact CG-CE1 3.86Å; R114-Y226 WeakPolarHBondContact CG-OH 3.37Å; R114-N254 WeakPolarHBondContact CD-OD1 3.29Å; R114-N254 VanDerWaalsContact CZ-OD1 3.26Å; R114-N254 PolarHBondContact NE-OD1 3.18Å; R114-N254 PolarHBondContact NH1-OD1 3.32Å; R114-E630 IonicContact CZ-OE1 2.67Å; R114-E630 IonicContact CZ-OE2 2.66Å; R114-E630 IonicContact NH1-OE1 2.63Å; R114-E630 PolarHBondContact NH1-OE1 2.8Å; R114-E630 IonicContact NH1-OE2 2.7Å; R114-E630 PolarHBondContact NH1-OE2 2.73Å; R114-E630 VanDerWaalsContact NH2-CD 3.26Å; R114-E630 IonicContact NH2-OE1 3.03Å; R114-E630 PolarHBondContact NH2-OE1 3.4Å; R114-E630 IonicContact NH2-OE2 3.75Å; R114-E630 PolarHBondContact NH2-OE2 2.86Å
115T84.8Confident88.6Confident52 Ų5231.3 Ų31.332%0.31916%0.162SC..  trans-141.8157.6-175.861.50000112.9S117 Q118 L119T115-S117 VanDerWaalsContact C-N 3.32Å; T115-S117 PolarHBondContact O-N 3.47Å; T115-S117 PolarHBondContact OG1-OG 2.96Å; T115-S117 VanDerWaalsContact OG1-OG 3.12Å; T115-Q118 PolarHBondContact O-N 3.09Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.4Å; T115-Q118 PolarHBondContact OG1-N 2.78Å; T115-Q118 PolarHBondContact OG1-OE1 2.89Å; T115-L119 PolarHBondContact O-N 3.41Å
116H83.5Confident89.8Confident28 Ų2828.5 Ų28.513%0.1315%0.147CC..Hα-helixtrans-63.2-34.1173.6-79.8-89.3000113.6Q118 L119 A120 L138 G139 Q143 P225H116-Q118 VanDerWaalsContact C-N 3.29Å; H116-Q118 PolarHBondContact O-N 3.47Å; H116-L119 WeakPolarHBondContact O-CB 3.36Å; H116-L119 PolarHBondContact O-N 2.87Å; H116-L119 VanDerWaalsContact O-N 3.09Å; H116-A120 PolarHBondContact O-N 3.3Å; H116-L138 PolarHBondContact CE1-O 2.92Å; H116-G139 VanDerWaalsContact CE1-CA 3.46Å; H116-G139 WeakPolarHBondContact CE1-CA 3.24Å; H116-Q143 PolarHBondContact CD2-NE2 3.15Å; H116-Q143 PolarHBondContact NE2-NE2 2.92Å; H116-Q143 PolarHBondContact NE2-OE1 3.22Å; H116-P225 WeakPolarHBondContact NE2-CG 3.46Å
117S81.3Confident90.1Very high64 Ų6429.8 Ų29.845%0.44815%0.152SC..Hα-helixtrans-63.5-34.617645.90000112.4T115 Q121T115-S117 VanDerWaalsContact C-N 3.32Å; T115-S117 PolarHBondContact O-N 3.47Å; T115-S117 PolarHBondContact OG1-OG 2.96Å; T115-S117 VanDerWaalsContact OG1-OG 3.12Å; S117-Q121 WeakPolarHBondContact O-CG 3.22Å; S117-Q121 PolarHBondContact O-N 3.39Å; S117-Q121 VanDerWaalsContact O-N 3.1Å
118Q86Confident90.1Very high31 Ų3134.9 Ų34.915%0.14518%0.178CC..Hα-helixtrans-68.7-39.6170.5-70.2165.6-59.300112S113 T115 H116 A120 Q121 V122S113-Q118 WeakPolarHBondContact OG-CB 3.4Å; T115-Q118 PolarHBondContact O-N 3.09Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.4Å; T115-Q118 PolarHBondContact OG1-N 2.78Å; T115-Q118 PolarHBondContact OG1-OE1 2.89Å; H116-Q118 VanDerWaalsContact C-N 3.29Å; H116-Q118 PolarHBondContact O-N 3.47Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 3.41Å; Q118-Q121 WeakPolarHBondContact O-CB 3.43Å; Q118-Q121 PolarHBondContact O-N 2.89Å; Q118-V122 WeakPolarHBondContact O-CG2 3.42Å; Q118-V122 PolarHBondContact O-N 3.47Å
119L90.1Very high90Very high1 Ų133.3 Ų33.31%0.00517%0.172CC..Hα-helixtrans-63-40.6175.5-60.4172.7000111.4Y111 T115 H116 Q121 V122 I123 F223 M224 P225Y111-L119 HydrophobicContact CD1-CD2 4.3Å; T115-L119 PolarHBondContact O-N 3.41Å; H116-L119 WeakPolarHBondContact O-CB 3.36Å; H116-L119 PolarHBondContact O-N 2.87Å; H116-L119 VanDerWaalsContact O-N 3.09Å; L119-Q121 VanDerWaalsContact C-N 3.34Å; L119-Q121 PolarHBondContact O-N 3.13Å; L119-V122 PolarHBondContact O-N 2.97Å; L119-I123 WeakPolarHBondContact O-CB 3.32Å; L119-I123 WeakPolarHBondContact O-CD1 3.38Å; L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 2.94Å; L119-F223 HydrophobicContact CD2-CB 4.2Å; L119-F223 HydrophobicContact CD2-CD1 4.19Å; L119-M224 VanDerWaalsContact CD1-C 3.45Å; L119-P225 HydrophobicContact CD1-CG 4.34Å
120A89.1Confident89.7Confident18 Ų1835.8 Ų35.815%0.14919%0.189CC..Hα-helixtrans-62.2-38.9173.500000112.2H116 Q118 I123 N124H116-A120 PolarHBondContact O-N 3.3Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 3.41Å; A120-I123 PolarHBondContact O-N 3.25Å; A120-N124 WeakPolarHBondContact O-CB 3.3Å; A120-N124 PolarHBondContact O-N 2.86Å; A120-N124 PolarHBondContact O-ND2 3.41Å; A120-N124 VanDerWaalsContact O-ND2 3.11Å
121Q87.3Confident89.4Confident111 Ų11135.9 Ų35.952%0.51919%0.19SC..Hα-helixtrans-61.5-47171.3-71.5167.8-14.100111.7S117 Q118 L119 I123 N124 E125S117-Q121 WeakPolarHBondContact O-CG 3.22Å; S117-Q121 PolarHBondContact O-N 3.39Å; S117-Q121 VanDerWaalsContact O-N 3.1Å; Q118-Q121 WeakPolarHBondContact O-CB 3.43Å; Q118-Q121 PolarHBondContact O-N 2.89Å; L119-Q121 VanDerWaalsContact C-N 3.34Å; L119-Q121 PolarHBondContact O-N 3.13Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 3.43Å; Q121-N124 PolarHBondContact O-N 3.18Å; Q121-E125 PolarHBondContact O-N 3.32Å
122V91.3Very high89.1Confident4 Ų442.7 Ų42.72%0.02422%0.215CC..Hα-helixtrans-61.5-40177.6179.20000111.6T49 L53 Y111 Q118 L119 E125 L126 F223T49-V122 HydrophobicContact CG2-CB 3.97Å; T49-V122 HydrophobicContact CG2-CG1 3.8Å; T49-V122 HydrophobicContact CG2-CG2 3.58Å; L53-V122 HydrophobicContact CD1-CG1 3.95Å; L53-V122 HydrophobicContact CD2-CG1 4.03Å; L53-V122 HydrophobicContact CG-CG1 4.29Å; Y111-V122 HydrophobicContact CD1-CG1 4.29Å; Y111-V122 HydrophobicContact CE1-CB 4.38Å; Y111-V122 HydrophobicContact CE1-CG1 3.82Å; Y111-V122 HydrophobicContact CE1-CG2 3.82Å; Y111-V122 HydrophobicContact CE2-CG1 4.07Å; Q118-V122 WeakPolarHBondContact O-CG2 3.42Å; Q118-V122 PolarHBondContact O-N 3.47Å; L119-V122 PolarHBondContact O-N 2.97Å; V122-E125 PolarHBondContact O-N 2.88Å; V122-L126 WeakPolarHBondContact O-CB 3.42Å; V122-L126 PolarHBondContact O-N 3.48Å; V122-F223 HydrophobicContact CB-CE1 4.4Å; V122-F223 HydrophobicContact CG1-CD1 4.33Å; V122-F223 HydrophobicContact CG1-CE1 3.54Å; V122-F223 HydrophobicContact CG1-CZ 4.22Å
123I91.8Very high88.9Confident1 Ų143.2 Ų43.21%0.00522%0.219CC..Hα-helixtrans-68.5-38.2177.2-69.3162.4000111L119 A120 Q121 L126 K127 V137 I191 D193 F223L119-I123 WeakPolarHBondContact O-CB 3.32Å; L119-I123 WeakPolarHBondContact O-CD1 3.38Å; L119-I123 WeakPolarHBondContact O-CG1 3.44Å; L119-I123 PolarHBondContact O-N 2.94Å; A120-I123 PolarHBondContact O-N 3.25Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 3.43Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 3.18Å; I123-K127 HydrophobicContact CG2-CD 4.27Å; I123-K127 WeakPolarHBondContact O-CG 3.44Å; I123-K127 PolarHBondContact O-N 3.09Å; I123-V137 HydrophobicContact CD1-CG2 3.49Å; I123-V137 VanDerWaalsContact CD1-CG2 3.49Å; I123-I191 HydrophobicContact CG2-CG2 3.79Å; I123-D193 HydrophobicContact CD1-CB 3.97Å; I123-D193 HydrophobicContact CG2-CB 4.15Å; I123-F223 HydrophobicContact CD1-CB 4.46Å; I123-F223 HydrophobicContact CD1-CD2 3.99Å; I123-F223 HydrophobicContact CD1-CE2 4.48Å; I123-F223 HydrophobicContact CD1-CG 4.19Å; I123-F223 HydrophobicContact CG1-CD1 4.49Å; I123-F223 HydrophobicContact CG1-CD2 3.81Å; I123-F223 HydrophobicContact CG1-CE2 3.81Å; I123-F223 HydrophobicContact CG1-CG 4.16Å; I123-F223 HydrophobicContact CG1-CZ 4.18Å
124N90.2Very high88.9Confident60 Ų6045.5 Ų45.532%0.32123%0.229SC..Hα-helixtrans-69.9-32.8173-77-43.8000112.8A120 Q121 K127 N128A120-N124 WeakPolarHBondContact O-CB 3.3Å; A120-N124 PolarHBondContact O-N 2.86Å; A120-N124 PolarHBondContact O-ND2 3.41Å; A120-N124 VanDerWaalsContact O-ND2 3.11Å; Q121-N124 PolarHBondContact O-N 3.18Å; N124-K127 VanDerWaalsContact OD1-CD 3.25Å; N124-K127 WeakPolarHBondContact OD1-CD 3.37Å; N124-N128 PolarHBondContact O-N 3.24Å; N124-N128 PolarHBondContact O-ND2 3.13Å
125E89.9Confident89.2Confident68 Ų6842.6 Ų42.632%0.31822%0.219SC..Hα-helixtrans-63.6-42.6166.2-75.9-166.8-162.700111.6T49 L50 L53 Q121 V122 N128T49-E125 VanDerWaalsContact CB-OE2 3.25Å; T49-E125 WeakPolarHBondContact CB-OE2 3.26Å; T49-E125 WeakPolarHBondContact CG2-OE2 3.33Å; L50-E125 WeakPolarHBondContact CA-OE2 3.46Å; L50-E125 WeakPolarHBondContact CB-OE2 3.32Å; L50-E125 HydrophobicContact CD1-CB 4.42Å; L50-E125 PolarHBondContact N-OE2 3.3Å; L53-E125 HydrophobicContact CD1-CB 4.25Å; Q121-E125 PolarHBondContact O-N 3.32Å; V122-E125 PolarHBondContact O-N 2.88Å; E125-N128 WeakPolarHBondContact O-CB 3.35Å; E125-N128 PolarHBondContact O-N 2.87Å; E125-N128 VanDerWaalsContact O-N 3.16Å
126L92.3Very high89.5Confident0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-62-45177.6-179.162.1000112.6L53 L57 V122 I123 N128 T129 P133 V135 I191 F223L53-L126 HydrophobicContact CD1-CB 4.06Å; L57-L126 HydrophobicContact CD1-CD1 3.43Å; L57-L126 VanDerWaalsContact CD1-CD1 3.43Å; V122-L126 WeakPolarHBondContact O-CB 3.42Å; V122-L126 PolarHBondContact O-N 3.48Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 3.18Å; L126-N128 PolarHBondContact O-N 3.06Å; L126-N128 VanDerWaalsContact O-N 3.14Å; L126-T129 PolarHBondContact O-N 2.79Å; L126-T129 PolarHBondContact O-OG1 3.4Å; L126-P133 HydrophobicContact CD1-CG 4.31Å; L126-P133 HydrophobicContact CD2-CG 4.13Å; L126-V135 HydrophobicContact CD2-CG2 3.77Å; L126-I191 HydrophobicContact CD2-CD1 4.37Å; L126-I191 HydrophobicContact CD2-CG2 4.23Å; L126-I191 HydrophobicContact CG-CD1 4.23Å; L126-F223 HydrophobicContact CD2-CE2 4.19Å; L126-F223 HydrophobicContact CD2-CZ 4.12Å
127K90.6Very high90Very high55 Ų5539.1 Ų39.124%0.23920%0.2CC..Hα-helixtrans-51.4-34174.4-76.5163.3170176.70111.4I123 N124 R132 I191 D193 D196I123-K127 HydrophobicContact CG2-CD 4.27Å; I123-K127 WeakPolarHBondContact O-CG 3.44Å; I123-K127 PolarHBondContact O-N 3.09Å; N124-K127 VanDerWaalsContact OD1-CD 3.25Å; N124-K127 WeakPolarHBondContact OD1-CD 3.37Å; K127-R132 PolarHBondContact O-NH2 3.17Å; K127-R132 VanDerWaalsContact O-NH2 3.12Å; K127-I191 WeakPolarHBondContact CE-O 3.49Å; K127-I191 HydrophobicContact CG-CB 4.23Å; K127-I191 HydrophobicContact CG-CG2 3.81Å; K127-D193 IonicContact NZ-OD2 3.43Å; K127-D193 PolarHBondContact NZ-OD2 2.9Å; K127-D196 IonicContact NZ-OD2 3.29Å; K127-D196 PolarHBondContact NZ-OD2 2.87Å
128N88.4Confident90.5Very high122 Ų12236.1 Ų36.165%0.65218%0.179SC*.THydrogen-bonded Turntrans-81.6-6.9178.3-73.8-60.9000115.7N124 E125 L126N124-N128 PolarHBondContact O-N 3.24Å; N124-N128 PolarHBondContact O-ND2 3.13Å; E125-N128 WeakPolarHBondContact O-CB 3.35Å; E125-N128 PolarHBondContact O-N 2.87Å; E125-N128 VanDerWaalsContact O-N 3.16Å; L126-N128 PolarHBondContact O-N 3.06Å; L126-N128 VanDerWaalsContact O-N 3.14Å
129T90.3Very high90.5Very high3 Ų334.7 Ų34.72%0.01817%0.172CC..SBendtrans-85.2173.4175.871.80000112.6P14 L50 L126 Y131 R132P14-T129 HydrophobicContact CG-CG2 4.35Å; L50-T129 HydrophobicContact CD1-CG2 3.7Å; L126-T129 PolarHBondContact O-N 2.79Å; L126-T129 PolarHBondContact O-OG1 3.4Å; T129-Y131 HydrophobicContact CG2-CD2 4.39Å; T129-Y131 PolarHBondContact OG1-N 3.31Å; T129-R132 PolarHBondContact O-NH1 3.21Å
130S89.9Confident90.4Very high56 Ų5635.7 Ų35.739%0.39218%0.179SC..SBendtrans-77.7-16.2167.452.80000114.2
131Y90.8Very high90.3Very high3 Ų336.1 Ų36.11%0.01218%0.177CC..  trans-76.7140.9-174.7-55.2-78000111.1N12 C54 L57 A58 E61 T129 P133N12-Y131 WeakPolarHBondContact CA-OH 3.31Å; N12-Y131 WeakPolarHBondContact CB-OH 3.46Å; N12-Y131 PolarHBondContact N-OH 3.27Å; N12-Y131 WeakPolarHBondContact O-CE2 3.46Å; N12-Y131 PolarHBondContact O-OH 2.93Å; C54-Y131 HydrophobicContact CB-CE2 3.89Å; L57-Y131 HydrophobicContact CB-CD1 3.91Å; L57-Y131 HydrophobicContact CB-CD2 4.26Å; L57-Y131 HydrophobicContact CB-CE1 4.31Å; L57-Y131 HydrophobicContact CB-CG 3.89Å; L57-Y131 HydrophobicContact CD1-CD2 4.19Å; L57-Y131 HydrophobicContact CD1-CG 4.03Å; A58-Y131 HydrophobicContact CB-CE1 4.18Å; E61-Y131 WeakPolarHBondContact OE2-CD1 3.33Å; E61-Y131 WeakPolarHBondContact OE2-CE1 3.5Å; T129-Y131 HydrophobicContact CG2-CD2 4.39Å; T129-Y131 PolarHBondContact OG1-N 3.31Å; Y131-P133 VanDerWaalsContact C-CD 3.42Å
132R90.8Very high90.1Very high146 Ų14634.4 Ų34.455%0.55117%0.169SC*.  trans-128.764.8176-64.6-65.4177.1-98.79.6111K127 T129K127-R132 PolarHBondContact O-NH2 3.17Å; K127-R132 VanDerWaalsContact O-NH2 3.12Å; T129-R132 PolarHBondContact O-NH1 3.21Å
133P91.5Very high89.9Confident11 Ų1137.8 Ų37.87%0.07119%0.185CC..  trans-70.3155.6173.232.9-36.1000110.8L57 L126 Y131 V135 D220 V221L57-P133 HydrophobicContact CD1-CG 4.18Å; L57-P133 HydrophobicContact CD2-CB 3.92Å; L57-P133 HydrophobicContact CD2-CG 3.86Å; L126-P133 HydrophobicContact CD1-CG 4.31Å; L126-P133 HydrophobicContact CD2-CG 4.13Å; Y131-P133 VanDerWaalsContact C-CD 3.42Å; P133-V135 HydrophobicContact CG-CG2 4.23Å; P133-V135 PolarHBondContact O-N 3.37Å; P133-D220 WeakPolarHBondContact CA-OD2 3.38Å; P133-D220 HydrophobicContact CB-CB 3.89Å; P133-V221 HydrophobicContact CB-CG2 4.11Å; P133-V221 HydrophobicContact CG-CG2 4.22Å
134K91.5Very high89.9Confident48 Ų4837.7 Ų37.721%0.20918%0.184CC..  trans-68.7122.2166.7-66.5-176.4176.4-172.50110.1V188 Q218 D220 V221K134-V188 HydrophobicContact CD-CG1 3.83Å; K134-V188 HydrophobicContact CG-CG1 4.28Å; K134-Q218 HydrophobicContact CD-CB 4.42Å; K134-Q218 WeakPolarHBondContact CD-O 3.34Å; K134-D220 HydrophobicContact CB-CB 4.38Å; K134-D220 PolarHBondContact N-OD2 3.47Å; K134-D220 WeakPolarHBondContact O-CB 3.22Å; K134-D220 PolarHBondContact O-N 3.5Å; K134-V221 PolarHBondContact O-N 2.73Å; K134-V221 VanDerWaalsContact O-N 3.14Å
135V91.9Very high89.9Confident13 Ų1335.6 Ų35.68%0.07917%0.174CC..EExtended strand (participates in β ladder)trans-110139.9-174.1171.60000111.6L126 P133 V137 I191 F223L126-V135 HydrophobicContact CD2-CG2 3.77Å; P133-V135 HydrophobicContact CG-CG2 4.23Å; P133-V135 PolarHBondContact O-N 3.37Å; V135-V137 HydrophobicContact CG1-CG2 4.38Å; V135-I191 HydrophobicContact CG2-CG1 4.2Å; V135-I191 HydrophobicContact CG2-CG2 4.23Å; V135-F223 HydrophobicContact CG1-CD2 3.67Å; V135-F223 HydrophobicContact CG1-CE2 3.67Å; V135-F223 HydrophobicContact CG2-CE2 4.2Å
136C92Very high90.1Very high3 Ų333.3 Ų33.32%0.0216%0.164CC..EExtended strand (participates in β ladder)trans-128.4142.6166.7171.50000109.8S212 A219 V221 I222 F223C136-S212 PolarHBondContact SG-O 3.34Å; C136-A219 HydrophobicContact CB-CB 3.58Å; C136-V221 PolarHBondContact N-O 2.74Å; C136-I222 WeakPolarHBondContact O-CA 3.45Å; C136-F223 PolarHBondContact O-N 2.65Å
137V92.6Very high90Very high3 Ų334 Ų342%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-121.2123.6171.3-1670000109.6I123 V135 L192 V194 L197 S212 F223I123-V137 HydrophobicContact CD1-CG2 3.49Å; I123-V137 VanDerWaalsContact CD1-CG2 3.49Å; V135-V137 HydrophobicContact CG1-CG2 4.38Å; V137-L192 VanDerWaalsContact CG2-O 3.3Å; V137-L192 WeakPolarHBondContact CG2-O 3.39Å; V137-V194 HydrophobicContact CG1-CG2 3.75Å; V137-L197 HydrophobicContact CB-CD1 4.47Å; V137-S212 WeakPolarHBondContact O-CB 3.18Å; V137-F223 WeakPolarHBondContact CA-O 3.29Å; V137-F223 HydrophobicContact CG1-CB 4.23Å; V137-F223 HydrophobicContact CG2-CB 4.25Å; V137-F223 HydrophobicContact CG2-CD2 4.42Å
138L91.3Very high89.9Confident1 Ų137.7 Ų37.71%0.00519%0.186CC..  trans-97.8127.6175.2-59.3-176.7000110.2H116 K216 I222 F223 M224 Y228 H238 I240H116-L138 PolarHBondContact CE1-O 2.92Å; L138-K216 HydrophobicContact CD1-CD 4.24Å; L138-K216 HydrophobicContact CD2-CB 4.47Å; L138-K216 HydrophobicContact CD2-CD 4.45Å; L138-K216 HydrophobicContact CD2-CG 4.39Å; L138-I222 HydrophobicContact CD1-CG2 3.97Å; L138-I222 HydrophobicContact CG-CG2 3.97Å; L138-F223 PolarHBondContact N-O 3.3Å; L138-M224 HydrophobicContact CB-CB 4.26Å; L138-M224 HydrophobicContact CD1-CE 4.11Å; L138-Y228 HydrophobicContact CB-CD2 4.28Å; L138-Y228 HydrophobicContact CB-CE2 4.45Å; L138-H238 HydrophobicContact CD1-CB 4.37Å; L138-I240 HydrophobicContact CD1-CD1 4.36Å; L138-I240 HydrophobicContact CD1-CG1 4.42Å
139G87.6Confident89.6Confident1 Ų137 Ų371%0.0118%0.178CC..  trans-140.5-177.6176.400000112.9H116 Y228H116-G139 VanDerWaalsContact CE1-CA 3.46Å; H116-G139 WeakPolarHBondContact CE1-CA 3.24Å; G139-Y228 VanDerWaalsContact C-OH 3.22Å; G139-Y228 PolarHBondContact O-OH 2.99Å
140S87.1Confident89.4Confident22 Ų2237 Ų3715%0.15418%0.179CC..  trans-81.7165.5-176.190.90000111.9E142 Q143 L144 Y228S140-E142 PolarHBondContact O-N 2.7Å; S140-E142 WeakPolarHBondContact OG-CB 3.44Å; S140-E142 PolarHBondContact OG-N 3.28Å; S140-Q143 PolarHBondContact O-N 3.38Å; S140-Q143 PolarHBondContact OG-N 2.82Å; S140-Q143 PolarHBondContact OG-OE1 3.22Å; S140-L144 PolarHBondContact O-N 3.34Å; S140-Y228 VanDerWaalsContact CA-OH 3.24Å; S140-Y228 WeakPolarHBondContact CA-OH 3.41Å; S140-Y228 WeakPolarHBondContact CB-OH 3.28Å; S140-Y228 PolarHBondContact N-OH 3.14Å; S140-Y228 VanDerWaalsContact N-OH 3.1Å
141R86.8Confident89.2Confident28 Ų2837.2 Ų37.211%0.10617%0.174CC..Hα-helixtrans-65-21.1170.1-75.6-178.5176.872.83.1112.7Q143 C145 C163 Y209 Y210R141-Q143 VanDerWaalsContact C-N 3.27Å; R141-Q143 PolarHBondContact O-N 2.95Å; R141-C145 WeakPolarHBondContact O-CB 3.4Å; R141-C145 PolarHBondContact O-N 3.22Å; R141-C163 PolarHBondContact NE-SG 3.32Å; R141-Y209 HydrophobicContact CG-CD1 4.27Å; R141-Y209 HydrophobicContact CG-CD2 3.83Å; R141-Y209 HydrophobicContact CG-CE1 4.37Å; R141-Y209 HydrophobicContact CG-CE2 3.93Å; R141-Y209 HydrophobicContact CG-CG 4.03Å; R141-Y209 VanDerWaalsContact CZ-CE1 3.43Å; R141-Y209 PolarHBondContact NH1-OH 2.88Å; R141-Y209 VanDerWaalsContact NH2-CE1 3.27Å; R141-Y210 PolarHBondContact NH2-OH 3.38Å
142E84.5Confident88.8Confident74 Ų7447.2 Ų47.235%0.34621%0.212SC..Hα-helixtrans-76.2-17.6176.7-47-167.3101.300113S140 M151 N156 K159S140-E142 PolarHBondContact O-N 2.7Å; S140-E142 WeakPolarHBondContact OG-CB 3.44Å; S140-E142 PolarHBondContact OG-N 3.28Å; E142-M151 VanDerWaalsContact O-CE 3.27Å; E142-M151 WeakPolarHBondContact O-CE 3.45Å; E142-N156 VanDerWaalsContact CD-CG 3.42Å; E142-N156 WeakPolarHBondContact CG-OD1 3.42Å; E142-N156 PolarHBondContact OE1-ND2 2.77Å; E142-N156 PolarHBondContact OE2-ND2 3.15Å; E142-N156 PolarHBondContact OE2-OD1 2.79Å; E142-K159 HydrophobicContact CG-CD 3.96Å; E142-K159 IonicContact OE1-NZ 2.69Å; E142-K159 PolarHBondContact OE1-NZ 3.21Å
143Q86.4Confident88.2Confident75 Ų7542.3 Ų42.335%0.3520%0.195SC..Hα-helixtrans-103.3-36.3179.9-65.4157.7-32.500111.6H116 S140 R141 V194 V198H116-Q143 PolarHBondContact CD2-NE2 3.15Å; H116-Q143 PolarHBondContact NE2-NE2 2.92Å; H116-Q143 PolarHBondContact NE2-OE1 3.22Å; S140-Q143 PolarHBondContact O-N 3.38Å; S140-Q143 PolarHBondContact OG-N 2.82Å; S140-Q143 PolarHBondContact OG-OE1 3.22Å; R141-Q143 VanDerWaalsContact C-N 3.27Å; R141-Q143 PolarHBondContact O-N 2.95Å; Q143-V194 HydrophobicContact CB-CG1 4.02Å; Q143-V198 VanDerWaalsContact O-CG2 3.3Å; Q143-V198 WeakPolarHBondContact O-CG2 3.43Å
144L90.6Very high87.3Confident0 Ų049.7 Ų49.70%023%0.229CC..Hα-helixtrans-109.26.9-171-68.3172.7000114.4S140 V194 L197 V198 P208 Y209S140-L144 PolarHBondContact O-N 3.34Å; L144-V194 HydrophobicContact CD2-CG1 3.84Å; L144-V194 HydrophobicContact CG-CG1 4.33Å; L144-L197 HydrophobicContact CD2-CB 4.3Å; L144-V198 HydrophobicContact CD2-CG2 4.3Å; L144-P208 HydrophobicContact CB-CB 4.18Å; L144-P208 HydrophobicContact CD2-CB 3.85Å; L144-P208 WeakPolarHBondContact O-CB 3.21Å; L144-P208 WeakPolarHBondContact O-CD 3.32Å; L144-Y209 HydrophobicContact CB-CD2 4.35Å; L144-Y209 HydrophobicContact CD1-CD2 4.42Å; L144-Y209 PolarHBondContact O-N 3.3Å
145C92.3Very high86.2Confident16 Ų1649.6 Ų49.611%0.10823%0.234CC..  trans-98.9125.3175-169.30000111.5R141 M151R141-C145 WeakPolarHBondContact O-CB 3.4Å; R141-C145 PolarHBondContact O-N 3.22Å; C145-M151 HydrophobicContact CB-CG 4.22Å; C145-M151 HydrophobicContact CB-SD 3.92Å; C145-M151 WeakPolarHBondContact O-CG 3.25Å
146I93.2Very high85.3Confident20 Ų2052.1 Ų52.110%0.10325%0.247CC..  trans-1043.9176.461.1176.8000112.9Q148 F174 V198 G201 N202 P208I146-Q148 PolarHBondContact O-N 3.02Å; I146-F174 HydrophobicContact CD1-CD1 3.47Å; I146-F174 VanDerWaalsContact CD1-CD1 3.47Å; I146-F174 HydrophobicContact CD1-CE1 3.71Å; I146-F174 HydrophobicContact CD1-CG 4Å; I146-F174 HydrophobicContact CD1-CZ 4.42Å; I146-F174 HydrophobicContact CG1-CD1 3.88Å; I146-F174 HydrophobicContact CG1-CD2 4.21Å; I146-F174 HydrophobicContact CG1-CE1 4.03Å; I146-F174 HydrophobicContact CG1-CE2 4.37Å; I146-F174 HydrophobicContact CG1-CG 3.96Å; I146-F174 HydrophobicContact CG1-CZ 4.27Å; I146-V198 HydrophobicContact CG2-CG1 4.05Å; I146-G201 WeakPolarHBondContact CD1-O 3.3Å; I146-N202 WeakPolarHBondContact CB-OD1 3.46Å; I146-N202 WeakPolarHBondContact CG2-OD1 3.39Å; I146-P208 HydrophobicContact CG2-CG 4.12Å
147N90.6Very high84.3Confident14 Ų1455.6 Ų55.68%0.07526%0.263CS..  trans-85.5110.1176.4-175.3-67.6000110.1E149 V150 M151 F174N147-E149 VanDerWaalsContact C-N 3.33Å; N147-E149 PolarHBondContact O-N 3.18Å; N147-E149 WeakPolarHBondContact OD1-CB 3.37Å; N147-E149 PolarHBondContact OD1-N 3.27Å; N147-V150 HydrophobicContact CB-CB 4.4Å; N147-V150 HydrophobicContact CB-CG2 4.13Å; N147-V150 PolarHBondContact O-N 3.17Å; N147-V150 VanDerWaalsContact O-N 3.13Å; N147-V150 PolarHBondContact OD1-N 2.72Å; N147-M151 PolarHBondContact O-N 2.81Å; N147-F174 HydrophobicContact CB-CD2 4.09Å; N147-F174 HydrophobicContact CB-CE2 4.08Å
148Q87.4Confident83.4Confident133 Ų13357.2 Ų57.262%0.62127%0.271SS*.Hα-helixtrans-59.8-36.9-174.2-66.6-69.524.800113.8I146 V150 M151 R152I146-Q148 PolarHBondContact O-N 3.02Å; Q148-V150 VanDerWaalsContact C-N 3.29Å; Q148-V150 PolarHBondContact O-N 2.96Å; Q148-M151 PolarHBondContact O-N 3.24Å; Q148-R152 WeakPolarHBondContact O-CB 3.29Å; Q148-R152 PolarHBondContact O-N 3.09Å
149E83.6Confident82.9Confident106 Ų10658 Ų5850%0.49528%0.275SS..Hα-helixtrans-63.3-36.7178.2-60167.8-94.300112.1N147 M162 K166N147-E149 VanDerWaalsContact C-N 3.33Å; N147-E149 PolarHBondContact O-N 3.18Å; N147-E149 WeakPolarHBondContact OD1-CB 3.37Å; N147-E149 PolarHBondContact OD1-N 3.27Å; E149-M162 VanDerWaalsContact C-CE 3.49Å; E149-M162 HydrophobicContact CB-CE 3.91Å; E149-M162 WeakPolarHBondContact O-CE 3.49Å; E149-K166 IonicContact OE1-NZ 3.83Å; E149-K166 PolarHBondContact OE1-NZ 2.98Å; E149-K166 IonicContact OE2-NZ 3.83Å; E149-K166 PolarHBondContact OE2-NZ 3.17Å
150V85.1Confident82.7Confident4 Ų460 Ų602%0.02429%0.286CS..Hα-helixtrans-70.6-44.8174-179.20000110.1N147 Q148 R152 Q153 K159 M162 C163N147-V150 HydrophobicContact CB-CB 4.4Å; N147-V150 HydrophobicContact CB-CG2 4.13Å; N147-V150 PolarHBondContact O-N 3.17Å; N147-V150 VanDerWaalsContact O-N 3.13Å; N147-V150 PolarHBondContact OD1-N 2.72Å; Q148-V150 VanDerWaalsContact C-N 3.29Å; Q148-V150 PolarHBondContact O-N 2.96Å; V150-R152 VanDerWaalsContact C-N 3.31Å; V150-R152 PolarHBondContact O-N 3.41Å; V150-Q153 PolarHBondContact O-N 2.88Å; V150-K159 HydrophobicContact CG1-CB 4.08Å; V150-K159 HydrophobicContact CG1-CG 4.5Å; V150-M162 HydrophobicContact CB-CE 4.29Å; V150-M162 HydrophobicContact CG2-CE 3.73Å; V150-C163 HydrophobicContact CG1-CB 4.34Å
151M85.6Confident82.2Confident60 Ų6061.3 Ų61.330%0.29629%0.29SS..Hα-helixtrans-69.2-25.3-177.3-72.5-59.6-73.100113.9E142 C145 N147 Q148 Q153E142-M151 VanDerWaalsContact O-CE 3.27Å; E142-M151 WeakPolarHBondContact O-CE 3.45Å; C145-M151 HydrophobicContact CB-CG 4.22Å; C145-M151 HydrophobicContact CB-SD 3.92Å; C145-M151 WeakPolarHBondContact O-CG 3.25Å; N147-M151 PolarHBondContact O-N 2.81Å; Q148-M151 PolarHBondContact O-N 3.24Å; M151-Q153 PolarHBondContact O-N 2.77Å
152R83.4Confident81.8Confident213 Ų21362.2 Ų62.280%0.80430%0.296SS*.THydrogen-bonded Turntrans-71.2-7.6175.4-148.8-171.179.7168.23114.4Q148 V150Q148-R152 WeakPolarHBondContact O-CB 3.29Å; Q148-R152 PolarHBondContact O-N 3.09Å; V150-R152 VanDerWaalsContact C-N 3.31Å; V150-R152 PolarHBondContact O-N 3.41Å
153Q78Confident81.9Confident43 Ų4359.2 Ų59.220%0.20128%0.283CS..  trans-81.9137.1174.9-58-62.4-18.700109.9V150 M151 I158 K159V150-Q153 PolarHBondContact O-N 2.88Å; M151-Q153 PolarHBondContact O-N 2.77Å; Q153-I158 HydrophobicContact CB-CB 4.42Å; Q153-I158 HydrophobicContact CB-CG2 4.12Å; Q153-I158 HydrophobicContact CG-CG2 3.89Å; Q153-K159 HydrophobicContact CB-CG 4.1Å; Q153-K159 WeakPolarHBondContact O-CE 3.39Å
154E71.1Confident81.8Confident166 Ų16662.5 Ų62.578%0.77629%0.292SS*.SBendtrans-77.6-43.4-178.9-65.4176.5173.800112
155S69Low81.3Confident47 Ų4764 Ų6433%0.32931%0.307SS..SBendtrans-80.8127.4-1761760000113.3H157 I158 K159S155-H157 PolarHBondContact O-N 2.83Å; S155-H157 PolarHBondContact OG-N 2.86Å; S155-I158 PolarHBondContact O-N 3.46Å; S155-I158 VanDerWaalsContact O-N 3.08Å; S155-K159 PolarHBondContact O-N 3.32Å
156N73.7Confident81Confident65 Ų6564.9 Ų64.935%0.34831%0.309SS..Hα-helixtrans-50.6-38.7173.6-109.6-52.4000113.6E142 K159 V160E142-N156 VanDerWaalsContact CD-CG 3.42Å; E142-N156 WeakPolarHBondContact CG-OD1 3.42Å; E142-N156 PolarHBondContact OE1-ND2 2.77Å; E142-N156 PolarHBondContact OE2-ND2 3.15Å; E142-N156 PolarHBondContact OE2-OD1 2.79Å; N156-K159 WeakPolarHBondContact O-CB 3.4Å; N156-K159 PolarHBondContact O-N 3.33Å; N156-V160 WeakPolarHBondContact O-CG2 3.2Å; N156-V160 PolarHBondContact O-N 3.18Å
157H70.8Confident80.7Confident77 Ų7765 Ų6536%0.35631%0.311SS..Hα-helixtrans-68.8-38.6-178.7-60.6-87.7000111.5S155 V160 H161S155-H157 PolarHBondContact O-N 2.83Å; S155-H157 PolarHBondContact OG-N 2.86Å; H157-V160 PolarHBondContact O-N 2.76Å; H157-H161 PolarHBondContact O-N 2.96Å
158I73.3Confident80.3Confident37 Ų3769.3 Ų69.319%0.1934%0.342CS..Hα-helixtrans-67.2-42.4175-55.8178.2000109.9Q153 S155 V160 H161 M162 F383Q153-I158 HydrophobicContact CB-CB 4.42Å; Q153-I158 HydrophobicContact CB-CG2 4.12Å; Q153-I158 HydrophobicContact CG-CG2 3.89Å; S155-I158 PolarHBondContact O-N 3.46Å; S155-I158 VanDerWaalsContact O-N 3.08Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 2.81Å; I158-H161 PolarHBondContact O-N 2.92Å; I158-M162 WeakPolarHBondContact O-CB 3.43Å; I158-M162 PolarHBondContact O-N 3.25Å; I158-F383 HydrophobicContact CD1-CD1 4.44Å
159K81.4Confident80.2Confident18 Ų1867.6 Ų67.68%0.07834%0.341CS..Hα-helixtrans-54.9-46.3172.6-63.2179-174.2176.80111.7E142 V150 Q153 S155 N156 C163E142-K159 HydrophobicContact CG-CD 3.96Å; E142-K159 IonicContact OE1-NZ 2.69Å; E142-K159 PolarHBondContact OE1-NZ 3.21Å; V150-K159 HydrophobicContact CG1-CB 4.08Å; V150-K159 HydrophobicContact CG1-CG 4.5Å; Q153-K159 HydrophobicContact CB-CG 4.1Å; Q153-K159 WeakPolarHBondContact O-CE 3.39Å; S155-K159 PolarHBondContact O-N 3.32Å; N156-K159 WeakPolarHBondContact O-CB 3.4Å; N156-K159 PolarHBondContact O-N 3.33Å; K159-C163 WeakPolarHBondContact O-CB 3.27Å; K159-C163 PolarHBondContact O-N 3.23Å; K159-C163 VanDerWaalsContact O-N 3.12Å
160V82.3Confident80.3Confident42 Ų4271.8 Ų71.826%0.25535%0.352SS..Hα-helixtrans-65.5-47178.81720000111.5N156 H157 I158 R164N156-V160 WeakPolarHBondContact O-CG2 3.2Å; N156-V160 PolarHBondContact O-N 3.18Å; H157-V160 PolarHBondContact O-N 2.76Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 2.81Å; V160-R164 WeakPolarHBondContact O-CG 3.3Å; V160-R164 PolarHBondContact O-N 3.22Å
161H77Confident80.4Confident49 Ų4974.6 Ų74.623%0.22737%0.372CS..Hα-helixtrans-67.8-50.2-177.7-168.9-103.9000112.4H157 I158 C163 R164 G165 G374 A377H157-H161 PolarHBondContact O-N 2.96Å; I158-H161 PolarHBondContact O-N 2.92Å; H161-C163 VanDerWaalsContact C-N 3.25Å; H161-C163 PolarHBondContact O-N 2.9Å; H161-R164 WeakPolarHBondContact O-CA 3.49Å; H161-R164 WeakPolarHBondContact O-CB 3.25Å; H161-R164 PolarHBondContact O-N 3.42Å; H161-G165 PolarHBondContact O-N 3.03Å; H161-G374 PolarHBondContact CE1-O 3.09Å; H161-G374 PolarHBondContact NE2-O 2.97Å; H161-A377 HydrophobicContact CB-CB 3.76Å; H161-A377 VanDerWaalsContact CG-CB 3.43Å; H161-A377 VanDerWaalsContact ND1-CB 3.28Å; H161-A377 WeakPolarHBondContact ND1-CB 3.43Å; H161-A377 PolarHBondContact ND1-O 3.46Å
162M79.1Confident80.6Confident48 Ų4872.3 Ų72.324%0.23636%0.362CS..Hα-helixtrans-64.3-32.9-179.5-156.2-178.483.100111.7E149 V150 I158 G165 K166E149-M162 VanDerWaalsContact C-CE 3.49Å; E149-M162 HydrophobicContact CB-CE 3.91Å; E149-M162 WeakPolarHBondContact O-CE 3.49Å; V150-M162 HydrophobicContact CB-CE 4.29Å; V150-M162 HydrophobicContact CG2-CE 3.73Å; I158-M162 WeakPolarHBondContact O-CB 3.43Å; I158-M162 PolarHBondContact O-N 3.25Å; M162-G165 PolarHBondContact O-N 3.42Å; M162-K166 WeakPolarHBondContact O-CB 3.4Å; M162-K166 WeakPolarHBondContact O-CG 3.47Å; M162-K166 PolarHBondContact O-N 2.91Å
163C86.6Confident80.8Confident11 Ų1168.8 Ų68.87%0.07435%0.354CS..Hα-helixtrans-61.6-47.6169.1177.10000112.2R141 V150 K159 H161 K166 V167R141-C163 PolarHBondContact NE-SG 3.32Å; V150-C163 HydrophobicContact CG1-CB 4.34Å; K159-C163 WeakPolarHBondContact O-CB 3.27Å; K159-C163 PolarHBondContact O-N 3.23Å; K159-C163 VanDerWaalsContact O-N 3.12Å; H161-C163 VanDerWaalsContact C-N 3.25Å; H161-C163 PolarHBondContact O-N 2.9Å; C163-K166 PolarHBondContact O-N 2.84Å; C163-V167 WeakPolarHBondContact O-CB 3.11Å; C163-V167 VanDerWaalsContact O-CG2 3.29Å; C163-V167 WeakPolarHBondContact O-CG2 3.21Å; C163-V167 PolarHBondContact O-N 2.67Å
164R84.6Confident81.4Confident144 Ų14468.8 Ų68.854%0.54335%0.354SS..Hα-helixtrans-59.8-45.6175.2-75.1174.4171.6-178-3.3111.6V160 H161 V167 S168V160-R164 WeakPolarHBondContact O-CG 3.3Å; V160-R164 PolarHBondContact O-N 3.22Å; H161-R164 WeakPolarHBondContact O-CA 3.49Å; H161-R164 WeakPolarHBondContact O-CB 3.25Å; H161-R164 PolarHBondContact O-N 3.42Å; R164-V167 PolarHBondContact O-N 3.1Å; R164-S168 WeakPolarHBondContact O-CB 3.32Å; R164-S168 PolarHBondContact O-N 3.21Å
165G80.1Confident82.3Confident30 Ų3063.6 Ų63.631%0.30933%0.328SS..Hα-helixtrans-60-46.2177.200000113H161 M162 V167 S168 T169H161-G165 PolarHBondContact O-N 3.03Å; M162-G165 PolarHBondContact O-N 3.42Å; G165-V167 VanDerWaalsContact C-N 3.31Å; G165-V167 PolarHBondContact O-N 2.93Å; G165-S168 PolarHBondContact O-N 3.47Å; G165-T169 WeakPolarHBondContact O-CB 3.34Å; G165-T169 WeakPolarHBondContact O-CG2 3.2Å; G165-T169 PolarHBondContact O-N 3.11Å; G165-T169 PolarHBondContact O-OG1 2.93Å
166K84.6Confident83.2Confident35 Ų3565 Ų6515%0.15233%0.331CS..Hα-helixtrans-67.8-26.9176.4-71.2-157.5175.6-146.50114.3E149 M162 C163 T169 R170 S171 C172E149-K166 IonicContact OE1-NZ 3.83Å; E149-K166 PolarHBondContact OE1-NZ 2.98Å; E149-K166 IonicContact OE2-NZ 3.83Å; E149-K166 PolarHBondContact OE2-NZ 3.17Å; M162-K166 WeakPolarHBondContact O-CB 3.4Å; M162-K166 WeakPolarHBondContact O-CG 3.47Å; M162-K166 PolarHBondContact O-N 2.91Å; C163-K166 PolarHBondContact O-N 2.84Å; K166-T169 WeakPolarHBondContact CA-OG1 3.37Å; K166-R170 PolarHBondContact O-N 3.45Å; K166-S171 WeakPolarHBondContact CA-OG 3.32Å; K166-S171 PolarHBondContact O-N 2.86Å; K166-S171 PolarHBondContact O-OG 2.84Å; K166-C172 HydrophobicContact CB-CB 4.04Å; K166-C172 PolarHBondContact O-N 3.13Å; K166-C172 VanDerWaalsContact O-N 3.1Å
167V87.4Confident83.8Confident22 Ų2264.9 Ų64.913%0.13333%0.331CS..Hα-helixtrans-75.1-46.5172.5167.10000110.8C163 R164 G165 T169 R170 Y175 Y210C163-V167 WeakPolarHBondContact O-CB 3.11Å; C163-V167 VanDerWaalsContact O-CG2 3.29Å; C163-V167 WeakPolarHBondContact O-CG2 3.21Å; C163-V167 PolarHBondContact O-N 2.67Å; R164-V167 PolarHBondContact O-N 3.1Å; G165-V167 VanDerWaalsContact C-N 3.31Å; G165-V167 PolarHBondContact O-N 2.93Å; V167-T169 VanDerWaalsContact C-N 3.33Å; V167-T169 PolarHBondContact O-N 2.84Å; V167-R170 PolarHBondContact O-N 3.49Å; V167-Y175 HydrophobicContact CB-CG 4.48Å; V167-Y175 HydrophobicContact CG1-CD1 4.03Å; V167-Y175 HydrophobicContact CG1-CD2 4.07Å; V167-Y175 HydrophobicContact CG1-CE1 3.79Å; V167-Y175 HydrophobicContact CG1-CE2 3.8Å; V167-Y175 HydrophobicContact CG1-CG 4.18Å; V167-Y175 HydrophobicContact CG2-CD1 4.35Å; V167-Y175 HydrophobicContact CG2-CD2 3.78Å; V167-Y175 HydrophobicContact CG2-CE2 4.3Å; V167-Y175 HydrophobicContact CG2-CG 3.8Å; V167-Y210 HydrophobicContact CG2-CE2 3.82Å
168S83.3Confident84.5Confident106 Ų10661.4 Ų61.474%0.74132%0.315SS*.Hα-helixtrans-62.2-39.4179-163.50000112.5R164 G165 R170R164-S168 WeakPolarHBondContact O-CB 3.32Å; R164-S168 PolarHBondContact O-N 3.21Å; G165-S168 PolarHBondContact O-N 3.47Å; S168-R170 VanDerWaalsContact C-N 3.26Å; S168-R170 PolarHBondContact O-N 2.97Å
169T84.2Confident84.9Confident97 Ų9764.7 Ų64.760%0.59533%0.333SS*.THydrogen-bonded Turntrans-80.81175.354.30000113.8G165 K166 V167 S171G165-T169 WeakPolarHBondContact O-CB 3.34Å; G165-T169 WeakPolarHBondContact O-CG2 3.2Å; G165-T169 PolarHBondContact O-N 3.11Å; G165-T169 PolarHBondContact O-OG1 2.93Å; K166-T169 WeakPolarHBondContact CA-OG1 3.37Å; V167-T169 VanDerWaalsContact C-N 3.33Å; V167-T169 PolarHBondContact O-N 2.84Å; T169-S171 PolarHBondContact O-N 2.95Å; T169-S171 PolarHBondContact OG1-OG 3.5Å
170R85.3Confident84.9Confident194 Ų19469.8 Ų69.873%0.73236%0.357SS*.THydrogen-bonded Turntrans5219.6-173.1-63.4-177.8170.6-172.4-4.7114.9K166 V167 S168 C172 N176K166-R170 PolarHBondContact O-N 3.45Å; V167-R170 PolarHBondContact O-N 3.49Å; S168-R170 VanDerWaalsContact C-N 3.26Å; S168-R170 PolarHBondContact O-N 2.97Å; R170-C172 VanDerWaalsContact C-N 3.34Å; R170-N176 PolarHBondContact O-ND2 3.45Å; R170-N176 PolarHBondContact O-OD1 2.99Å
171S86.9Confident84.7Confident63 Ų6370.7 Ų70.744%0.44136%0.358SS..  trans-81.2-12-179.658.20000113.5K166 T169 Q173K166-S171 WeakPolarHBondContact CA-OG 3.32Å; K166-S171 PolarHBondContact O-N 2.86Å; K166-S171 PolarHBondContact O-OG 2.84Å; T169-S171 PolarHBondContact O-N 2.95Å; T169-S171 PolarHBondContact OG1-OG 3.5Å; S171-Q173 PolarHBondContact O-N 3.08Å
172C89.8Confident84.8Confident11 Ų1168.9 Ų68.97%0.07435%0.35CS..  trans-79.796.2173.5-170.80000111.6K166 R170 F174 Y175 N176K166-C172 HydrophobicContact CB-CB 4.04Å; K166-C172 PolarHBondContact O-N 3.13Å; K166-C172 VanDerWaalsContact O-N 3.1Å; R170-C172 VanDerWaalsContact C-N 3.34Å; C172-F174 PolarHBondContact O-N 3.19Å; C172-F174 VanDerWaalsContact O-N 3.12Å; C172-Y175 WeakPolarHBondContact O-CB 3.34Å; C172-Y175 PolarHBondContact O-N 2.91Å; C172-N176 PolarHBondContact O-N 3.38Å; C172-N176 PolarHBondContact O-OD1 3.47Å
173Q88.3Confident84.7Confident139 Ų13971.4 Ų71.465%0.6537%0.369SS*.Hα-helixtrans-46.6-44177-62.71795.300113.2S171 Y175 N176S171-Q173 PolarHBondContact O-N 3.08Å; Q173-Y175 VanDerWaalsContact C-N 3.31Å; Q173-Y175 PolarHBondContact O-N 3.26Å; Q173-N176 PolarHBondContact O-N 3.33Å
174F91.2Very high84.4Confident43 Ų4373.5 Ų73.519%0.18938%0.379CS..Hα-helixtrans-67.3-27.4179.7-52.8-74.6000113.9I146 N147 C172 R205 V206 C207I146-F174 HydrophobicContact CD1-CD1 3.47Å; I146-F174 VanDerWaalsContact CD1-CD1 3.47Å; I146-F174 HydrophobicContact CD1-CE1 3.71Å; I146-F174 HydrophobicContact CD1-CG 4Å; I146-F174 HydrophobicContact CD1-CZ 4.42Å; I146-F174 HydrophobicContact CG1-CD1 3.88Å; I146-F174 HydrophobicContact CG1-CD2 4.21Å; I146-F174 HydrophobicContact CG1-CE1 4.03Å; I146-F174 HydrophobicContact CG1-CE2 4.37Å; I146-F174 HydrophobicContact CG1-CG 3.96Å; I146-F174 HydrophobicContact CG1-CZ 4.27Å; N147-F174 HydrophobicContact CB-CD2 4.09Å; N147-F174 HydrophobicContact CB-CE2 4.08Å; C172-F174 PolarHBondContact O-N 3.19Å; C172-F174 VanDerWaalsContact O-N 3.12Å; F174-R205 HydrophobicContact CD1-CB 4.46Å; F174-V206 CarbonylContact O-C 3.52Å; F174-V206 WeakPolarHBondContact O-CA 3.27Å; F174-C207 HydrophobicContact CB-CB 3.88Å; F174-C207 WeakPolarHBondContact O-CB 3.5Å; F174-C207 PolarHBondContact O-N 3.18Å
175Y90.5Very high84Confident58 Ų5876.4 Ų76.423%0.22739%0.39CS..Hα-helixtrans-75.7-42179.3175.6-96.4000111.4V167 C172 Q173 N177 V178 Y210V167-Y175 HydrophobicContact CB-CG 4.48Å; V167-Y175 HydrophobicContact CG1-CD1 4.03Å; V167-Y175 HydrophobicContact CG1-CD2 4.07Å; V167-Y175 HydrophobicContact CG1-CE1 3.79Å; V167-Y175 HydrophobicContact CG1-CE2 3.8Å; V167-Y175 HydrophobicContact CG1-CG 4.18Å; V167-Y175 HydrophobicContact CG2-CD1 4.35Å; V167-Y175 HydrophobicContact CG2-CD2 3.78Å; V167-Y175 HydrophobicContact CG2-CE2 4.3Å; V167-Y175 HydrophobicContact CG2-CG 3.8Å; C172-Y175 WeakPolarHBondContact O-CB 3.34Å; C172-Y175 PolarHBondContact O-N 2.91Å; Q173-Y175 VanDerWaalsContact C-N 3.31Å; Q173-Y175 PolarHBondContact O-N 3.26Å; Y175-N177 PolarHBondContact O-N 3Å; Y175-V178 VanDerWaalsContact O-CB 3.3Å; Y175-V178 WeakPolarHBondContact O-CB 3.48Å; Y175-V178 VanDerWaalsContact O-CG2 3.24Å; Y175-V178 WeakPolarHBondContact O-CG2 3.33Å; Y175-V178 PolarHBondContact O-N 2.96Å; Y175-Y210 HydrophobicContact CD2-CD1 4.04Å; Y175-Y210 AromaticContact CD2-CD2 3.66Å; Y175-Y210 HydrophobicContact CD2-CD2 3.66Å; Y175-Y210 HydrophobicContact CD2-CE1 4.43Å; Y175-Y210 HydrophobicContact CD2-CE2 4.13Å; Y175-Y210 AromaticContact CD2-CG 3.62Å; Y175-Y210 HydrophobicContact CD2-CG 3.62Å; Y175-Y210 AromaticContact CE2-CD1 3.55Å; Y175-Y210 HydrophobicContact CE2-CD1 3.55Å; Y175-Y210 HydrophobicContact CE2-CD2 4.05Å; Y175-Y210 AromaticContact CE2-CE1 3.91Å; Y175-Y210 HydrophobicContact CE2-CE1 3.91Å; Y175-Y210 HydrophobicContact CE2-CE2 4.4Å; Y175-Y210 AromaticContact CE2-CG 3.62Å; Y175-Y210 HydrophobicContact CE2-CG 3.62Å
176N87.8Confident83.9Confident76 Ų7681.5 Ų81.541%0.40641%0.41SS..Hα-helixtrans-61.5-23.4-173.8-60.4-9.2000113R170 C172 Q173R170-N176 PolarHBondContact O-ND2 3.45Å; R170-N176 PolarHBondContact O-OD1 2.99Å; C172-N176 PolarHBondContact O-N 3.38Å; C172-N176 PolarHBondContact O-OD1 3.47Å; Q173-N176 PolarHBondContact O-N 3.33Å
177N84.9Confident83.7Confident62 Ų6280.2 Ų80.233%0.33241%0.405SS..THydrogen-bonded Turntrans-88.9-1.3178.7-57.5-17.9000114Y175 K181 R205Y175-N177 PolarHBondContact O-N 3Å; N177-K181 PolarHBondContact O-N 2.9Å; N177-R205 PolarHBondContact ND2-O 3.49Å
178V85.9Confident83.3Confident4 Ų479.8 Ų79.82%0.02440%0.402CS..Hα-helixtrans-69.1-46.7-173172.20000112.1Y175 E180 K181 S182 V206 C207 L211Y175-V178 VanDerWaalsContact O-CB 3.3Å; Y175-V178 WeakPolarHBondContact O-CB 3.48Å; Y175-V178 VanDerWaalsContact O-CG2 3.24Å; Y175-V178 WeakPolarHBondContact O-CG2 3.33Å; Y175-V178 PolarHBondContact O-N 2.96Å; V178-E180 PolarHBondContact O-N 3.31Å; V178-K181 PolarHBondContact O-N 3.23Å; V178-S182 WeakPolarHBondContact O-CB 3.3Å; V178-S182 PolarHBondContact O-N 3.01Å; V178-S182 PolarHBondContact O-OG 2.99Å; V178-V206 HydrophobicContact CB-CG2 4.23Å; V178-V206 HydrophobicContact CG2-CG2 3.69Å; V178-C207 HydrophobicContact CG2-CB 3.92Å; V178-L211 HydrophobicContact CG1-CD1 4.47Å
179D82.2Confident83.2Confident107 Ų10779.6 Ų79.657%0.57239%0.393SS*.Hα-helixtrans-63.4-47.9-170.7-62.4-31.5000111.1S182D179-S182 PolarHBondContact O-N 2.79Å; D179-S182 PolarHBondContact O-OG 3.39Å
180E81.6Confident83.2Confident125 Ų12577.3 Ų77.358%0.58438%0.381SS*.Hα-helixtrans-54.3-58.5174.3-170.6-156.9132.700111.7V178 S182 T183V178-E180 PolarHBondContact O-N 3.31Å; E180-S182 VanDerWaalsContact C-N 3.28Å; E180-S182 PolarHBondContact O-N 3.07Å; E180-T183 PolarHBondContact O-N 2.89Å; E180-T183 PolarHBondContact O-OG1 3.49Å
181K78.4Confident83.3Confident61 Ų6168.8 Ų68.827%0.26535%0.35SS..Hα-helixtrans-72.6-16.4-174.5-60.6-49.7-172.8-158.90113.9N177 V178 T183 D184 L187 V206N177-K181 PolarHBondContact O-N 2.9Å; V178-K181 PolarHBondContact O-N 3.23Å; K181-T183 PolarHBondContact O-N 3.12Å; K181-D184 WeakPolarHBondContact O-CB 3.48Å; K181-D184 PolarHBondContact O-N 3.45Å; K181-L187 WeakPolarHBondContact O-CD2 3.24Å; K181-V206 HydrophobicContact CB-CG2 4.38Å
182S78.4Confident83.2Confident10 Ų1067 Ų677%0.0734%0.335CS..THydrogen-bonded Turntrans-70.5-12.8177.273.60000114.3V178 D179 E180 S214V178-S182 WeakPolarHBondContact O-CB 3.3Å; V178-S182 PolarHBondContact O-N 3.01Å; V178-S182 PolarHBondContact O-OG 2.99Å; D179-S182 PolarHBondContact O-N 2.79Å; D179-S182 PolarHBondContact O-OG 3.39Å; E180-S182 VanDerWaalsContact C-N 3.28Å; E180-S182 PolarHBondContact O-N 3.07Å; S182-S214 WeakPolarHBondContact CB-OG 3.46Å; S182-S214 PolarHBondContact OG-OG 2.76Å
183T76.9Confident83.2Confident102 Ų10267 Ų6763%0.62633%0.334SS*.THydrogen-bonded Turntrans-93.9-4.8178.666.40000114.2E180 K181 R185E180-T183 PolarHBondContact O-N 2.89Å; E180-T183 PolarHBondContact O-OG1 3.49Å; K181-T183 PolarHBondContact O-N 3.12Å; T183-R185 PolarHBondContact O-N 3.47Å
184D80.8Confident83.1Confident55 Ų5560.8 Ų60.829%0.29431%0.306SS..  trans-62.7123.8-177.2-174.2-18.3000111.5K181 D186 L187 V188K181-D184 WeakPolarHBondContact O-CB 3.48Å; K181-D184 PolarHBondContact O-N 3.45Å; D184-D186 VanDerWaalsContact C-N 3.33Å; D184-D186 PolarHBondContact O-N 2.85Å; D184-D186 PolarHBondContact OD1-N 3.17Å; D184-L187 HydrophobicContact CB-CB 3.94Å; D184-L187 PolarHBondContact O-N 2.88Å; D184-V188 VanDerWaalsContact O-CG2 3.31Å; D184-V188 WeakPolarHBondContact O-CG2 3.37Å; D184-V188 PolarHBondContact O-N 3.44Å
185R76.5Confident83Confident205 Ų20562.9 Ų62.977%0.77432%0.316SS*.Hα-helixtrans-68.4-31.7-177.6-69.8-171.2178.7-165.72.1112.4T183 L187 N189T183-R185 PolarHBondContact O-N 3.47Å; R185-L187 VanDerWaalsContact C-N 3.33Å; R185-N189 WeakPolarHBondContact O-CB 3.49Å; R185-N189 PolarHBondContact O-N 3.34Å; R185-N189 PolarHBondContact O-ND2 3.2Å
186D77.9Confident82.9Confident137 Ų13761.9 Ų61.973%0.73332%0.315SS*.Hα-helixtrans-74.2-32.4179.4-71.1-8.8000110.4D184 S190D184-D186 VanDerWaalsContact C-N 3.33Å; D184-D186 PolarHBondContact O-N 2.85Å; D184-D186 PolarHBondContact OD1-N 3.17Å; D186-S190 WeakPolarHBondContact O-CB 3.36Å; D186-S190 PolarHBondContact O-N 2.83Å
187L79.4Confident83Confident7 Ų758.5 Ų58.54%0.03730%0.297CS..Hα-helixtrans-67.8-52.4170.6178.465.7000111.9K181 D184 R185 N189 S190 L192 F200 L211 L215K181-L187 WeakPolarHBondContact O-CD2 3.24Å; D184-L187 HydrophobicContact CB-CB 3.94Å; D184-L187 PolarHBondContact O-N 2.88Å; R185-L187 VanDerWaalsContact C-N 3.33Å; L187-N189 VanDerWaalsContact C-N 3.27Å; L187-N189 PolarHBondContact O-N 3.19Å; L187-S190 PolarHBondContact O-N 3.48Å; L187-S190 VanDerWaalsContact O-N 3.11Å; L187-L192 HydrophobicContact CD1-CD1 3.54Å; L187-F200 HydrophobicContact CB-CZ 4.38Å; L187-F200 HydrophobicContact CD1-CD1 4.2Å; L187-F200 HydrophobicContact CD1-CD2 4.48Å; L187-F200 HydrophobicContact CD1-CE1 3.87Å; L187-F200 HydrophobicContact CD1-CE2 4.17Å; L187-F200 HydrophobicContact CD1-CG 4.5Å; L187-F200 HydrophobicContact CD1-CZ 3.85Å; L187-F200 HydrophobicContact CD2-CE1 4.12Å; L187-F200 HydrophobicContact CD2-CZ 4.26Å; L187-F200 HydrophobicContact CG-CZ 4.38Å; L187-L211 HydrophobicContact CD2-CD1 3.8Å; L187-L211 HydrophobicContact CD2-CD2 3.94Å; L187-L211 HydrophobicContact CD2-CG 4.12Å; L187-L215 HydrophobicContact CD2-CD1 4.42Å; L187-L215 HydrophobicContact CD2-CD2 4.28Å; L187-L215 HydrophobicContact CG-CD1 4.39Å; L187-L215 HydrophobicContact CG-CD2 4.32Å
188V78.3Confident83.3Confident14 Ų1457.2 Ų57.29%0.08529%0.291CS..Hα-helixtrans-65.2-28.8-173.2168.90000113K134 D184 L215K134-V188 HydrophobicContact CD-CG1 3.83Å; K134-V188 HydrophobicContact CG-CG1 4.28Å; D184-V188 VanDerWaalsContact O-CG2 3.31Å; D184-V188 WeakPolarHBondContact O-CG2 3.37Å; D184-V188 PolarHBondContact O-N 3.44Å; V188-L215 HydrophobicContact CG2-CD2 3.75Å
189N81Confident83.6Confident102 Ų10262 Ų6255%0.54531%0.312SS..THydrogen-bonded Turntrans-92-4.5177.1-63.4-44.4000113.6R185 L187R185-N189 WeakPolarHBondContact O-CB 3.49Å; R185-N189 PolarHBondContact O-N 3.34Å; R185-N189 PolarHBondContact O-ND2 3.2Å; L187-N189 VanDerWaalsContact C-N 3.27Å; L187-N189 PolarHBondContact O-N 3.19Å
190S85.4Confident83.9Confident49 Ų4958.9 Ų58.934%0.34329%0.293SS..SBendtrans-84.5145.1178-1690000112D186 L187 L192D186-S190 WeakPolarHBondContact O-CB 3.36Å; D186-S190 PolarHBondContact O-N 2.83Å; L187-S190 PolarHBondContact O-N 3.48Å; L187-S190 VanDerWaalsContact O-N 3.11Å; S190-L192 WeakPolarHBondContact OG-CD2 3.47Å
191I87.5Confident84.3Confident15 Ų1553 Ų538%0.07727%0.265CS..  trans-97.295.7176.6-62.1176.1000107.5I123 L126 K127 V135I123-I191 HydrophobicContact CG2-CG2 3.79Å; L126-I191 HydrophobicContact CD2-CD1 4.37Å; L126-I191 HydrophobicContact CD2-CG2 4.23Å; L126-I191 HydrophobicContact CG-CD1 4.23Å; K127-I191 WeakPolarHBondContact CE-O 3.49Å; K127-I191 HydrophobicContact CG-CB 4.23Å; K127-I191 HydrophobicContact CG-CG2 3.81Å; V135-I191 HydrophobicContact CG2-CG1 4.2Å; V135-I191 HydrophobicContact CG2-CG2 4.23Å
192L85.6Confident84.9Confident26 Ų2654.3 Ų54.314%0.13628%0.276CS..  trans-105.8143.9-176.8-55.1177.3000111.7V137 L187 S190 D196 L197V137-L192 VanDerWaalsContact CG2-O 3.3Å; V137-L192 WeakPolarHBondContact CG2-O 3.39Å; L187-L192 HydrophobicContact CD1-CD1 3.54Å; S190-L192 WeakPolarHBondContact OG-CD2 3.47Å; L192-D196 HydrophobicContact CB-CB 4.2Å; L192-D196 HydrophobicContact CD2-CB 3.91Å; L192-L197 HydrophobicContact CB-CD2 4.36Å; L192-L197 HydrophobicContact CB-CG 4.02Å; L192-L197 HydrophobicContact CD1-CD2 3.77Å; L192-L197 HydrophobicContact CD1-CG 4.26Å
193D88.6Confident85.4Confident9 Ų962.2 Ų62.25%0.04831%0.308CS..  trans-98.2-172165.545.854.4000111.3I123 K127 E195 D196 L197I123-D193 HydrophobicContact CD1-CB 3.97Å; I123-D193 HydrophobicContact CG2-CB 4.15Å; K127-D193 IonicContact NZ-OD2 3.43Å; K127-D193 PolarHBondContact NZ-OD2 2.9Å; D193-E195 PolarHBondContact OD1-N 3.41Å; D193-D196 VanDerWaalsContact OD1-CB 3.27Å; D193-D196 WeakPolarHBondContact OD1-CB 3.32Å; D193-D196 PolarHBondContact OD1-N 3.41Å; D193-L197 WeakPolarHBondContact O-CB 3.4Å; D193-L197 WeakPolarHBondContact O-CD1 3.09Å; D193-L197 VanDerWaalsContact O-CG 3.25Å; D193-L197 WeakPolarHBondContact O-CG 3.31Å; D193-L197 PolarHBondContact O-N 3.05Å
194V87Confident85.9Confident9 Ų961 Ų616%0.05530%0.296CS..Hα-helixtrans-66.5-43.1-177.6173.70000110.4V137 Q143 L144 L197 V198V137-V194 HydrophobicContact CG1-CG2 3.75Å; Q143-V194 HydrophobicContact CB-CG1 4.02Å; L144-V194 HydrophobicContact CD2-CG1 3.84Å; L144-V194 HydrophobicContact CG-CG1 4.33Å; V194-L197 PolarHBondContact O-N 3.41Å; V194-V198 WeakPolarHBondContact O-CG2 3.26Å; V194-V198 PolarHBondContact O-N 3.01Å
195E87.9Confident86.3Confident88 Ų8866.5 Ų66.541%0.41131%0.312SS..Hα-helixtrans-65.7-46.6-179.4-66.768.4-157.600110.2D193 V198 K199D193-E195 PolarHBondContact OD1-N 3.41Å; E195-V198 PolarHBondContact O-N 3.35Å; E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 3.25Å
196D89.4Confident87.1Confident37 Ų3756.7 Ų56.720%0.19828%0.275CS..Hα-helixtrans-63.6-38.8174.2-71-16.3000112.7K127 L192 D193 V198 K199 F200K127-D196 IonicContact NZ-OD2 3.29Å; K127-D196 PolarHBondContact NZ-OD2 2.87Å; L192-D196 HydrophobicContact CB-CB 4.2Å; L192-D196 HydrophobicContact CD2-CB 3.91Å; D193-D196 VanDerWaalsContact OD1-CB 3.27Å; D193-D196 WeakPolarHBondContact OD1-CB 3.32Å; D193-D196 PolarHBondContact OD1-N 3.41Å; D196-V198 VanDerWaalsContact C-N 3.35Å; D196-V198 PolarHBondContact O-N 3.14Å; D196-K199 PolarHBondContact O-N 2.99Å; D196-K199 IonicContact OD1-NZ 3.76Å; D196-K199 PolarHBondContact OD1-NZ 3.16Å; D196-F200 WeakPolarHBondContact O-CB 3.44Å; D196-F200 PolarHBondContact O-N 2.92Å
197L89.8Confident87.8Confident4 Ų450.6 Ų50.62%0.02124%0.243CC..Hα-helixtrans-62.9-37.1173.1-80.5167.8000112.7V137 L144 L192 D193 V194 G201 P208 L215V137-L197 HydrophobicContact CB-CD1 4.47Å; L144-L197 HydrophobicContact CD2-CB 4.3Å; L192-L197 HydrophobicContact CB-CD2 4.36Å; L192-L197 HydrophobicContact CB-CG 4.02Å; L192-L197 HydrophobicContact CD1-CD2 3.77Å; L192-L197 HydrophobicContact CD1-CG 4.26Å; D193-L197 WeakPolarHBondContact O-CB 3.4Å; D193-L197 WeakPolarHBondContact O-CD1 3.09Å; D193-L197 VanDerWaalsContact O-CG 3.25Å; D193-L197 WeakPolarHBondContact O-CG 3.31Å; D193-L197 PolarHBondContact O-N 3.05Å; V194-L197 PolarHBondContact O-N 3.41Å; L197-G201 PolarHBondContact O-N 2.86Å; L197-P208 HydrophobicContact CB-CB 4.38Å; L197-L215 HydrophobicContact CD2-CD1 4.41Å
198V91.4Very high88.5Confident35 Ų3550.2 Ų50.221%0.21224%0.241CC..Hα-helixtrans-72.6-42.7175.7170.20000111.5Q143 L144 I146 V194 E195 D196 F200 G201 N202 P208Q143-V198 VanDerWaalsContact O-CG2 3.3Å; Q143-V198 WeakPolarHBondContact O-CG2 3.43Å; L144-V198 HydrophobicContact CD2-CG2 4.3Å; I146-V198 HydrophobicContact CG2-CG1 4.05Å; V194-V198 WeakPolarHBondContact O-CG2 3.26Å; V194-V198 PolarHBondContact O-N 3.01Å; E195-V198 PolarHBondContact O-N 3.35Å; D196-V198 VanDerWaalsContact C-N 3.35Å; D196-V198 PolarHBondContact O-N 3.14Å; V198-F200 VanDerWaalsContact C-N 3.31Å; V198-F200 PolarHBondContact O-N 2.81Å; V198-G201 PolarHBondContact O-N 3.15Å; V198-N202 PolarHBondContact O-N 2.87Å; V198-N202 PolarHBondContact O-ND2 3.07Å; V198-P208 HydrophobicContact CG2-CB 4.48Å; V198-P208 HydrophobicContact CG2-CG 4.29Å
199K91.3Very high89.2Confident105 Ų10549.9 Ų49.946%0.45724%0.239SC..Hα-helixtrans-55.8-46.5172.3-66.9164.6-150.7163.90110.5E195 D196 K203 D798E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 3.25Å; D196-K199 PolarHBondContact O-N 2.99Å; D196-K199 IonicContact OD1-NZ 3.76Å; D196-K199 PolarHBondContact OD1-NZ 3.16Å; K199-K203 PolarHBondContact O-N 3.48Å; K199-D798 IonicContact NZ-OD2 2.69Å
200F88.8Confident89.6Confident42 Ų4246.9 Ų46.918%0.18422%0.22CC..Hα-helixtrans-64.3-47.4176.5-176.4-91000112.5L187 D196 V198 N202 K203 Q204 V206 L211L187-F200 HydrophobicContact CB-CZ 4.38Å; L187-F200 HydrophobicContact CD1-CD1 4.2Å; L187-F200 HydrophobicContact CD1-CD2 4.48Å; L187-F200 HydrophobicContact CD1-CE1 3.87Å; L187-F200 HydrophobicContact CD1-CE2 4.17Å; L187-F200 HydrophobicContact CD1-CG 4.5Å; L187-F200 HydrophobicContact CD1-CZ 3.85Å; L187-F200 HydrophobicContact CD2-CE1 4.12Å; L187-F200 HydrophobicContact CD2-CZ 4.26Å; L187-F200 HydrophobicContact CG-CZ 4.38Å; D196-F200 WeakPolarHBondContact O-CB 3.44Å; D196-F200 PolarHBondContact O-N 2.92Å; V198-F200 VanDerWaalsContact C-N 3.31Å; V198-F200 PolarHBondContact O-N 2.81Å; F200-N202 VanDerWaalsContact C-N 3.34Å; F200-N202 PolarHBondContact O-N 2.82Å; F200-K203 PolarHBondContact O-N 3.17Å; F200-K203 VanDerWaalsContact O-N 3.13Å; F200-Q204 HydrophobicContact CD1-CG 4.38Å; F200-Q204 HydrophobicContact CD2-CG 4.31Å; F200-Q204 HydrophobicContact CE1-CB 4.24Å; F200-Q204 HydrophobicContact CE1-CG 4.01Å; F200-Q204 HydrophobicContact CE2-CG 3.93Å; F200-Q204 HydrophobicContact CZ-CB 4.46Å; F200-Q204 HydrophobicContact CZ-CG 3.77Å; F200-Q204 PolarHBondContact O-N 2.92Å; F200-V206 HydrophobicContact CD1-CG1 4.05Å; F200-V206 HydrophobicContact CE1-CG1 3.93Å; F200-L211 HydrophobicContact CD1-CD2 3.98Å; F200-L211 HydrophobicContact CE1-CD2 3.95Å
201G89.5Confident89.9Confident0 Ų044.5 Ų44.50%020%0.203CC..Hα-helixtrans-60.4-39.7-179.200000113.7I146 L197 V198 R205 V206I146-G201 WeakPolarHBondContact CD1-O 3.3Å; L197-G201 PolarHBondContact O-N 2.86Å; V198-G201 PolarHBondContact O-N 3.15Å; G201-R205 CarbonylContact O-C 3.56Å; G201-R205 VanDerWaalsContact O-CA 3.24Å; G201-R205 WeakPolarHBondContact O-CA 3.17Å; G201-R205 PolarHBondContact O-N 3.47Å; G201-V206 CarbonylContact C-O 3.33Å; G201-V206 WeakPolarHBondContact CA-O 3.26Å; G201-V206 PolarHBondContact O-N 3.38Å
202N90.7Very high90Very high90 Ų9043.9 Ų43.948%0.48120%0.2SC..Hα-helixtrans-65.1-45172.7-75.2-38.1000111.9I146 V198 F200I146-N202 WeakPolarHBondContact CB-OD1 3.46Å; I146-N202 WeakPolarHBondContact CG2-OD1 3.39Å; V198-N202 PolarHBondContact O-N 2.87Å; V198-N202 PolarHBondContact O-ND2 3.07Å; F200-N202 VanDerWaalsContact C-N 3.34Å; F200-N202 PolarHBondContact O-N 2.82Å
203K90.1Very high90.2Very high175 Ų17545.3 Ų45.376%0.76120%0.204SC*.Hα-helixtrans-64.1-41.7179.9-174.9178.3178.8-177.90113.1K199 F200K199-K203 PolarHBondContact O-N 3.48Å; F200-K203 PolarHBondContact O-N 3.17Å; F200-K203 VanDerWaalsContact O-N 3.13Å
204Q86.8Confident90.2Very high77 Ų7746.2 Ų46.236%0.3621%0.211SC..Hα-helixtrans-99.64.6-175.2-64.2-71.210.400113.8F200 V206F200-Q204 HydrophobicContact CD1-CG 4.38Å; F200-Q204 HydrophobicContact CD2-CG 4.31Å; F200-Q204 HydrophobicContact CE1-CB 4.24Å; F200-Q204 HydrophobicContact CE1-CG 4.01Å; F200-Q204 HydrophobicContact CE2-CG 3.93Å; F200-Q204 HydrophobicContact CZ-CB 4.46Å; F200-Q204 HydrophobicContact CZ-CG 3.77Å; F200-Q204 PolarHBondContact O-N 2.92Å; Q204-V206 VanDerWaalsContact C-N 3.3Å; Q204-V206 HydrophobicContact CB-CG1 3.95Å; Q204-V206 PolarHBondContact O-N 2.95Å
205R89.7Confident90.2Very high170 Ų17046.6 Ų46.664%0.64221%0.212SC*.THydrogen-bonded Turntrans48.547-174.2-62.7-174.6173.7-166.7-1.4113.3F174 N177 G201F174-R205 HydrophobicContact CD1-CB 4.46Å; N177-R205 PolarHBondContact ND2-O 3.49Å; G201-R205 CarbonylContact O-C 3.56Å; G201-R205 VanDerWaalsContact O-CA 3.24Å; G201-R205 WeakPolarHBondContact O-CA 3.17Å; G201-R205 PolarHBondContact O-N 3.47Å
206V92.8Very high90.2Very high0 Ų043.3 Ų43.30%020%0.197CC..  trans-125.4142.1-179.264.40000110.8F174 V178 K181 F200 G201 Q204 P208 L211F174-V206 CarbonylContact O-C 3.52Å; F174-V206 WeakPolarHBondContact O-CA 3.27Å; V178-V206 HydrophobicContact CB-CG2 4.23Å; V178-V206 HydrophobicContact CG2-CG2 3.69Å; K181-V206 HydrophobicContact CB-CG2 4.38Å; F200-V206 HydrophobicContact CD1-CG1 4.05Å; F200-V206 HydrophobicContact CE1-CG1 3.93Å; G201-V206 CarbonylContact C-O 3.33Å; G201-V206 WeakPolarHBondContact CA-O 3.26Å; G201-V206 PolarHBondContact O-N 3.38Å; Q204-V206 VanDerWaalsContact C-N 3.3Å; Q204-V206 HydrophobicContact CB-CG1 3.95Å; Q204-V206 PolarHBondContact O-N 2.95Å; V206-P208 WeakPolarHBondContact O-CD 3.34Å; V206-L211 HydrophobicContact CG1-CD2 4.06Å; V206-L211 HydrophobicContact CG2-CD1 4.38Å; V206-L211 HydrophobicContact CG2-CD2 4.47Å
207C93.6Very high89.9Confident8 Ų847.8 Ų47.85%0.05422%0.217CC..  trans-76.3111.3-172.3-175.50000112.2F174 V178 Y209 Y210 L211F174-C207 HydrophobicContact CB-CB 3.88Å; F174-C207 WeakPolarHBondContact O-CB 3.5Å; F174-C207 PolarHBondContact O-N 3.18Å; V178-C207 HydrophobicContact CG2-CB 3.92Å; C207-Y209 VanDerWaalsContact C-N 3.29Å; C207-Y209 PolarHBondContact O-N 2.72Å; C207-Y210 PolarHBondContact O-N 2.89Å; C207-L211 VanDerWaalsContact O-CB 3.32Å; C207-L211 WeakPolarHBondContact O-CB 3.46Å; C207-L211 PolarHBondContact O-N 2.94Å
208P93.3Very high89.6Confident0 Ų051.5 Ų51.50%023%0.234CC..Hα-helixtrans-59.6-36.6-176.6-22.833.1000113.5L144 I146 L197 V198 V206 Y210 L211 S212L144-P208 HydrophobicContact CB-CB 4.18Å; L144-P208 HydrophobicContact CD2-CB 3.85Å; L144-P208 WeakPolarHBondContact O-CB 3.21Å; L144-P208 WeakPolarHBondContact O-CD 3.32Å; I146-P208 HydrophobicContact CG2-CG 4.12Å; L197-P208 HydrophobicContact CB-CB 4.38Å; V198-P208 HydrophobicContact CG2-CB 4.48Å; V198-P208 HydrophobicContact CG2-CG 4.29Å; V206-P208 WeakPolarHBondContact O-CD 3.34Å; P208-Y210 PolarHBondContact O-N 3.46Å; P208-L211 PolarHBondContact O-N 3.19Å; P208-S212 PolarHBondContact O-N 2.93Å; P208-S212 PolarHBondContact O-OG 3.47Å
209Y92.5Very high89.6Confident7 Ų749.9 Ų49.93%0.02722%0.224CC..Hα-helixtrans-64.1-36.8-179.2179.9-91.5000113.8R141 L144 C207 S212 R213R141-Y209 HydrophobicContact CG-CD1 4.27Å; R141-Y209 HydrophobicContact CG-CD2 3.83Å; R141-Y209 HydrophobicContact CG-CE1 4.37Å; R141-Y209 HydrophobicContact CG-CE2 3.93Å; R141-Y209 HydrophobicContact CG-CG 4.03Å; R141-Y209 VanDerWaalsContact CZ-CE1 3.43Å; R141-Y209 PolarHBondContact NH1-OH 2.88Å; R141-Y209 VanDerWaalsContact NH2-CE1 3.27Å; L144-Y209 HydrophobicContact CB-CD2 4.35Å; L144-Y209 HydrophobicContact CD1-CD2 4.42Å; L144-Y209 PolarHBondContact O-N 3.3Å; C207-Y209 VanDerWaalsContact C-N 3.29Å; C207-Y209 PolarHBondContact O-N 2.72Å; Y209-S212 PolarHBondContact O-OG 3.25Å; Y209-R213 WeakPolarHBondContact O-CG 3.42Å; Y209-R213 PolarHBondContact OH-NH1 3.45Å
210Y90.9Very high89.6Confident38 Ų3845.6 Ų45.615%0.14921%0.206CC..Hα-helixtrans-88.8-31.2177.3-78.8-85000111.9R141 V167 Y175 C207 P208 S212 R213 S214R141-Y210 PolarHBondContact NH2-OH 3.38Å; V167-Y210 HydrophobicContact CG2-CE2 3.82Å; Y175-Y210 HydrophobicContact CD2-CD1 4.04Å; Y175-Y210 AromaticContact CD2-CD2 3.66Å; Y175-Y210 HydrophobicContact CD2-CD2 3.66Å; Y175-Y210 HydrophobicContact CD2-CE1 4.43Å; Y175-Y210 HydrophobicContact CD2-CE2 4.13Å; Y175-Y210 AromaticContact CD2-CG 3.62Å; Y175-Y210 HydrophobicContact CD2-CG 3.62Å; Y175-Y210 AromaticContact CE2-CD1 3.55Å; Y175-Y210 HydrophobicContact CE2-CD1 3.55Å; Y175-Y210 HydrophobicContact CE2-CD2 4.05Å; Y175-Y210 AromaticContact CE2-CE1 3.91Å; Y175-Y210 HydrophobicContact CE2-CE1 3.91Å; Y175-Y210 HydrophobicContact CE2-CE2 4.4Å; Y175-Y210 AromaticContact CE2-CG 3.62Å; Y175-Y210 HydrophobicContact CE2-CG 3.62Å; C207-Y210 PolarHBondContact O-N 2.89Å; P208-Y210 PolarHBondContact O-N 3.46Å; Y210-S212 PolarHBondContact O-N 2.85Å; Y210-R213 WeakPolarHBondContact O-CB 3.39Å; Y210-R213 PolarHBondContact O-N 3.01Å; Y210-S214 PolarHBondContact O-N 3.48Å; Y210-S214 VanDerWaalsContact O-N 3.08Å
211L90.4Very high89.9Confident0 Ų043.8 Ų43.80%020%0.198CC..Hα-helixtrans-58.4-47.3172.8-169.563.4000111.6V178 L187 F200 V206 C207 P208 R213 S214 L215V178-L211 HydrophobicContact CG1-CD1 4.47Å; L187-L211 HydrophobicContact CD2-CD1 3.8Å; L187-L211 HydrophobicContact CD2-CD2 3.94Å; L187-L211 HydrophobicContact CD2-CG 4.12Å; F200-L211 HydrophobicContact CD1-CD2 3.98Å; F200-L211 HydrophobicContact CE1-CD2 3.95Å; V206-L211 HydrophobicContact CG1-CD2 4.06Å; V206-L211 HydrophobicContact CG2-CD1 4.38Å; V206-L211 HydrophobicContact CG2-CD2 4.47Å; C207-L211 VanDerWaalsContact O-CB 3.32Å; C207-L211 WeakPolarHBondContact O-CB 3.46Å; C207-L211 PolarHBondContact O-N 2.94Å; P208-L211 PolarHBondContact O-N 3.19Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.19Å; L211-S214 PolarHBondContact O-N 2.85Å; L211-S214 VanDerWaalsContact O-N 3.13Å; L211-L215 HydrophobicContact CG-CD1 4.27Å; L211-L215 WeakPolarHBondContact O-CG 3.24Å; L211-L215 PolarHBondContact O-N 3.09Å
212S90.8Very high90.1Very high2 Ų244.2 Ų44.21%0.01420%0.201CC..Hα-helixtrans-62-35.2176.766.50000112.8C136 V137 P208 Y209 Y210 S214 L215 K216C136-S212 PolarHBondContact SG-O 3.34Å; V137-S212 WeakPolarHBondContact O-CB 3.18Å; P208-S212 PolarHBondContact O-N 2.93Å; P208-S212 PolarHBondContact O-OG 3.47Å; Y209-S212 PolarHBondContact O-OG 3.25Å; Y210-S212 PolarHBondContact O-N 2.85Å; S212-S214 VanDerWaalsContact C-N 3.35Å; S212-S214 PolarHBondContact O-N 3.46Å; S212-L215 PolarHBondContact O-N 2.89Å; S212-K216 WeakPolarHBondContact O-CB 3.27Å; S212-K216 PolarHBondContact O-N 3.03Å
213R88.9Confident90.3Very high56 Ų5640 Ų4021%0.21118%0.178CC..Hα-helixtrans-67.5-30.8175.4-69176.671.4107.27.1113.2Y209 Y210 L211 A237Y209-R213 WeakPolarHBondContact O-CG 3.42Å; Y209-R213 PolarHBondContact OH-NH1 3.45Å; Y210-R213 WeakPolarHBondContact O-CB 3.39Å; Y210-R213 PolarHBondContact O-N 3.01Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.19Å; R213-A237 PolarHBondContact NH1-O 3.41Å; R213-A237 PolarHBondContact NH2-O 2.91Å
214S87.8Confident90.5Very high27 Ų2731.6 Ų31.619%0.18914%0.142CC..Hα-helixtrans-72.1-54.1171.1-173.70000110.5S182 Y210 L211 S212 K216 Q217S182-S214 WeakPolarHBondContact CB-OG 3.46Å; S182-S214 PolarHBondContact OG-OG 2.76Å; Y210-S214 PolarHBondContact O-N 3.48Å; Y210-S214 VanDerWaalsContact O-N 3.08Å; L211-S214 PolarHBondContact O-N 2.85Å; L211-S214 VanDerWaalsContact O-N 3.13Å; S212-S214 VanDerWaalsContact C-N 3.35Å; S212-S214 PolarHBondContact O-N 3.46Å; S214-K216 PolarHBondContact O-N 3.37Å; S214-K216 VanDerWaalsContact O-N 3.09Å; S214-Q217 WeakPolarHBondContact O-CB 3.3Å; S214-Q217 PolarHBondContact O-N 2.85Å
215L87Confident90.8Very high17 Ų1728.3 Ų28.39%0.08913%0.127CC..Hα-helixtrans-53.5-35.9179.2-67.5173.3000112.7L187 V188 L197 L211 S212 Q217 Q218 A219L187-L215 HydrophobicContact CD2-CD1 4.42Å; L187-L215 HydrophobicContact CD2-CD2 4.28Å; L187-L215 HydrophobicContact CG-CD1 4.39Å; L187-L215 HydrophobicContact CG-CD2 4.32Å; V188-L215 HydrophobicContact CG2-CD2 3.75Å; L197-L215 HydrophobicContact CD2-CD1 4.41Å; L211-L215 HydrophobicContact CG-CD1 4.27Å; L211-L215 WeakPolarHBondContact O-CG 3.24Å; L211-L215 PolarHBondContact O-N 3.09Å; S212-L215 PolarHBondContact O-N 2.89Å; L215-Q217 PolarHBondContact O-N 3.38Å; L215-Q217 VanDerWaalsContact O-N 3.11Å; L215-Q218 PolarHBondContact O-N 2.84Å; L215-Q218 VanDerWaalsContact O-N 3.08Å; L215-A219 PolarHBondContact O-N 3Å; L215-A219 VanDerWaalsContact O-N 3.11Å
216K89.1Confident90.8Very high19 Ų1920.9 Ų20.98%0.08310%0.099CC..Hα-helixtrans-49.8-33.3174.1-168.8-152.263.9168.10113.8L138 S212 S214 I222 H238 N239L138-K216 HydrophobicContact CD1-CD 4.24Å; L138-K216 HydrophobicContact CD2-CB 4.47Å; L138-K216 HydrophobicContact CD2-CD 4.45Å; L138-K216 HydrophobicContact CD2-CG 4.39Å; S212-K216 WeakPolarHBondContact O-CB 3.27Å; S212-K216 PolarHBondContact O-N 3.03Å; S214-K216 PolarHBondContact O-N 3.37Å; S214-K216 VanDerWaalsContact O-N 3.09Å; K216-I222 HydrophobicContact CG-CD1 3.81Å; K216-I222 HydrophobicContact CG-CG1 4.38Å; K216-I222 HydrophobicContact CG-CG2 4.44Å; K216-H238 PolarHBondContact NZ-O 3.23Å; K216-N239 PolarHBondContact NZ-O 3.46Å
217Q83.7Confident90.6Very high132 Ų13224.1 Ų24.162%0.61712%0.116SC*.Hα-helixtrans-66.4-38.4-179.3-65.4-173.4-4.800112.3S214 L215S214-Q217 WeakPolarHBondContact O-CB 3.3Å; S214-Q217 PolarHBondContact O-N 2.85Å; L215-Q217 PolarHBondContact O-N 3.38Å; L215-Q217 VanDerWaalsContact O-N 3.11Å
218Q83.8Confident90.5Very high81 Ų8125 Ų2538%0.37912%0.118SC..Hα-helixtrans-96.50.1-178.5-55.9-170.333.300113.5K134 L215K134-Q218 HydrophobicContact CD-CB 4.42Å; K134-Q218 WeakPolarHBondContact CD-O 3.34Å; L215-Q218 PolarHBondContact O-N 2.84Å; L215-Q218 VanDerWaalsContact O-N 3.08Å
219A89.8Confident90.4Very high1 Ų125 Ų251%0.00812%0.118CC..  trans-72.8139-172.900000112.8C136 L215 I222C136-A219 HydrophobicContact CB-CB 3.58Å; L215-A219 PolarHBondContact O-N 3Å; L215-A219 VanDerWaalsContact O-N 3.11Å; A219-I222 HydrophobicContact CB-CG1 3.95Å
220D91.4Very high90.2Very high16 Ų1624.6 Ų24.69%0.08612%0.117CC..SBendtrans-82.4-39.6170.1-65.9-37.2000111.1R60 Y103 I109 P133 K134R60-D220 IonicContact CZ-OD1 3.09Å; R60-D220 VanDerWaalsContact NH1-CB 3.34Å; R60-D220 IonicContact NH1-OD1 2.67Å; R60-D220 PolarHBondContact NH1-OD1 3.12Å; R60-D220 IonicContact NH1-OD2 3.4Å; R60-D220 IonicContact NH2-OD1 2.88Å; R60-D220 PolarHBondContact NH2-OD1 3.24Å; Y103-D220 PolarHBondContact OH-OD1 3.29Å; I109-D220 PolarHBondContact N-O 3.08Å; P133-D220 WeakPolarHBondContact CA-OD2 3.38Å; P133-D220 HydrophobicContact CB-CB 3.89Å; K134-D220 HydrophobicContact CB-CB 4.38Å; K134-D220 PolarHBondContact N-OD2 3.47Å; K134-D220 WeakPolarHBondContact O-CB 3.22Å; K134-D220 PolarHBondContact O-N 3.5Å
221V94.6Very high90Very high3 Ų324.5 Ų24.52%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-126.8127.6178.1-1710000109.6L57 I109 P133 K134 C136 F223L57-V221 HydrophobicContact CD2-CG2 3.85Å; I109-V221 HydrophobicContact CB-CG1 4.41Å; I109-V221 HydrophobicContact CB-CG2 4.26Å; I109-V221 HydrophobicContact CD1-CG2 4.08Å; I109-V221 HydrophobicContact CG2-CG1 4.27Å; I109-V221 CarbonylContact O-C 3.59Å; I109-V221 WeakPolarHBondContact O-CA 3.48Å; P133-V221 HydrophobicContact CB-CG2 4.11Å; P133-V221 HydrophobicContact CG-CG2 4.22Å; K134-V221 PolarHBondContact O-N 2.73Å; K134-V221 VanDerWaalsContact O-N 3.14Å; C136-V221 PolarHBondContact N-O 2.74Å; V221-F223 HydrophobicContact CB-CE2 4.31Å; V221-F223 HydrophobicContact CG1-CD2 4.22Å; V221-F223 HydrophobicContact CG1-CE1 4.1Å; V221-F223 HydrophobicContact CG1-CE2 3.7Å; V221-F223 HydrophobicContact CG1-CZ 3.63Å
222I94.8Very high89.6Confident10 Ų1026.6 Ų26.65%0.05113%0.133CC..EExtended strand (participates in β ladder)trans-113.2111.3175.8-51.3169.9000108.5I109 Y111 C136 L138 K216 A219 M224I109-I222 PolarHBondContact O-N 2.83Å; Y111-I222 PolarHBondContact N-O 3.45Å; C136-I222 WeakPolarHBondContact O-CA 3.45Å; L138-I222 HydrophobicContact CD1-CG2 3.97Å; L138-I222 HydrophobicContact CG-CG2 3.97Å; K216-I222 HydrophobicContact CG-CD1 3.81Å; K216-I222 HydrophobicContact CG-CG1 4.38Å; K216-I222 HydrophobicContact CG-CG2 4.44Å; A219-I222 HydrophobicContact CB-CG1 3.95Å; I222-M224 HydrophobicContact CB-CE 4.21Å; I222-M224 HydrophobicContact CG2-CE 3.55Å
223F95.2Very high89.2Confident0 Ų029.3 Ų29.30%014%0.144CC..EExtended strand (participates in β ladder)trans-86.4131.4172.4-65.2-76.8000110.3L53 Y111 L119 V122 I123 L126 V135 C136 V137 L138 V221L53-F223 HydrophobicContact CD2-CZ 4.42Å; Y111-F223 AromaticContact CD1-CD1 3.87Å; Y111-F223 HydrophobicContact CD1-CD1 3.87Å; Y111-F223 AromaticContact CD1-CE1 3.95Å; Y111-F223 HydrophobicContact CD1-CE1 3.95Å; Y111-F223 HydrophobicContact CD2-CE1 4.08Å; Y111-F223 AromaticContact CG-CD1 3.8Å; Y111-F223 HydrophobicContact CG-CD1 3.8Å; Y111-F223 AromaticContact CG-CE1 3.63Å; Y111-F223 HydrophobicContact CG-CE1 3.63Å; Y111-F223 WeakPolarHBondContact O-CA 3.41Å; L119-F223 HydrophobicContact CD2-CB 4.2Å; L119-F223 HydrophobicContact CD2-CD1 4.19Å; V122-F223 HydrophobicContact CB-CE1 4.4Å; V122-F223 HydrophobicContact CG1-CD1 4.33Å; V122-F223 HydrophobicContact CG1-CE1 3.54Å; V122-F223 HydrophobicContact CG1-CZ 4.22Å; I123-F223 HydrophobicContact CD1-CB 4.46Å; I123-F223 HydrophobicContact CD1-CD2 3.99Å; I123-F223 HydrophobicContact CD1-CE2 4.48Å; I123-F223 HydrophobicContact CD1-CG 4.19Å; I123-F223 HydrophobicContact CG1-CD1 4.49Å; I123-F223 HydrophobicContact CG1-CD2 3.81Å; I123-F223 HydrophobicContact CG1-CE2 3.81Å; I123-F223 HydrophobicContact CG1-CG 4.16Å; I123-F223 HydrophobicContact CG1-CZ 4.18Å; L126-F223 HydrophobicContact CD2-CE2 4.19Å; L126-F223 HydrophobicContact CD2-CZ 4.12Å; V135-F223 HydrophobicContact CG1-CD2 3.67Å; V135-F223 HydrophobicContact CG1-CE2 3.67Å; V135-F223 HydrophobicContact CG2-CE2 4.2Å; C136-F223 PolarHBondContact O-N 2.65Å; V137-F223 WeakPolarHBondContact CA-O 3.29Å; V137-F223 HydrophobicContact CG1-CB 4.23Å; V137-F223 HydrophobicContact CG2-CB 4.25Å; V137-F223 HydrophobicContact CG2-CD2 4.42Å; L138-F223 PolarHBondContact N-O 3.3Å; V221-F223 HydrophobicContact CB-CE2 4.31Å; V221-F223 HydrophobicContact CG1-CD2 4.22Å; V221-F223 HydrophobicContact CG1-CE1 4.1Å; V221-F223 HydrophobicContact CG1-CE2 3.7Å; V221-F223 HydrophobicContact CG1-CZ 3.63Å
224M93.9Very high89Confident0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-153.9157.7177.465.2-175.773.600111.4I110 Y111 A112 S113 L119 L138 I222 L229 I240I110-M224 HydrophobicContact CG1-CE 4.36Å; I110-M224 HydrophobicContact CG2-CE 3.65Å; I110-M224 HydrophobicContact CG2-CG 4.39Å; I110-M224 HydrophobicContact CG2-SD 3.91Å; Y111-M224 PolarHBondContact O-N 3.11Å; Y111-M224 VanDerWaalsContact O-N 3.09Å; A112-M224 VanDerWaalsContact CA-O 3.29Å; A112-M224 WeakPolarHBondContact CA-O 3.25Å; S113-M224 PolarHBondContact N-O 2.76Å; L119-M224 VanDerWaalsContact CD1-C 3.45Å; L138-M224 HydrophobicContact CB-CB 4.26Å; L138-M224 HydrophobicContact CD1-CE 4.11Å; I222-M224 HydrophobicContact CB-CE 4.21Å; I222-M224 HydrophobicContact CG2-CE 3.55Å; M224-L229 HydrophobicContact SD-CB 4.07Å; M224-I240 HydrophobicContact CE-CD1 3.88Å; M224-I240 HydrophobicContact CE-CG1 4.43Å; M224-I240 HydrophobicContact CE-CG2 4.44Å; M224-I240 HydrophobicContact SD-CD1 3.74Å
225P92.1Very high88.9Confident7 Ų727.1 Ų27.15%0.04514%0.136CC..EExtended strand (participates in β ladder)trans-69.8146.5167.8-18.432.8000110.9S113 H116 L119 N227 Y228S113-P225 CarbonylContact O-C 3.49Å; S113-P225 VanDerWaalsContact O-CA 3.28Å; S113-P225 WeakPolarHBondContact O-CA 3.33Å; H116-P225 WeakPolarHBondContact NE2-CG 3.46Å; L119-P225 HydrophobicContact CD1-CG 4.34Å; P225-N227 WeakPolarHBondContact CB-OD1 3.49Å; P225-N227 PolarHBondContact O-N 3.29Å; P225-Y228 WeakPolarHBondContact O-CB 3.47Å; P225-Y228 PolarHBondContact O-N 2.7Å
226Y90.3Very high88.7Confident15 Ų1533 Ų336%0.05916%0.157CC..THydrogen-bonded Turntrans-61.7-21.7-17357.4-134.9000114.5S113 R114 Y228 L229 L230 N254 V255 T258S113-Y226 PolarHBondContact O-N 2.84Å; R114-Y226 HydrophobicContact CB-CD1 4.21Å; R114-Y226 HydrophobicContact CB-CE1 3.5Å; R114-Y226 VanDerWaalsContact CB-CE1 3.5Å; R114-Y226 HydrophobicContact CG-CE1 3.86Å; R114-Y226 WeakPolarHBondContact CG-OH 3.37Å; Y226-Y228 VanDerWaalsContact C-N 3.27Å; Y226-Y228 PolarHBondContact O-N 2.78Å; Y226-L229 PolarHBondContact O-N 3.24Å; Y226-L229 VanDerWaalsContact O-N 3.17Å; Y226-L230 HydrophobicContact CD2-CD1 4.2Å; Y226-L230 WeakPolarHBondContact O-CG 3.37Å; Y226-L230 PolarHBondContact O-N 3.48Å; Y226-N254 VanDerWaalsContact OH-CB 3.27Å; Y226-N254 WeakPolarHBondContact OH-CB 3.43Å; Y226-V255 HydrophobicContact CD1-CG2 4.27Å; Y226-T258 HydrophobicContact CD2-CG2 3.85Å; Y226-T258 HydrophobicContact CE2-CG2 3.63Å; Y226-T258 WeakPolarHBondContact CE2-OG1 3.4Å; Y226-T258 PolarHBondContact OH-OG1 2.88Å
227N89.6Confident88.4Confident67 Ų6734.4 Ų34.436%0.35817%0.171SC..Hα-helixtrans-70.3-26.7178.269.1-49000111.5P225 L229 D231 T258P225-N227 WeakPolarHBondContact CB-OD1 3.49Å; P225-N227 PolarHBondContact O-N 3.29Å; N227-L229 PolarHBondContact O-N 3.09Å; N227-D231 VanDerWaalsContact O-CB 3.28Å; N227-D231 WeakPolarHBondContact O-CB 3.39Å; N227-D231 PolarHBondContact O-N 3.33Å; N227-D231 VanDerWaalsContact O-N 3.08Å; N227-T258 HydrophobicContact CB-CG2 4.36Å
228Y90.2Very high88.4Confident26 Ų2628.8 Ų28.810%0.10215%0.145CC..Hα-helixtrans-67.2-20.3175-77.831.3000112.3L138 G139 S140 P225 Y226 R235 H238 I240L138-Y228 HydrophobicContact CB-CD2 4.28Å; L138-Y228 HydrophobicContact CB-CE2 4.45Å; G139-Y228 VanDerWaalsContact C-OH 3.22Å; G139-Y228 PolarHBondContact O-OH 2.99Å; S140-Y228 VanDerWaalsContact CA-OH 3.24Å; S140-Y228 WeakPolarHBondContact CA-OH 3.41Å; S140-Y228 WeakPolarHBondContact CB-OH 3.28Å; S140-Y228 PolarHBondContact N-OH 3.14Å; S140-Y228 VanDerWaalsContact N-OH 3.1Å; P225-Y228 WeakPolarHBondContact O-CB 3.47Å; P225-Y228 PolarHBondContact O-N 2.7Å; Y226-Y228 VanDerWaalsContact C-N 3.27Å; Y226-Y228 PolarHBondContact O-N 2.78Å; Y228-R235 VanDerWaalsContact O-CG 3.26Å; Y228-R235 WeakPolarHBondContact O-CG 3.36Å; Y228-R235 PolarHBondContact O-N 3.16Å; Y228-H238 AromaticContact CE2-CE1 3.56Å; Y228-H238 AromaticContact CE2-NE2 3.72Å; Y228-I240 WeakPolarHBondContact O-CD1 3.34Å
229L90.8Very high88.5Confident0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-100.6-35179.2-18062.2000112.6I110 A112 M224 Y226 N227 R235 L242 V247 F249 L468I110-L229 HydrophobicContact CG2-CD2 4.06Å; A112-L229 HydrophobicContact CB-CD2 4.17Å; M224-L229 HydrophobicContact SD-CB 4.07Å; Y226-L229 PolarHBondContact O-N 3.24Å; Y226-L229 VanDerWaalsContact O-N 3.17Å; N227-L229 PolarHBondContact O-N 3.09Å; L229-R235 WeakPolarHBondContact O-CD 3.42Å; L229-R235 PolarHBondContact O-NE 3.41Å; L229-L242 HydrophobicContact CD1-CD1 4.07Å; L229-L242 HydrophobicContact CD1-CD2 3.63Å; L229-L242 HydrophobicContact CD1-CG 4.5Å; L229-V247 HydrophobicContact CD2-CG1 3.64Å; L229-F249 HydrophobicContact CD2-CE1 3.91Å; L229-F249 HydrophobicContact CD2-CE2 4.05Å; L229-F249 HydrophobicContact CD2-CZ 3.51Å; L229-F249 HydrophobicContact CG-CZ 4.16Å; L229-L468 HydrophobicContact CD1-CD2 3.94Å; L229-L468 HydrophobicContact CG-CD2 4.19Å
230L90.2Very high88.4Confident0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-79.3-41.6-179-65.8173.7000112.4Y226 P232 R235 F249 V255 T258 C259 M465 L468Y226-L230 HydrophobicContact CD2-CD1 4.2Å; Y226-L230 WeakPolarHBondContact O-CG 3.37Å; Y226-L230 PolarHBondContact O-N 3.48Å; L230-P232 WeakPolarHBondContact O-CD 3.47Å; L230-R235 PolarHBondContact O-NH2 3.32Å; L230-F249 HydrophobicContact CD1-CE1 4.25Å; L230-F249 HydrophobicContact CD2-CE1 3.87Å; L230-F249 HydrophobicContact CD2-CZ 3.77Å; L230-F249 HydrophobicContact CG-CE1 3.99Å; L230-F249 HydrophobicContact CG-CZ 4.35Å; L230-V255 HydrophobicContact CD1-CG1 4.22Å; L230-T258 HydrophobicContact CD1-CG2 3.86Å; L230-C259 VanDerWaalsContact CD2-SG 3.59Å; L230-M465 HydrophobicContact CD2-SD 4.23Å; L230-L468 HydrophobicContact CD2-CD1 4.07Å
231D85.9Confident88.1Confident36 Ų3635.4 Ų35.419%0.19318%0.179CC..  trans-72.6121.1176.6168.927.2000111.3N227 K233 S234 R235N227-D231 VanDerWaalsContact O-CB 3.28Å; N227-D231 WeakPolarHBondContact O-CB 3.39Å; N227-D231 PolarHBondContact O-N 3.33Å; N227-D231 VanDerWaalsContact O-N 3.08Å; D231-K233 VanDerWaalsContact C-N 3.28Å; D231-K233 PolarHBondContact O-N 2.88Å; D231-K233 VanDerWaalsContact OD1-CB 3.32Å; D231-K233 WeakPolarHBondContact OD1-CB 2.95Å; D231-K233 PolarHBondContact OD1-N 3.4Å; D231-S234 PolarHBondContact O-N 3.09Å; D231-S234 WeakPolarHBondContact OD2-CB 3.47Å; D231-S234 PolarHBondContact OD2-N 2.91Å; D231-S234 PolarHBondContact OD2-OG 3.19Å; D231-R235 PolarHBondContact O-N 3.21Å
232P81.7Confident87.9Confident44 Ų4435.6 Ų35.629%0.28618%0.18SC..Hα-helixtrans-59.7-34.3173.8-21.533.1000113.5L230 R236L230-P232 WeakPolarHBondContact O-CD 3.47Å; P232-R236 WeakPolarHBondContact O-CB 3.21Å; P232-R236 WeakPolarHBondContact O-CG 3.1Å; P232-R236 PolarHBondContact O-N 3.32Å
233K81.6Confident87.6Confident59 Ų5940.5 Ų40.526%0.25721%0.207SC..Hα-helixtrans-67.1-46.7179.8172.6177171.6170.90110.9D231 R236 A237 Q390 D394D231-K233 VanDerWaalsContact C-N 3.28Å; D231-K233 PolarHBondContact O-N 2.88Å; D231-K233 VanDerWaalsContact OD1-CB 3.32Å; D231-K233 WeakPolarHBondContact OD1-CB 2.95Å; D231-K233 PolarHBondContact OD1-N 3.4Å; K233-R236 PolarHBondContact O-N 2.94Å; K233-A237 WeakPolarHBondContact O-CB 3.33Å; K233-A237 PolarHBondContact O-N 3.49Å; K233-Q390 VanDerWaalsContact NZ-CD 3.29Å; K233-D394 IonicContact NZ-OD1 3.81Å; K233-D394 PolarHBondContact NZ-OD1 3.38Å; K233-D394 IonicContact NZ-OD2 2.78Å; K233-D394 PolarHBondContact NZ-OD2 3.28Å
234S85.2Confident87.3Confident25 Ų2541.8 Ų41.818%0.17522%0.22CC..Hα-helixtrans-63.9-42.1175.5-640000112.4D231 R236 A237 H238D231-S234 PolarHBondContact O-N 3.09Å; D231-S234 WeakPolarHBondContact OD2-CB 3.47Å; D231-S234 PolarHBondContact OD2-N 2.91Å; D231-S234 PolarHBondContact OD2-OG 3.19Å; S234-R236 PolarHBondContact O-N 3.11Å; S234-A237 PolarHBondContact O-N 2.67Å; S234-H238 PolarHBondContact O-N 2.91Å
235R86.9Confident87.3Confident11 Ų1142 Ų424%0.04222%0.221CC..Hα-helixtrans-56.9-49.1172.8-85.3-175.3-78.2164.3-9.8112.5Y228 L229 L230 D231 H238 N239 I240 D467Y228-R235 VanDerWaalsContact O-CG 3.26Å; Y228-R235 WeakPolarHBondContact O-CG 3.36Å; Y228-R235 PolarHBondContact O-N 3.16Å; L229-R235 WeakPolarHBondContact O-CD 3.42Å; L229-R235 PolarHBondContact O-NE 3.41Å; L230-R235 PolarHBondContact O-NH2 3.32Å; D231-R235 PolarHBondContact O-N 3.21Å; R235-H238 PolarHBondContact O-N 3.01Å; R235-N239 PolarHBondContact O-N 3.24Å; R235-I240 HydrophobicContact CG-CB 4.4Å; R235-I240 HydrophobicContact CG-CD1 4.34Å; R235-I240 PolarHBondContact O-N 3.31Å; R235-I240 VanDerWaalsContact O-N 3.11Å; R235-D467 IonicContact CZ-OD2 3.56Å; R235-D467 IonicContact NH1-OD2 3.75Å; R235-D467 PolarHBondContact NH1-OD2 3.14Å; R235-D467 IonicContact NH2-OD2 2.78Å; R235-D467 PolarHBondContact NH2-OD2 3.25Å
236R82.9Confident87.5Confident142 Ų14241.6 Ų41.654%0.53622%0.219SC..Hα-helixtrans-59.5-48.6174.4-73.8-170.3-69.7-113.98.2110.9P232 K233 S234 H238 N239P232-R236 WeakPolarHBondContact O-CB 3.21Å; P232-R236 WeakPolarHBondContact O-CG 3.1Å; P232-R236 PolarHBondContact O-N 3.32Å; K233-R236 PolarHBondContact O-N 2.94Å; S234-R236 PolarHBondContact O-N 3.11Å; R236-H238 PolarHBondContact O-N 3.23Å; R236-N239 PolarHBondContact O-N 3.19Å; R236-N239 VanDerWaalsContact O-N 3.11Å; R236-N239 PolarHBondContact O-OD1 3.1Å
237A81.5Confident87.8Confident47 Ų4740.9 Ų40.939%0.38822%0.216SC..Hα-helixtrans-61.7-26.9-178.600000114.2R213 K233 S234R213-A237 PolarHBondContact NH1-O 3.41Å; R213-A237 PolarHBondContact NH2-O 2.91Å; K233-A237 WeakPolarHBondContact O-CB 3.33Å; K233-A237 PolarHBondContact O-N 3.49Å; S234-A237 PolarHBondContact O-N 2.67Å
238H84.1Confident88.2Confident15 Ų1537.8 Ų37.87%0.06920%0.199CC..Hα-helixtrans-101.3-0.1177.7-77.5-106.5000114.2L138 K216 Y228 S234 R235 R236 I240L138-H238 HydrophobicContact CD1-CB 4.37Å; K216-H238 PolarHBondContact NZ-O 3.23Å; Y228-H238 AromaticContact CE2-CE1 3.56Å; Y228-H238 AromaticContact CE2-NE2 3.72Å; S234-H238 PolarHBondContact O-N 2.91Å; R235-H238 PolarHBondContact O-N 3.01Å; R236-H238 PolarHBondContact O-N 3.23Å; H238-I240 HydrophobicContact CB-CD1 4.05Å; H238-I240 HydrophobicContact CB-CG1 3.89Å
239N85.3Confident88.4Confident106 Ų10636.5 Ų36.557%0.56719%0.194SC*.THydrogen-bonded Turntrans48.953-173.5-60.96.3000111.8K216 R235 R236 E241K216-N239 PolarHBondContact NZ-O 3.46Å; R235-N239 PolarHBondContact O-N 3.24Å; R236-N239 PolarHBondContact O-N 3.19Å; R236-N239 VanDerWaalsContact O-N 3.11Å; R236-N239 PolarHBondContact O-OD1 3.1Å; N239-E241 PolarHBondContact O-N 2.97Å
240I87.4Confident88.5Confident19 Ų1936.9 Ų36.910%0.09720%0.196CC..  trans-78.7117.5-177.3-64171.9000109.8I110 L138 M224 Y228 R235 H238 L242I110-I240 HydrophobicContact CD1-CG2 3.94Å; L138-I240 HydrophobicContact CD1-CD1 4.36Å; L138-I240 HydrophobicContact CD1-CG1 4.42Å; M224-I240 HydrophobicContact CE-CD1 3.88Å; M224-I240 HydrophobicContact CE-CG1 4.43Å; M224-I240 HydrophobicContact CE-CG2 4.44Å; M224-I240 HydrophobicContact SD-CD1 3.74Å; Y228-I240 WeakPolarHBondContact O-CD1 3.34Å; R235-I240 HydrophobicContact CG-CB 4.4Å; R235-I240 HydrophobicContact CG-CD1 4.34Å; R235-I240 PolarHBondContact O-N 3.31Å; R235-I240 VanDerWaalsContact O-N 3.11Å; H238-I240 HydrophobicContact CB-CD1 4.05Å; H238-I240 HydrophobicContact CB-CG1 3.89Å; I240-L242 HydrophobicContact CG2-CD2 3.7Å; I240-L242 HydrophobicContact CG2-CG 4.38Å
241E86.4Confident88.5Confident112 Ų11238.5 Ų38.552%0.52320%0.204SC..  trans-81.5123.9174.7-67.8150.1-147.900109.8K108 N239K108-E241 IonicContact NZ-OE2 2.67Å; K108-E241 PolarHBondContact NZ-OE2 3.39Å; N239-E241 PolarHBondContact O-N 2.97Å
242L88.9Confident88.7Confident6 Ų636.8 Ų36.83%0.03120%0.195CC..  trans-110.4-20.6-179.7-65.9-167.4000114.9I110 L229 I240 G244 A245 L468 Q471 V473I110-L242 HydrophobicContact CD1-CD2 3.44Å; I110-L242 VanDerWaalsContact CD1-CD2 3.44Å; L229-L242 HydrophobicContact CD1-CD1 4.07Å; L229-L242 HydrophobicContact CD1-CD2 3.63Å; L229-L242 HydrophobicContact CD1-CG 4.5Å; I240-L242 HydrophobicContact CG2-CD2 3.7Å; I240-L242 HydrophobicContact CG2-CG 4.38Å; L242-G244 PolarHBondContact O-N 3.43Å; L242-A245 VanDerWaalsContact O-CB 3.29Å; L242-A245 WeakPolarHBondContact O-CB 3.44Å; L242-A245 PolarHBondContact O-N 3.41Å; L242-L468 HydrophobicContact CD1-CD2 3.5Å; L242-Q471 CarbonylContact C-O 3.55Å; L242-Q471 HydrophobicContact CB-CB 4.06Å; L242-Q471 HydrophobicContact CD1-CB 4.35Å; L242-V473 HydrophobicContact CB-CG1 3.85Å; L242-V473 HydrophobicContact CD1-CG1 4.37Å
243N90.4Very high88.9Confident114 Ų11435.4 Ų35.461%0.6118%0.184SC*.THydrogen-bonded Turntrans-59.3125.4-179.5-167.6-36.9000110.6A245 Q471 E472N243-A245 PolarHBondContact O-N 3.22Å; N243-A245 VanDerWaalsContact O-N 3.09Å; N243-Q471 WeakPolarHBondContact CA-O 3.35Å; N243-Q471 PolarHBondContact N-O 2.84Å; N243-E472 HydrophobicContact CB-CB 4.5Å; N243-E472 PolarHBondContact ND2-OE2 3.21Å
244G88.9Confident89.2Confident27 Ų2733.7 Ų33.728%0.27818%0.178SC..THydrogen-bonded Turntrans69.2-0.9-178.500000115.3P107 L242 E472 R474P107-G244 WeakPolarHBondContact CB-O 3.45Å; L242-G244 PolarHBondContact O-N 3.43Å; G244-E472 PolarHBondContact N-O 3.03Å; G244-R474 WeakPolarHBondContact O-CB 3.47Å
245A93.2Very high89.4Confident3 Ų332.5 Ų32.53%0.02517%0.17CC..  trans-75148.2-177.300000112.3K108 I110 L242 N243 R474K108-A245 WeakPolarHBondContact O-CA 3.29Å; I110-A245 HydrophobicContact CD1-CB 4.16Å; L242-A245 VanDerWaalsContact O-CB 3.29Å; L242-A245 WeakPolarHBondContact O-CB 3.44Å; L242-A245 PolarHBondContact O-N 3.41Å; N243-A245 PolarHBondContact O-N 3.22Å; N243-A245 VanDerWaalsContact O-N 3.09Å; A245-R474 WeakPolarHBondContact O-CB 3.35Å; A245-R474 PolarHBondContact O-N 3Å
246V96.1Very high89.5Confident0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-89.5119.4169.3170.10000107.9L32 T56 W59 P107 K108 I109 I110 I248 R474L32-V246 HydrophobicContact CD2-CB 4.28Å; L32-V246 HydrophobicContact CD2-CG1 3.48Å; L32-V246 VanDerWaalsContact CD2-CG1 3.48Å; L32-V246 HydrophobicContact CD2-CG2 3.73Å; T56-V246 HydrophobicContact CG2-CG1 4.36Å; W59-V246 HydrophobicContact CH2-CG2 4.14Å; W59-V246 HydrophobicContact CZ3-CG2 3.92Å; P107-V246 HydrophobicContact CB-CG2 4.2Å; K108-V246 PolarHBondContact O-N 3.42Å; I109-V246 HydrophobicContact CG1-CB 4.47Å; I110-V246 PolarHBondContact N-O 2.9Å; V246-I248 HydrophobicContact CG1-CD1 4.39Å; V246-I248 HydrophobicContact CG1-CG1 4.16Å; V246-R474 HydrophobicContact CG2-CB 4.44Å
247V96.6Very high89.8Confident0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-105.6124.1-179.8171.80000110L229 F249 V473 C475 V476 I477L229-V247 HydrophobicContact CD2-CG1 3.64Å; V247-F249 HydrophobicContact CG1-CD2 3.8Å; V247-F249 HydrophobicContact CG1-CE2 3.37Å; V247-F249 HydrophobicContact CG1-CZ 4.16Å; V247-V473 HydrophobicContact CG2-CB 4.41Å; V247-V473 HydrophobicContact CG2-CG1 3.89Å; V247-C475 PolarHBondContact N-O 2.74Å; V247-V476 HydrophobicContact CB-CG2 4.35Å; V247-V476 HydrophobicContact CG1-CG1 4.29Å; V247-V476 CarbonylContact O-C 3.55Å; V247-V476 WeakPolarHBondContact O-CA 3.19Å; V247-I477 PolarHBondContact O-N 3.07Å
248I97.1Very high90.3Very high1 Ų128.9 Ų28.91%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-120127.7177.8-62177.6000108.5L52 T56 I109 I110 Y111 A112 V246 I477L52-I248 HydrophobicContact CD1-CD1 4.28Å; L52-I248 HydrophobicContact CD1-CG2 4.31Å; L52-I248 HydrophobicContact CD2-CG2 3.6Å; L52-I248 HydrophobicContact CG-CD1 4.37Å; L52-I248 HydrophobicContact CG-CG2 4.17Å; T56-I248 HydrophobicContact CG2-CD1 4.07Å; I109-I248 HydrophobicContact CG2-CD1 4.1Å; I110-I248 PolarHBondContact O-N 2.68Å; Y111-I248 HydrophobicContact CD2-CB 4.47Å; Y111-I248 HydrophobicContact CD2-CD1 4.41Å; Y111-I248 HydrophobicContact CD2-CG2 4.16Å; Y111-I248 HydrophobicContact CE2-CG2 4.15Å; A112-I248 WeakPolarHBondContact CA-O 3.32Å; A112-I248 WeakPolarHBondContact CB-O 3.2Å; A112-I248 PolarHBondContact N-O 3.04Å; V246-I248 HydrophobicContact CG1-CD1 4.39Å; V246-I248 HydrophobicContact CG1-CG1 4.16Å; I248-I477 WeakPolarHBondContact CA-O 2.74Å; I248-I477 HydrophobicContact CG1-CB 4.41Å
249F95.8Very high90.6Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-111.3110.6166.9-65.4-98.9000109.2A112 L229 L230 V247 A252 V255 L468 V476 I477 L478 T479A112-F249 HydrophobicContact CB-CD1 3.91Å; A112-F249 HydrophobicContact CB-CE1 4.28Å; A112-F249 HydrophobicContact CB-CG 4.36Å; A112-F249 WeakPolarHBondContact O-CA 3.34Å; L229-F249 HydrophobicContact CD2-CE1 3.91Å; L229-F249 HydrophobicContact CD2-CE2 4.05Å; L229-F249 HydrophobicContact CD2-CZ 3.51Å; L229-F249 HydrophobicContact CG-CZ 4.16Å; L230-F249 HydrophobicContact CD1-CE1 4.25Å; L230-F249 HydrophobicContact CD2-CE1 3.87Å; L230-F249 HydrophobicContact CD2-CZ 3.77Å; L230-F249 HydrophobicContact CG-CE1 3.99Å; L230-F249 HydrophobicContact CG-CZ 4.35Å; V247-F249 HydrophobicContact CG1-CD2 3.8Å; V247-F249 HydrophobicContact CG1-CE2 3.37Å; V247-F249 HydrophobicContact CG1-CZ 4.16Å; F249-A252 HydrophobicContact CB-CB 4.02Å; F249-V255 HydrophobicContact CB-CG2 4.29Å; F249-V255 HydrophobicContact CD1-CG2 3.78Å; F249-V255 HydrophobicContact CE1-CG2 4.4Å; F249-V255 HydrophobicContact CG-CG2 4.25Å; F249-L468 HydrophobicContact CE2-CD1 4.2Å; F249-L468 HydrophobicContact CZ-CD1 3.89Å; F249-V476 HydrophobicContact CD2-CG1 3.96Å; F249-V476 HydrophobicContact CE2-CG1 3.87Å; F249-I477 PolarHBondContact N-O 3.19Å; F249-L478 HydrophobicContact CB-CD2 3.71Å; F249-L478 HydrophobicContact CD2-CD2 3.4Å; F249-L478 HydrophobicContact CE2-CD2 4.18Å; F249-L478 HydrophobicContact CG-CD2 3.79Å; F249-T479 PolarHBondContact O-N 3.09Å
250D93.4Very high90.9Very high7 Ų724 Ų244%0.03713%0.125CC..THydrogen-bonded Turntrans-93.2150.1171.5-166.412.7000111.3T49 Y111 A112 A252 T479T49-D250 PolarHBondContact OG1-OD2 3.08Å; Y111-D250 HydrophobicContact CE1-CB 3.67Å; Y111-D250 WeakPolarHBondContact OH-CB 3.42Å; Y111-D250 PolarHBondContact OH-OD2 2.79Å; A112-D250 PolarHBondContact O-N 3.07Å; D250-A252 PolarHBondContact O-N 3.35Å; D250-T479 HydrophobicContact CB-CG2 4.33Å
251E89.6Confident91Very high34 Ų3427.4 Ų27.416%0.15914%0.14CC..THydrogen-bonded Turntrans41.347-162.8-73.2-58.7150.500113.9K48 H253 T479 S480 G481K48-E251 WeakPolarHBondContact CE-OE1 3.24Å; K48-E251 IonicContact NZ-OE1 2.79Å; K48-E251 PolarHBondContact NZ-OE1 2.7Å; E251-H253 PolarHBondContact O-N 3.25Å; E251-H253 PolarHBondContact O-ND1 3.23Å; E251-H253 IonicContact OE2-CE1 3.63Å; E251-H253 PolarHBondContact OE2-CE1 3.09Å; E251-H253 VanDerWaalsContact OE2-CE1 3.25Å; E251-H253 IonicContact OE2-ND1 2.69Å; E251-H253 PolarHBondContact OE2-ND1 3.19Å; E251-T479 WeakPolarHBondContact CA-O 3.42Å; E251-T479 PolarHBondContact N-O 3Å; E251-S480 WeakPolarHBondContact OE2-CB 3.37Å; E251-S480 PolarHBondContact OE2-OG 3.05Å; E251-G481 PolarHBondContact OE1-N 3.1Å
252A90.7Very high91Very high0 Ų023.6 Ų23.60%013%0.126CC..G310 helixtrans-62.64.9-175.200000116.3F249 D250 N254 V255 L478 T479F249-A252 HydrophobicContact CB-CB 4.02Å; D250-A252 PolarHBondContact O-N 3.35Å; A252-N254 PolarHBondContact O-N 2.93Å; A252-V255 HydrophobicContact CB-CG2 3.91Å; A252-V255 WeakPolarHBondContact O-CB 3.49Å; A252-V255 PolarHBondContact O-N 2.84Å; A252-L478 HydrophobicContact CB-CB 4.12Å; A252-L478 HydrophobicContact CB-CD2 4.49Å; A252-T479 WeakPolarHBondContact CB-O 3.37Å; A252-T479 PolarHBondContact N-O 3.47Å
253H85.9Confident91.1Very high16 Ų1623.4 Ų23.47%0.07413%0.125CC..G310 helixtrans-67-2.9-17663.4-108.2000114.7E251 S480 L483 Q694E251-H253 PolarHBondContact O-N 3.25Å; E251-H253 PolarHBondContact O-ND1 3.23Å; E251-H253 IonicContact OE2-CE1 3.63Å; E251-H253 PolarHBondContact OE2-CE1 3.09Å; E251-H253 VanDerWaalsContact OE2-CE1 3.25Å; E251-H253 IonicContact OE2-ND1 2.69Å; E251-H253 PolarHBondContact OE2-ND1 3.19Å; H253-S480 PolarHBondContact ND1-OG 3.32Å; H253-L483 HydrophobicContact CB-CD2 4.07Å; H253-Q694 PolarHBondContact CD2-NE2 3.28Å
254N86.1Confident91.1Very high22 Ų2219 Ų1912%0.11810%0.103CC..G310 helixtrans-118-0.9171.4-62.2121000114.2R114 Y226 A252 E256 K257 T258R114-N254 WeakPolarHBondContact CD-OD1 3.29Å; R114-N254 VanDerWaalsContact CZ-OD1 3.26Å; R114-N254 PolarHBondContact NE-OD1 3.18Å; R114-N254 PolarHBondContact NH1-OD1 3.32Å; Y226-N254 VanDerWaalsContact OH-CB 3.27Å; Y226-N254 WeakPolarHBondContact OH-CB 3.43Å; A252-N254 PolarHBondContact O-N 2.93Å; N254-E256 PolarHBondContact O-N 2.84Å; N254-K257 WeakPolarHBondContact O-CB 3.36Å; N254-K257 PolarHBondContact O-N 3.01Å; N254-T258 PolarHBondContact O-N 3.19Å
255V90.8Very high91.3Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-57.9-40-176.1170.30000110.8Y226 L230 F249 A252 K257 T258 C259 M465 M493Y226-V255 HydrophobicContact CD1-CG2 4.27Å; L230-V255 HydrophobicContact CD1-CG1 4.22Å; F249-V255 HydrophobicContact CB-CG2 4.29Å; F249-V255 HydrophobicContact CD1-CG2 3.78Å; F249-V255 HydrophobicContact CE1-CG2 4.4Å; F249-V255 HydrophobicContact CG-CG2 4.25Å; A252-V255 HydrophobicContact CB-CG2 3.91Å; A252-V255 WeakPolarHBondContact O-CB 3.49Å; A252-V255 PolarHBondContact O-N 2.84Å; V255-K257 VanDerWaalsContact C-N 3.25Å; V255-K257 PolarHBondContact O-N 3.05Å; V255-T258 PolarHBondContact O-N 3.22Å; V255-C259 WeakPolarHBondContact O-CB 3.42Å; V255-C259 PolarHBondContact O-N 2.82Å; V255-C259 PolarHBondContact O-SG 3.23Å; V255-M465 HydrophobicContact CG1-SD 4.14Å; V255-M493 HydrophobicContact CB-CE 4.04Å; V255-M493 HydrophobicContact CG1-CE 3.87Å
256E89.5Confident91.3Very high10 Ų1022.4 Ų22.45%0.04711%0.113CC..Hα-helixtrans-48.3-47.3172.466.3-166.7-13500112.3N254 E260 P461 F489 M493 Q687 R690N254-E256 PolarHBondContact O-N 2.84Å; E256-E260 PolarHBondContact O-N 3.27Å; E256-P461 HydrophobicContact CB-CG 4.4Å; E256-P461 WeakPolarHBondContact O-CB 3.4Å; E256-F489 WeakPolarHBondContact OE2-CD2 3.37Å; E256-F489 WeakPolarHBondContact OE2-CE2 3.32Å; E256-M493 HydrophobicContact CB-CE 4.04Å; E256-Q687 PolarHBondContact OE1-NE2 3.4Å; E256-R690 IonicContact OE1-CZ 3.05Å; E256-R690 IonicContact OE1-NH1 2.95Å; E256-R690 PolarHBondContact OE1-NH1 2.65Å; E256-R690 IonicContact OE2-CZ 3.37Å; E256-R690 IonicContact OE2-NE 3.45Å; E256-R690 IonicContact OE2-NH1 3.9Å; E256-R690 PolarHBondContact OE2-NH1 3Å; E256-R690 IonicContact OE2-NH2 3.94Å
257K88.9Confident91.1Very high97 Ų9722.8 Ų22.842%0.42212%0.115SC..Hα-helixtrans-77.2-41.8-174.6-173.1-171.2176.5-129.90110.4N254 V255 E260 E261N254-K257 WeakPolarHBondContact O-CB 3.36Å; N254-K257 PolarHBondContact O-N 3.01Å; V255-K257 VanDerWaalsContact C-N 3.25Å; V255-K257 PolarHBondContact O-N 3.05Å; K257-E260 PolarHBondContact O-N 3.34Å; K257-E261 WeakPolarHBondContact CE-OE1 3.41Å; K257-E261 VanDerWaalsContact CE-OE2 3.3Å; K257-E261 WeakPolarHBondContact CE-OE2 3.48Å; K257-E261 HydrophobicContact CG-CG 4.35Å; K257-E261 IonicContact NZ-OE1 2.74Å; K257-E261 PolarHBondContact NZ-OE1 3.02Å; K257-E261 IonicContact NZ-OE2 3.08Å; K257-E261 PolarHBondContact NZ-OE2 2.83Å; K257-E261 VanDerWaalsContact NZ-OE2 3.07Å; K257-E261 WeakPolarHBondContact O-CB 3.49Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 3.22Å
258T90.8Very high90.8Very high18 Ų1824.4 Ų24.411%0.1113%0.125CC..Hα-helixtrans-69.7-33.7179.7-60.80000112.5Y226 N227 L230 N254 V255 E260 E261 S262Y226-T258 HydrophobicContact CD2-CG2 3.85Å; Y226-T258 HydrophobicContact CE2-CG2 3.63Å; Y226-T258 WeakPolarHBondContact CE2-OG1 3.4Å; Y226-T258 PolarHBondContact OH-OG1 2.88Å; N227-T258 HydrophobicContact CB-CG2 4.36Å; L230-T258 HydrophobicContact CD1-CG2 3.86Å; N254-T258 PolarHBondContact O-N 3.19Å; V255-T258 PolarHBondContact O-N 3.22Å; T258-E260 VanDerWaalsContact C-N 3.32Å; T258-E260 PolarHBondContact O-N 3.16Å; T258-E261 PolarHBondContact O-N 3.41Å; T258-S262 VanDerWaalsContact O-CB 3.23Å; T258-S262 WeakPolarHBondContact O-CB 3.43Å; T258-S262 PolarHBondContact O-N 3.33Å; T258-S262 PolarHBondContact O-OG 3.36Å; T258-S262 VanDerWaalsContact O-OG 3.14Å
259C91.6Very high90.4Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-60.6-40.8171.3-67.90000112.2L230 V255 S262 T263 P461 S464L230-C259 VanDerWaalsContact CD2-SG 3.59Å; V255-C259 WeakPolarHBondContact O-CB 3.42Å; V255-C259 PolarHBondContact O-N 2.82Å; V255-C259 PolarHBondContact O-SG 3.23Å; C259-S262 PolarHBondContact O-OG 2.97Å; C259-T263 PolarHBondContact O-N 2.83Å; C259-T263 PolarHBondContact O-OG1 3.06Å; C259-P461 HydrophobicContact CB-CB 3.45Å; C259-P461 VanDerWaalsContact CB-CB 3.45Å; C259-S464 PolarHBondContact O-OG 2.91Å
260E91.3Very high90.1Very high17 Ų1732.2 Ų32.28%0.07916%0.159CC..Hα-helixtrans-69.6-46.3175.3-70.4-178.4-178.400112.3E256 K257 T258 T263 S264 K660E256-E260 PolarHBondContact O-N 3.27Å; K257-E260 PolarHBondContact O-N 3.34Å; T258-E260 VanDerWaalsContact C-N 3.32Å; T258-E260 PolarHBondContact O-N 3.16Å; E260-T263 CarbonylContact O-C 3.53Å; E260-T263 PolarHBondContact O-N 3.49Å; E260-S264 WeakPolarHBondContact O-CB 3.29Å; E260-S264 PolarHBondContact O-N 3.28Å; E260-S264 VanDerWaalsContact O-N 3.12Å; E260-S264 PolarHBondContact O-OG 2.96Å; E260-K660 IonicContact OE1-NZ 3.14Å; E260-K660 PolarHBondContact OE1-NZ 3.47Å
261E88.9Confident89.9Confident91 Ų9132.5 Ų32.543%0.42516%0.16SC..Hα-helixtrans-64.6-38.8178.7-74.7178.5139.800112.1K257 T258 T263 S264K257-E261 WeakPolarHBondContact CE-OE1 3.41Å; K257-E261 VanDerWaalsContact CE-OE2 3.3Å; K257-E261 WeakPolarHBondContact CE-OE2 3.48Å; K257-E261 HydrophobicContact CG-CG 4.35Å; K257-E261 IonicContact NZ-OE1 2.74Å; K257-E261 PolarHBondContact NZ-OE1 3.02Å; K257-E261 IonicContact NZ-OE2 3.08Å; K257-E261 PolarHBondContact NZ-OE2 2.83Å; K257-E261 VanDerWaalsContact NZ-OE2 3.07Å; K257-E261 WeakPolarHBondContact O-CB 3.49Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 3.22Å; T258-E261 PolarHBondContact O-N 3.41Å; E261-T263 PolarHBondContact O-N 3.28Å; E261-S264 PolarHBondContact O-N 3.27Å
262S87.4Confident89.9Confident32 Ų3231.1 Ų31.122%0.22415%0.154CC..THydrogen-bonded Turntrans-73.7-7.8176.978.50000113.9T258 C259T258-S262 VanDerWaalsContact O-CB 3.23Å; T258-S262 WeakPolarHBondContact O-CB 3.43Å; T258-S262 PolarHBondContact O-N 3.33Å; T258-S262 PolarHBondContact O-OG 3.36Å; T258-S262 VanDerWaalsContact O-OG 3.14Å; C259-S262 PolarHBondContact O-OG 2.97Å
263T89.2Confident89.9Confident3 Ų333 Ų332%0.01817%0.17CC..THydrogen-bonded Turntrans-126.127.5176.959.90000111.5C259 E260 E261 L398 F420 C458 F463 S464C259-T263 PolarHBondContact O-N 2.83Å; C259-T263 PolarHBondContact O-OG1 3.06Å; E260-T263 CarbonylContact O-C 3.53Å; E260-T263 PolarHBondContact O-N 3.49Å; E261-T263 PolarHBondContact O-N 3.28Å; T263-L398 HydrophobicContact CG2-CD1 4.32Å; T263-F420 VanDerWaalsContact O-CE1 3.28Å; T263-F420 WeakPolarHBondContact O-CE1 3.34Å; T263-C458 VanDerWaalsContact O-CB 3.24Å; T263-C458 WeakPolarHBondContact O-CB 3.28Å; T263-C458 VanDerWaalsContact OG1-CB 3.25Å; T263-C458 WeakPolarHBondContact OG1-CB 3.39Å; T263-C458 PolarHBondContact OG1-SG 3.44Å; T263-F463 HydrophobicContact CG2-CD1 4.02Å; T263-F463 HydrophobicContact CG2-CE1 4.27Å; T263-S464 WeakPolarHBondContact CG2-OG 3.48Å
264S92.4Very high90Very high21 Ų2133.1 Ų33.115%0.14717%0.173CC..  trans-127.1150171.8-61.50000110E260 E261 Y456 C458 R656E260-S264 WeakPolarHBondContact O-CB 3.29Å; E260-S264 PolarHBondContact O-N 3.28Å; E260-S264 VanDerWaalsContact O-N 3.12Å; E260-S264 PolarHBondContact O-OG 2.96Å; E261-S264 PolarHBondContact O-N 3.27Å; S264-Y456 VanDerWaalsContact CA-O 3.26Å; S264-Y456 WeakPolarHBondContact CA-O 3.37Å; S264-C458 PolarHBondContact OG-N 2.7Å; S264-R656 PolarHBondContact OG-NH2 3.3Å
265F92.1Very high90.1Very high33 Ų3332.1 Ų32.115%0.14517%0.167CC..EExtended strand (participates in β ladder)trans-138.1154.6165.666.8-99.1000111.8L267 I348 M395 L398 V399 Y456F265-L267 HydrophobicContact CD2-CB 4.37Å; F265-L267 HydrophobicContact CE2-CB 4.47Å; F265-I348 HydrophobicContact CZ-CD1 4.38Å; F265-M395 HydrophobicContact CD1-CB 4.36Å; F265-M395 HydrophobicContact CD1-CG 4.35Å; F265-M395 HydrophobicContact CE1-CB 4.13Å; F265-M395 HydrophobicContact CE1-CG 3.64Å; F265-M395 HydrophobicContact CE2-CG 3.99Å; F265-M395 HydrophobicContact CE2-SD 3.97Å; F265-M395 HydrophobicContact CZ-CB 4.24Å; F265-M395 HydrophobicContact CZ-CG 3.45Å; F265-M395 VanDerWaalsContact CZ-CG 3.45Å; F265-M395 HydrophobicContact CZ-SD 3.84Å; F265-L398 HydrophobicContact CD1-CD2 3.89Å; F265-L398 HydrophobicContact CE1-CD2 4.28Å; F265-V399 HydrophobicContact CE1-CG2 3.91Å; F265-V399 HydrophobicContact CZ-CG2 4.28Å; F265-Y456 HydrophobicContact CD1-CD1 4.25Å; F265-Y456 VanDerWaalsContact CE1-CB 3.47Å; F265-Y456 AromaticContact CE1-CD1 3.58Å; F265-Y456 HydrophobicContact CE1-CD1 3.58Å; F265-Y456 AromaticContact CE1-CG 3.89Å; F265-Y456 HydrophobicContact CE1-CG 3.89Å; F265-Y456 HydrophobicContact CZ-CD1 4.18Å; F265-Y456 HydrophobicContact CZ-CG 4.04Å; F265-Y456 PolarHBondContact N-O 3.47Å; F265-Y456 PolarHBondContact O-N 3.49Å
266D92.2Very high90.1Very high69 Ų6933 Ų3337%0.36917%0.172SC..EExtended strand (participates in β ladder)trans-123116.7169.3-59.6-48.8000107.9K391 S455 W457D266-K391 PolarHBondContact O-NZ 2.68Å; D266-S455 VanDerWaalsContact OD1-CB 3.28Å; D266-S455 WeakPolarHBondContact OD1-CB 3.34Å; D266-S455 PolarHBondContact OD1-OG 3.25Å; D266-W457 PolarHBondContact OD1-NE1 2.88Å
267L92.1Very high90Very high7 Ų735.7 Ų35.74%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-102.2109.8177.2-177.768.9000108.2F265 D271 I272 L326 I330 M395 L454F265-L267 HydrophobicContact CD2-CB 4.37Å; F265-L267 HydrophobicContact CE2-CB 4.47Å; L267-D271 HydrophobicContact CD1-CB 3.91Å; L267-I272 HydrophobicContact CD1-CG1 3.94Å; L267-I272 HydrophobicContact CD2-CD1 3.88Å; L267-I272 HydrophobicContact CD2-CG1 4.01Å; L267-I272 HydrophobicContact CG-CD1 4Å; L267-I272 HydrophobicContact CG-CG1 3.86Å; L267-L326 HydrophobicContact CD2-CD2 4.1Å; L267-I330 HydrophobicContact CD2-CD1 4.02Å; L267-M395 HydrophobicContact CD2-SD 4.46Å; L267-L454 HydrophobicContact CB-CB 4.38Å; L267-L454 HydrophobicContact CD2-CD2 4.41Å; L267-L454 PolarHBondContact N-O 2.7Å; L267-L454 PolarHBondContact O-N 2.72Å
268T91.3Very high89.9Confident34 Ų3431 Ų3121%0.20917%0.169CC..  trans-94.5158.6-178.6690000111.5Y270 D271 I272 V453T268-Y270 PolarHBondContact O-N 2.78Å; T268-D271 WeakPolarHBondContact CB-OD2 3.17Å; T268-D271 PolarHBondContact N-OD2 3.43Å; T268-D271 WeakPolarHBondContact O-CB 3.27Å; T268-D271 PolarHBondContact O-N 3.3Å; T268-D271 PolarHBondContact OG1-N 3.47Å; T268-D271 PolarHBondContact OG1-OD2 3.2Å; T268-I272 PolarHBondContact O-N 2.85Å; T268-V453 HydrophobicContact CG2-CG1 4.28Å; T268-V453 HydrophobicContact CG2-CG2 4.37Å
269P89.4Confident89.8Confident28 Ų2830.2 Ų30.218%0.18216%0.163CC..Hα-helixtrans-54-34.8172-27.134.7000113.2D271 I272 A273 N452P269-D271 PolarHBondContact O-N 3.01Å; P269-I272 PolarHBondContact O-N 3.38Å; P269-A273 VanDerWaalsContact O-CB 3.29Å; P269-A273 WeakPolarHBondContact O-CB 3.14Å; P269-A273 PolarHBondContact O-N 2.78Å; P269-N452 WeakPolarHBondContact CD-O 3.44Å; P269-N452 WeakPolarHBondContact CG-O 3.45Å
270Y88.8Confident89.6Confident138 Ų13832.6 Ų32.654%0.54118%0.176SC..Hα-helixtrans-62.9-39.4175177.1-87.3000112.6T268 S274T268-Y270 PolarHBondContact O-N 2.78Å; Y270-S274 WeakPolarHBondContact O-CB 3.41Å; Y270-S274 PolarHBondContact O-N 3.35Å
271D89.3Confident89.2Confident12 Ų1237.5 Ų37.56%0.06419%0.194CC..Hα-helixtrans-65.2-42.8178.7-60.5-63.2000111.3L267 T268 P269 A275 G388 K391L267-D271 HydrophobicContact CD1-CB 3.91Å; T268-D271 WeakPolarHBondContact CB-OD2 3.17Å; T268-D271 PolarHBondContact N-OD2 3.43Å; T268-D271 WeakPolarHBondContact O-CB 3.27Å; T268-D271 PolarHBondContact O-N 3.3Å; T268-D271 PolarHBondContact OG1-N 3.47Å; T268-D271 PolarHBondContact OG1-OD2 3.2Å; P269-D271 PolarHBondContact O-N 3.01Å; D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 2.7Å; D271-G388 WeakPolarHBondContact O-CA 3.46Å; D271-K391 HydrophobicContact CB-CD 4.14Å; D271-K391 VanDerWaalsContact CG-CD 3.5Å; D271-K391 VanDerWaalsContact OD1-CD 3.29Å; D271-K391 WeakPolarHBondContact OD1-CD 3.47Å; D271-K391 VanDerWaalsContact OD1-CE 3.31Å; D271-K391 WeakPolarHBondContact OD1-CE 3.3Å; D271-K391 IonicContact OD1-NZ 2.74Å; D271-K391 PolarHBondContact OD1-NZ 3.42Å; D271-K391 IonicContact OD2-NZ 2.84Å; D271-K391 PolarHBondContact OD2-NZ 3.07Å
272I90.1Very high89Confident6 Ų633.4 Ų33.43%0.03118%0.175CC..Hα-helixtrans-68.6-49.1179.3-55.2173.1000110L267 T268 P269 S274 A275 I276 E327 I330L267-I272 HydrophobicContact CD1-CG1 3.94Å; L267-I272 HydrophobicContact CD2-CD1 3.88Å; L267-I272 HydrophobicContact CD2-CG1 4.01Å; L267-I272 HydrophobicContact CG-CD1 4Å; L267-I272 HydrophobicContact CG-CG1 3.86Å; T268-I272 PolarHBondContact O-N 2.85Å; P269-I272 PolarHBondContact O-N 3.38Å; I272-S274 VanDerWaalsContact C-N 3.29Å; I272-S274 PolarHBondContact O-N 3.25Å; I272-A275 WeakPolarHBondContact O-CA 3.2Å; I272-A275 WeakPolarHBondContact O-CB 3.25Å; I272-A275 PolarHBondContact O-N 3.23Å; I272-I276 HydrophobicContact CG2-CD1 3.89Å; I272-I276 HydrophobicContact CG2-CG1 4.44Å; I272-I276 WeakPolarHBondContact O-CG1 3.29Å; I272-I276 PolarHBondContact O-N 2.7Å; I272-E327 HydrophobicContact CG2-CB 4.01Å; I272-E327 HydrophobicContact CG2-CG 4.42Å; I272-I330 HydrophobicContact CD1-CD1 3.81Å
273A89.3Confident88.9Confident40 Ų4033.3 Ų33.333%0.33117%0.172SC..Hα-helixtrans-60.7-36.5176.600000112.8P269 T277P269-A273 VanDerWaalsContact O-CB 3.29Å; P269-A273 WeakPolarHBondContact O-CB 3.14Å; P269-A273 PolarHBondContact O-N 2.78Å; A273-T277 VanDerWaalsContact O-CB 3.29Å; A273-T277 WeakPolarHBondContact O-CB 3.42Å; A273-T277 PolarHBondContact O-N 2.77Å; A273-T277 PolarHBondContact O-OG1 2.84Å
274S88.2Confident88.7Confident18 Ų1836.7 Ų36.713%0.12619%0.192CC..Hα-helixtrans-67-37.5172.8-172.10000111.9Y270 I272 A278 S385Y270-S274 WeakPolarHBondContact O-CB 3.41Å; Y270-S274 PolarHBondContact O-N 3.35Å; I272-S274 VanDerWaalsContact C-N 3.29Å; I272-S274 PolarHBondContact O-N 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.34Å; S274-A278 PolarHBondContact O-N 3.26Å; S274-A278 VanDerWaalsContact O-N 3.09Å; S274-S385 WeakPolarHBondContact OG-CB 3.24Å; S274-S385 PolarHBondContact OG-O 3.07Å; S274-S385 VanDerWaalsContact OG-O 3.07Å
275A89.6Confident88.1Confident1 Ų139.5 Ų39.51%0.00820%0.203CC..Hα-helixtrans-66.8-47.7175.300000111.8D271 I272 T277 A278 V279 L323 L389D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 2.7Å; I272-A275 WeakPolarHBondContact O-CA 3.2Å; I272-A275 WeakPolarHBondContact O-CB 3.25Å; I272-A275 PolarHBondContact O-N 3.23Å; A275-T277 PolarHBondContact O-N 3.25Å; A275-A278 WeakPolarHBondContact O-CB 3.24Å; A275-A278 PolarHBondContact O-N 3.17Å; A275-V279 WeakPolarHBondContact O-CG2 3.44Å; A275-V279 PolarHBondContact O-N 2.81Å; A275-L323 HydrophobicContact CB-CD1 4.08Å; A275-L323 HydrophobicContact CB-CD2 3.81Å; A275-L389 HydrophobicContact CB-CD2 3.75Å; A275-L389 HydrophobicContact CB-CG 3.97Å
276I90Very high87.5Confident18 Ų1838.8 Ų38.89%0.09220%0.2CC..Hα-helixtrans-58-49.2175.6-64.8163.2000110I272 A278 V279 D280 L323 L324I272-I276 HydrophobicContact CG2-CD1 3.89Å; I272-I276 HydrophobicContact CG2-CG1 4.44Å; I272-I276 WeakPolarHBondContact O-CG1 3.29Å; I272-I276 PolarHBondContact O-N 2.7Å; I276-A278 PolarHBondContact O-N 3.05Å; I276-V279 PolarHBondContact O-N 3.4Å; I276-D280 WeakPolarHBondContact O-CB 3.2Å; I276-D280 PolarHBondContact O-N 3.23Å; I276-L323 HydrophobicContact CD1-CB 4.31Å; I276-L323 HydrophobicContact CG1-CB 3.61Å; I276-L323 HydrophobicContact CG1-CD1 4.18Å; I276-L323 HydrophobicContact CG1-CG 4.43Å; I276-L324 HydrophobicContact CD1-CD2 3.85Å; I276-L324 HydrophobicContact CD1-CG 4.39Å
277T88.2Confident86.9Confident66 Ų6637.8 Ų37.841%0.40520%0.202SC..Hα-helixtrans-59.5-33.2178.9-58.30000112.8A273 A275 R281A273-T277 VanDerWaalsContact O-CB 3.29Å; A273-T277 WeakPolarHBondContact O-CB 3.42Å; A273-T277 PolarHBondContact O-N 2.77Å; A273-T277 PolarHBondContact O-OG1 2.84Å; A275-T277 PolarHBondContact O-N 3.25Å; T277-R281 WeakPolarHBondContact O-CG 3.41Å; T277-R281 PolarHBondContact O-N 2.82Å
278A85.8Confident86.2Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-73.1-44177.700000112.1S274 A275 I276 L282 L376 L389S274-A278 WeakPolarHBondContact O-CB 3.34Å; S274-A278 PolarHBondContact O-N 3.26Å; S274-A278 VanDerWaalsContact O-N 3.09Å; A275-A278 WeakPolarHBondContact O-CB 3.24Å; A275-A278 PolarHBondContact O-N 3.17Å; I276-A278 PolarHBondContact O-N 3.05Å; A278-L282 PolarHBondContact O-N 3.02Å; A278-L376 HydrophobicContact CB-CD1 3.87Å; A278-L389 HydrophobicContact CB-CD1 3.87Å
279V88.3Confident85.3Confident0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-66.6-41.2176.21790000111.2A275 I276 R281 L282 L283 I316 I319 K320 L323 I372 L389A275-V279 WeakPolarHBondContact O-CG2 3.44Å; A275-V279 PolarHBondContact O-N 2.81Å; I276-V279 PolarHBondContact O-N 3.4Å; V279-R281 VanDerWaalsContact C-N 3.31Å; V279-R281 PolarHBondContact O-N 3.41Å; V279-L282 PolarHBondContact O-N 3Å; V279-L282 VanDerWaalsContact O-N 3.12Å; V279-L283 HydrophobicContact CG1-CD1 4.18Å; V279-L283 HydrophobicContact CG1-CG 4.47Å; V279-L283 PolarHBondContact O-N 3.3Å; V279-I316 HydrophobicContact CG1-CG2 3.72Å; V279-I319 HydrophobicContact CG2-CG2 4.15Å; V279-K320 HydrophobicContact CG1-CB 3.99Å; V279-L323 HydrophobicContact CG2-CD1 3.89Å; V279-I372 HydrophobicContact CG2-CG2 4.35Å; V279-L389 HydrophobicContact CG2-CD1 4.44Å; V279-L389 HydrophobicContact CG2-CD2 3.83Å
280D88.5Confident84.4Confident50 Ų5047.4 Ų47.427%0.26724%0.24SC..Hα-helixtrans-59.4-38.6179-88.122.6000113.1I276 L283 V284 K320I276-D280 WeakPolarHBondContact O-CB 3.2Å; I276-D280 PolarHBondContact O-N 3.23Å; D280-L283 PolarHBondContact O-N 3.45Å; D280-V284 WeakPolarHBondContact O-CG2 3.39Å; D280-V284 PolarHBondContact O-N 3.49Å; D280-K320 WeakPolarHBondContact OD1-CD 3.34Å; D280-K320 WeakPolarHBondContact OD1-CE 3.48Å; D280-K320 IonicContact OD1-NZ 3.16Å; D280-K320 PolarHBondContact OD1-NZ 2.94Å; D280-K320 IonicContact OD2-NZ 2.72Å; D280-K320 PolarHBondContact OD2-NZ 3.29Å
281R82.9Confident83.3Confident121 Ų12145 Ų4546%0.45724%0.243SC..Hα-helixtrans-70.8-36.8175.7-71.6-175.9-172.1-171.73.9112.5T277 V279 L283 V284 E285T277-R281 WeakPolarHBondContact O-CG 3.41Å; T277-R281 PolarHBondContact O-N 2.82Å; V279-R281 VanDerWaalsContact C-N 3.31Å; V279-R281 PolarHBondContact O-N 3.41Å; R281-L283 VanDerWaalsContact C-N 3.33Å; R281-V284 PolarHBondContact O-N 2.91Å; R281-E285 PolarHBondContact O-N 3.19Å
282L84.4Confident81.9Confident5 Ų550.9 Ų50.93%0.02627%0.27CS..Hα-helixtrans-64.9-39.5174.6-172.465.2000111.2A278 V279 E285 Q286 I316 I372 L376A278-L282 PolarHBondContact O-N 3.02Å; V279-L282 PolarHBondContact O-N 3Å; V279-L282 VanDerWaalsContact O-N 3.12Å; L282-E285 PolarHBondContact O-N 3.18Å; L282-Q286 HydrophobicContact CD1-CG 4.4Å; L282-Q286 WeakPolarHBondContact O-CB 3.39Å; L282-Q286 WeakPolarHBondContact O-CG 3.41Å; L282-Q286 PolarHBondContact O-N 3.12Å; L282-I316 HydrophobicContact CD2-CD1 4.03Å; L282-I316 HydrophobicContact CD2-CG2 4.3Å; L282-I316 HydrophobicContact CG-CD1 4.23Å; L282-I372 HydrophobicContact CD2-CB 4.24Å; L282-I372 HydrophobicContact CD2-CG1 3.91Å; L282-I372 HydrophobicContact CD2-CG2 3.92Å; L282-L376 HydrophobicContact CB-CD2 4.17Å
283L85.1Confident80.3Confident30 Ų3058.6 Ų58.616%0.15730%0.299CS..Hα-helixtrans-61-47.2173-75.3169.6000112.3V279 D280 R281 E285 A287 I313 I316 A317 K320V279-L283 HydrophobicContact CG1-CD1 4.18Å; V279-L283 HydrophobicContact CG1-CG 4.47Å; V279-L283 PolarHBondContact O-N 3.3Å; D280-L283 PolarHBondContact O-N 3.45Å; R281-L283 VanDerWaalsContact C-N 3.33Å; L283-E285 PolarHBondContact O-N 3.03Å; L283-A287 VanDerWaalsContact O-CB 3.31Å; L283-A287 WeakPolarHBondContact O-CB 3.18Å; L283-A287 PolarHBondContact O-N 3.25Å; L283-I313 HydrophobicContact CD2-CG2 4.19Å; L283-I316 HydrophobicContact CD1-CG2 4.44Å; L283-I316 HydrophobicContact CD2-CB 3.7Å; L283-I316 HydrophobicContact CD2-CG2 3.57Å; L283-I316 HydrophobicContact CG-CB 4.35Å; L283-I316 HydrophobicContact CG-CG2 3.65Å; L283-A317 HydrophobicContact CD2-CB 4.41Å; L283-K320 HydrophobicContact CD1-CB 4.18Å; L283-K320 HydrophobicContact CD1-CD 3.96Å
284V84.4Confident78.4Confident74 Ų7463.5 Ų63.545%0.44832%0.32SS..Hα-helixtrans-63.2-40.4178.7168.20000111.9D280 R281 R288D280-V284 WeakPolarHBondContact O-CG2 3.39Å; D280-V284 PolarHBondContact O-N 3.49Å; R281-V284 PolarHBondContact O-N 2.91Å; V284-R288 WeakPolarHBondContact O-CD 3.27Å; V284-R288 VanDerWaalsContact O-CG 3.31Å; V284-R288 WeakPolarHBondContact O-CG 3.4Å; V284-R288 PolarHBondContact O-N 2.89Å; V284-R288 VanDerWaalsContact O-N 3.14Å
285E80.6Confident76.6Confident79 Ų7966.9 Ų66.937%0.36934%0.343SS..Hα-helixtrans-74-40.5-179-151.571.2165.100112.2R281 L282 L283 A287 R288 E289R281-E285 PolarHBondContact O-N 3.19Å; L282-E285 PolarHBondContact O-N 3.18Å; L283-E285 PolarHBondContact O-N 3.03Å; E285-A287 VanDerWaalsContact C-N 3.33Å; E285-A287 PolarHBondContact O-N 2.85Å; E285-R288 WeakPolarHBondContact O-CB 3.16Å; E285-R288 PolarHBondContact O-N 2.93Å; E285-R288 VanDerWaalsContact OE2-CD 3.24Å; E285-R288 WeakPolarHBondContact OE2-CD 3.48Å; E285-R288 IonicContact OE2-CZ 3.71Å; E285-R288 IonicContact OE2-NE 2.72Å; E285-R288 IonicContact OE2-NH1 2.68Å; E285-R288 PolarHBondContact OE2-NH1 3.04Å; E285-E289 PolarHBondContact O-N 3.11Å
286Q78.9Confident74.4Confident19 Ų1972 Ų729%0.08938%0.375CS..Hα-helixtrans-65.6-34.8173.6-72-67.9-80.200112.7L282 R288 E289 V290 L309 I313 I316L282-Q286 HydrophobicContact CD1-CG 4.4Å; L282-Q286 WeakPolarHBondContact O-CB 3.39Å; L282-Q286 WeakPolarHBondContact O-CG 3.41Å; L282-Q286 PolarHBondContact O-N 3.12Å; Q286-R288 VanDerWaalsContact C-N 3.34Å; Q286-E289 PolarHBondContact NE2-OE1 3.28Å; Q286-E289 PolarHBondContact NE2-OE2 3.16Å; Q286-E289 PolarHBondContact O-N 3.17Å; Q286-V290 WeakPolarHBondContact O-CG2 3.45Å; Q286-V290 PolarHBondContact O-N 3.38Å; Q286-V290 VanDerWaalsContact O-N 3.13Å; Q286-L309 HydrophobicContact CG-CD1 4.27Å; Q286-I313 HydrophobicContact CB-CD1 4.34Å; Q286-I313 HydrophobicContact CB-CG1 4.22Å; Q286-I316 HydrophobicContact CG-CD1 4.45Å
287A79.9Confident72.2Confident48 Ų4877.3 Ų77.340%0.39741%0.408SS..Hα-helixtrans-62.9-39.9171.800000112.2L283 E285 V290 S291L283-A287 VanDerWaalsContact O-CB 3.31Å; L283-A287 WeakPolarHBondContact O-CB 3.18Å; L283-A287 PolarHBondContact O-N 3.25Å; E285-A287 VanDerWaalsContact C-N 3.33Å; E285-A287 PolarHBondContact O-N 2.85Å; A287-V290 PolarHBondContact O-N 3.48Å; A287-S291 PolarHBondContact O-N 3.38Å; A287-S291 VanDerWaalsContact O-N 3.09Å; A287-S291 PolarHBondContact O-OG 2.99Å
288R78.1Confident70.1Confident138 Ų13883.1 Ų83.152%0.52143%0.43SS..Hα-helixtrans-65.2-43.5174.9-71.8160.8169.5-177.4-5.7112.5V284 E285 Q286 V290 S291 Q292V284-R288 WeakPolarHBondContact O-CD 3.27Å; V284-R288 VanDerWaalsContact O-CG 3.31Å; V284-R288 WeakPolarHBondContact O-CG 3.4Å; V284-R288 PolarHBondContact O-N 2.89Å; V284-R288 VanDerWaalsContact O-N 3.14Å; E285-R288 WeakPolarHBondContact O-CB 3.16Å; E285-R288 PolarHBondContact O-N 2.93Å; E285-R288 VanDerWaalsContact OE2-CD 3.24Å; E285-R288 WeakPolarHBondContact OE2-CD 3.48Å; E285-R288 IonicContact OE2-CZ 3.71Å; E285-R288 IonicContact OE2-NE 2.72Å; E285-R288 IonicContact OE2-NH1 2.68Å; E285-R288 PolarHBondContact OE2-NH1 3.04Å; Q286-R288 VanDerWaalsContact C-N 3.34Å; R288-V290 VanDerWaalsContact C-N 3.31Å; R288-V290 PolarHBondContact O-N 2.89Å; R288-S291 PolarHBondContact O-N 2.63Å; R288-Q292 WeakPolarHBondContact O-CG 3.47Å; R288-Q292 PolarHBondContact O-N 3.15Å
289E72.4Confident67.7Low68 Ų6889.6 Ų89.632%0.31847%0.465SS..Hα-helixtrans-59.8-40.6176.8-77.7-177.8-147.500112.1E285 Q286 Q292 R293E285-E289 PolarHBondContact O-N 3.11Å; Q286-E289 PolarHBondContact NE2-OE1 3.28Å; Q286-E289 PolarHBondContact NE2-OE2 3.16Å; Q286-E289 PolarHBondContact O-N 3.17Å; E289-Q292 PolarHBondContact O-N 2.9Å; E289-R293 WeakPolarHBondContact O-CG 3.48Å; E289-R293 PolarHBondContact O-N 2.95Å; E289-R293 IonicContact OE2-NH2 2.99Å; E289-R293 PolarHBondContact OE2-NH2 3.13Å
290V69.9Low65Low64 Ų6497.2 Ų97.239%0.38850%0.5SS..Hα-helixtrans-64.2-50.6174.7172.60000110.7Q286 A287 R288 Q292 R293 D294 I313Q286-V290 WeakPolarHBondContact O-CG2 3.45Å; Q286-V290 PolarHBondContact O-N 3.38Å; Q286-V290 VanDerWaalsContact O-N 3.13Å; A287-V290 PolarHBondContact O-N 3.48Å; R288-V290 VanDerWaalsContact C-N 3.31Å; R288-V290 PolarHBondContact O-N 2.89Å; V290-Q292 PolarHBondContact O-N 3.42Å; V290-R293 PolarHBondContact O-N 3.23Å; V290-D294 PolarHBondContact O-N 3.39Å; V290-I313 HydrophobicContact CG2-CD1 3.81Å
291S65.1Low62.9Low87 Ų87102.2 Ų102.261%0.60853%0.527SS*.Hα-helixtrans-62.2-15.3178.6-58.90000115A287 R288A287-S291 PolarHBondContact O-N 3.38Å; A287-S291 VanDerWaalsContact O-N 3.09Å; A287-S291 PolarHBondContact O-OG 2.99Å; R288-S291 PolarHBondContact O-N 2.63Å
292Q60.6Low60.8Low137 Ų137102.2 Ų102.264%0.6454%0.54SS*.Hα-helixtrans-92.9-19.8174-73.3178.3-0.600113.7R288 E289 V290 S295R288-Q292 WeakPolarHBondContact O-CG 3.47Å; R288-Q292 PolarHBondContact O-N 3.15Å; E289-Q292 PolarHBondContact O-N 2.9Å; V290-Q292 PolarHBondContact O-N 3.42Å; Q292-S295 PolarHBondContact O-OG 3.49Å
293R55.3Low58.5Low168 Ų168110.6 Ų110.663%0.63458%0.579SS**Hα-helixtrans-77.9-33.3174.9-70.2176.5-159.8175.810.5111.9E289 V290 S295E289-R293 WeakPolarHBondContact O-CG 3.48Å; E289-R293 PolarHBondContact O-N 2.95Å; E289-R293 IonicContact OE2-NH2 2.99Å; E289-R293 PolarHBondContact OE2-NH2 3.13Å; V290-R293 PolarHBondContact O-N 3.23Å; R293-S295 PolarHBondContact O-N 3.43Å; R293-S295 VanDerWaalsContact O-N 3.17Å
294D51Low56.1Low142 Ų142113.9 Ų113.976%0.75961%0.605SS**THydrogen-bonded Turntrans-71-4.1179.4-65.1-24.3000114.1V290V290-D294 PolarHBondContact O-N 3.39Å
295S48.5Very low54Low89 Ų89118.6 Ų118.662%0.62263%0.627SS**THydrogen-bonded Turntrans-113.31.1-175.963.20000115.9Q292 R293Q292-S295 PolarHBondContact O-OG 3.49Å; R293-S295 PolarHBondContact O-N 3.43Å; R293-S295 VanDerWaalsContact O-N 3.17Å
296V45.2Very low52Low110 Ų110119.7 Ų119.767%0.66764%0.643SS**  trans-137.997.9179.7-171.70000111.5
297T42.3Very low50.3Low128 Ų128123.8 Ų123.879%0.78567%0.674SS**  trans-98.4131.816549.50000110.3
298E44.2Very low48.5Very low189 Ų189125.2 Ų125.288%0.88369%0.693SS**  trans61.1106.9172.7-55.3-178.7-177.800113.1
299D35.5Very low47.2Very low136 Ų136121.4 Ų121.473%0.72768%0.683SS**  -165.417561.2-150.9-25.4000113.1
300H33.1Very low46.5Very low159 Ų159127.7 Ų127.774%0.73671%0.709SS**  trans76.5112.8160.6-66.16000119.6V302H300-V302 PolarHBondContact O-N 3.11Å
301N43.8Very low46.3Very low155 Ų155125.5 Ų125.583%0.82970%0.695SS**  trans-63.5101.4175.3178.621.5000113.8
302V37.5Very low46.8Very low122 Ų122126.7 Ų126.774%0.73969%0.694SS**  trans-137.4120.1159.2-178.70000108.9H300 S304H300-V302 PolarHBondContact O-N 3.11Å; V302-S304 PolarHBondContact O-N 3.1Å
303E37.5Very low47.9Very low180 Ų180123.3 Ų123.384%0.84168%0.68SS**  trans-70.179.2172.4-69.5-173.7115.800110.9L305E303-L305 PolarHBondContact O-N 3.47Å
304S34.6Very low49.2Very low100 Ų100118.4 Ų118.470%0.69967%0.671SS**  trans-68.9126.2175.7-165.30000110.3V302 S306V302-S304 PolarHBondContact O-N 3.1Å; S304-S306 PolarHBondContact O-N 2.77Å
305L40.2Very low50.8Low173 Ų173113.5 Ų113.591%0.90665%0.647SS**  trans-78.550.5-164.1-68.9162.9000114.4E303 S307E303-L305 PolarHBondContact O-N 3.47Å; L305-S307 PolarHBondContact O-N 3.05Å
306S38.8Very low52.6Low102 Ų102109.3 Ų109.371%0.71362%0.617SS**  trans-72.8117.4166.651.20000110S304 G308S304-S306 PolarHBondContact O-N 2.77Å; S306-G308 PolarHBondContact O-N 3.48Å
307S42.3Very low54.6Low105 Ų105106.2 Ų106.273%0.73460%0.603SS**  trans-64.1116.9-173.854.20000111.8L305 L309L305-S307 PolarHBondContact O-N 3.05Å; S307-L309 PolarHBondContact O-N 3.49Å; S307-L309 VanDerWaalsContact O-N 3.14Å
308G43.3Very low56.8Low77 Ų77106.2 Ų106.279%0.79459%0.592SS**  trans-60.2111-169.400000115.3S306S306-G308 PolarHBondContact O-N 3.48Å
309L50.5Low59Low59 Ų5997.4 Ų97.431%0.30955%0.551SS.*  trans-76123.5162.5-85.4165.1000110Q286 S307 I311Q286-L309 HydrophobicContact CG-CD1 4.27Å; S307-L309 PolarHBondContact O-N 3.49Å; S307-L309 VanDerWaalsContact O-N 3.14Å; L309-I311 HydrophobicContact CD2-CD1 3.6Å; L309-I311 HydrophobicContact CD2-CG1 3.86Å
310K56.6Low61.6Low199 Ų19993.9 Ų93.987%0.86553%0.529SS*.  trans-104.537.4168-69.2-168.9175.2-173.20111.7
311I67Low64.4Low18 Ų1890.9 Ų90.99%0.09252%0.516CS..  trans-116120.9-178.9-39.4176.1000109L309 T315 I316 Q371 I372L309-I311 HydrophobicContact CD2-CD1 3.6Å; L309-I311 HydrophobicContact CD2-CG1 3.86Å; I311-T315 HydrophobicContact CG2-CG2 4.01Å; I311-I316 HydrophobicContact CB-CD1 4.45Å; I311-I316 HydrophobicContact CB-CG1 4.37Å; I311-I316 HydrophobicContact CG2-CD1 4.3Å; I311-I316 HydrophobicContact CG2-CG1 3.69Å; I311-Q371 HydrophobicContact CD1-CB 3.61Å; I311-Q371 HydrophobicContact CG1-CB 4.23Å; I311-I372 HydrophobicContact CD1-CG1 4.15Å
312D76Confident66.7Low112 Ų11284.2 Ų84.260%0.59948%0.48SS*.  trans-64.3140.8170.9-60.6-35.3000110.8S314 T315 I316D312-S314 WeakPolarHBondContact CB-OG 3.33Å; D312-S314 PolarHBondContact O-N 3.21Å; D312-S314 VanDerWaalsContact O-N 3.12Å; D312-T315 WeakPolarHBondContact O-CA 3.41Å; D312-T315 WeakPolarHBondContact O-CB 3.38Å; D312-T315 PolarHBondContact O-N 3.02Å; D312-I316 PolarHBondContact O-N 3.24Å
313I82.3Confident69.3Low67 Ų6778.5 Ų78.534%0.34445%0.445SS..Hα-helixtrans-55-32.6173.6-65.2171.9000111L283 Q286 V290 T315 I316 A317L283-I313 HydrophobicContact CD2-CG2 4.19Å; Q286-I313 HydrophobicContact CB-CD1 4.34Å; Q286-I313 HydrophobicContact CB-CG1 4.22Å; V290-I313 HydrophobicContact CG2-CD1 3.81Å; I313-T315 VanDerWaalsContact C-N 3.3Å; I313-T315 PolarHBondContact O-N 3.31Å; I313-I316 PolarHBondContact O-N 2.87Å; I313-A317 WeakPolarHBondContact O-CB 3.47Å; I313-A317 PolarHBondContact O-N 3.01Å
314S83.3Confident72Confident64 Ų6472.5 Ų72.545%0.44842%0.419SS..Hα-helixtrans-61.2-34.6174.1680000113.2D312 K318D312-S314 WeakPolarHBondContact CB-OG 3.33Å; D312-S314 PolarHBondContact O-N 3.21Å; D312-S314 VanDerWaalsContact O-N 3.12Å; S314-K318 VanDerWaalsContact O-CG 3.31Å; S314-K318 WeakPolarHBondContact O-CG 3.37Å; S314-K318 PolarHBondContact O-N 3.03Å
315T85Confident74.7Confident40 Ų4069.6 Ų69.625%0.24540%0.395CS..Hα-helixtrans-75.2-40.5177.3-65.50000111.1I311 D312 I313 A317 K318 I319 A368I311-T315 HydrophobicContact CG2-CG2 4.01Å; D312-T315 WeakPolarHBondContact O-CA 3.41Å; D312-T315 WeakPolarHBondContact O-CB 3.38Å; D312-T315 PolarHBondContact O-N 3.02Å; I313-T315 VanDerWaalsContact C-N 3.3Å; I313-T315 PolarHBondContact O-N 3.31Å; T315-A317 VanDerWaalsContact C-N 3.29Å; T315-A317 PolarHBondContact O-N 3.2Å; T315-K318 PolarHBondContact O-N 3.31Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 3.26Å; T315-A368 HydrophobicContact CG2-CB 4Å
316I85.3Confident77.2Confident0 Ų061.4 Ų61.40%035%0.352CS..Hα-helixtrans-62.9-39.1174.1-50.3175.8000110.2V279 L282 L283 Q286 I311 D312 I313 I319 K320 I372V279-I316 HydrophobicContact CG1-CG2 3.72Å; L282-I316 HydrophobicContact CD2-CD1 4.03Å; L282-I316 HydrophobicContact CD2-CG2 4.3Å; L282-I316 HydrophobicContact CG-CD1 4.23Å; L283-I316 HydrophobicContact CD1-CG2 4.44Å; L283-I316 HydrophobicContact CD2-CB 3.7Å; L283-I316 HydrophobicContact CD2-CG2 3.57Å; L283-I316 HydrophobicContact CG-CB 4.35Å; L283-I316 HydrophobicContact CG-CG2 3.65Å; Q286-I316 HydrophobicContact CG-CD1 4.45Å; I311-I316 HydrophobicContact CB-CD1 4.45Å; I311-I316 HydrophobicContact CB-CG1 4.37Å; I311-I316 HydrophobicContact CG2-CD1 4.3Å; I311-I316 HydrophobicContact CG2-CG1 3.69Å; D312-I316 PolarHBondContact O-N 3.24Å; I313-I316 PolarHBondContact O-N 2.87Å; I316-I319 PolarHBondContact O-N 3.01Å; I316-K320 PolarHBondContact O-N 2.87Å; I316-K320 VanDerWaalsContact O-N 3.08Å; I316-I372 HydrophobicContact CG2-CD1 4.31Å
317A87.1Confident79.7Confident45 Ų4559.4 Ų59.437%0.37233%0.332SS..Hα-helixtrans-65.6-39.717500000113L283 I313 T315 I319 K320 Q321L283-A317 HydrophobicContact CD2-CB 4.41Å; I313-A317 WeakPolarHBondContact O-CB 3.47Å; I313-A317 PolarHBondContact O-N 3.01Å; T315-A317 VanDerWaalsContact C-N 3.29Å; T315-A317 PolarHBondContact O-N 3.2Å; A317-I319 VanDerWaalsContact C-N 3.34Å; A317-I319 PolarHBondContact O-N 3.42Å; A317-K320 WeakPolarHBondContact O-CB 3.43Å; A317-K320 PolarHBondContact O-N 3.2Å; A317-Q321 PolarHBondContact O-N 3.13Å
318K89.6Confident82Confident128 Ų12858.9 Ų58.956%0.55732%0.324SS*.Hα-helixtrans-59-42.7171.6-72.4166.9-171.1170.50111.9S314 T315 K320 Q321 I322S314-K318 VanDerWaalsContact O-CG 3.31Å; S314-K318 WeakPolarHBondContact O-CG 3.37Å; S314-K318 PolarHBondContact O-N 3.03Å; T315-K318 PolarHBondContact O-N 3.31Å; K318-K320 PolarHBondContact O-N 3.36Å; K318-Q321 WeakPolarHBondContact O-CB 3.18Å; K318-Q321 PolarHBondContact O-N 3.2Å; K318-I322 WeakPolarHBondContact O-CD1 3.35Å; K318-I322 WeakPolarHBondContact O-CG1 3.29Å; K318-I322 PolarHBondContact O-N 3.32Å
319I90.4Very high84.3Confident5 Ų555.7 Ų55.73%0.02629%0.29CS..Hα-helixtrans-63.9-39.1177.2-64.8-63.9000111.5V279 T315 I316 A317 I322 L323 I365 A368 L369 I372V279-I319 HydrophobicContact CG2-CG2 4.15Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 3.26Å; I316-I319 PolarHBondContact O-N 3.01Å; A317-I319 VanDerWaalsContact C-N 3.34Å; A317-I319 PolarHBondContact O-N 3.42Å; I319-I322 HydrophobicContact CD1-CD1 4.37Å; I319-L323 HydrophobicContact CG2-CD1 4.35Å; I319-L323 WeakPolarHBondContact O-CG 3.45Å; I319-L323 PolarHBondContact O-N 3.49Å; I319-L323 VanDerWaalsContact O-N 3.15Å; I319-I365 HydrophobicContact CD1-CB 4.27Å; I319-I365 HydrophobicContact CD1-CG1 4.38Å; I319-I365 HydrophobicContact CD1-CG2 3.71Å; I319-A368 HydrophobicContact CD1-CB 4.1Å; I319-A368 HydrophobicContact CG1-CB 4.13Å; I319-L369 HydrophobicContact CD1-CG 4.35Å; I319-L369 HydrophobicContact CG2-CD2 3.78Å; I319-I372 HydrophobicContact CB-CD1 4.19Å; I319-I372 HydrophobicContact CG1-CD1 4.09Å; I319-I372 HydrophobicContact CG2-CD1 4.07Å
320K90.6Very high86.2Confident61 Ų6153 Ų5327%0.26528%0.276SS..Hα-helixtrans-58.8-47.2170.9-179.1-172.5176.7141.20111.6V279 D280 L283 I316 A317 K318 L323 L324V279-K320 HydrophobicContact CG1-CB 3.99Å; D280-K320 WeakPolarHBondContact OD1-CD 3.34Å; D280-K320 WeakPolarHBondContact OD1-CE 3.48Å; D280-K320 IonicContact OD1-NZ 3.16Å; D280-K320 PolarHBondContact OD1-NZ 2.94Å; D280-K320 IonicContact OD2-NZ 2.72Å; D280-K320 PolarHBondContact OD2-NZ 3.29Å; L283-K320 HydrophobicContact CD1-CB 4.18Å; L283-K320 HydrophobicContact CD1-CD 3.96Å; I316-K320 PolarHBondContact O-N 2.87Å; I316-K320 VanDerWaalsContact O-N 3.08Å; A317-K320 WeakPolarHBondContact O-CB 3.43Å; A317-K320 PolarHBondContact O-N 3.2Å; K318-K320 PolarHBondContact O-N 3.36Å; K320-L323 WeakPolarHBondContact O-CB 3.28Å; K320-L323 PolarHBondContact O-N 3.41Å; K320-L324 HydrophobicContact CD-CD1 4.49Å; K320-L324 HydrophobicContact CG-CD1 4.07Å; K320-L324 PolarHBondContact O-N 2.98Å; K320-L324 VanDerWaalsContact O-N 3.15Å
321Q91.7Very high87.7Confident96 Ų9646.4 Ų46.445%0.44925%0.25SS..Hα-helixtrans-60.4-49.3-178.9-173.554.947.800111.1A317 K318 L323 L324 D325A317-Q321 PolarHBondContact O-N 3.13Å; K318-Q321 WeakPolarHBondContact O-CB 3.18Å; K318-Q321 PolarHBondContact O-N 3.2Å; Q321-L323 VanDerWaalsContact C-N 3.25Å; Q321-L323 PolarHBondContact O-N 2.75Å; Q321-L324 PolarHBondContact O-N 3.01Å; Q321-D325 WeakPolarHBondContact CG-OD2 3.26Å; Q321-D325 PolarHBondContact NE2-OD1 2.75Å; Q321-D325 PolarHBondContact NE2-OD2 3.44Å; Q321-D325 PolarHBondContact O-N 2.67Å; Q321-D325 VanDerWaalsContact O-OD2 3.11Å
322I92.2Very high88.7Confident15 Ų1548.6 Ų48.68%0.07727%0.267CS..Hα-helixtrans-53.7-39.1175-71.9158.2000112.5K318 I319 L326 L357 I365K318-I322 WeakPolarHBondContact O-CD1 3.35Å; K318-I322 WeakPolarHBondContact O-CG1 3.29Å; K318-I322 PolarHBondContact O-N 3.32Å; I319-I322 HydrophobicContact CD1-CD1 4.37Å; I322-L326 VanDerWaalsContact O-CB 3.25Å; I322-L326 WeakPolarHBondContact O-CB 3.48Å; I322-L326 PolarHBondContact O-N 2.95Å; I322-L357 HydrophobicContact CG2-CD1 4.05Å; I322-L357 HydrophobicContact CG2-CD2 4.39Å; I322-L357 HydrophobicContact CG2-CG 4.04Å; I322-I365 HydrophobicContact CD1-CD1 3.68Å; I322-I365 HydrophobicContact CD1-CG1 3.99Å
323L92.3Very high89.2Confident3 Ų345 Ų452%0.01625%0.245CC..Hα-helixtrans-67.9-40.2177.1-73.9165.3000112.8A275 I276 V279 I319 K320 Q321 L326 E327 L389 L392A275-L323 HydrophobicContact CB-CD1 4.08Å; A275-L323 HydrophobicContact CB-CD2 3.81Å; I276-L323 HydrophobicContact CD1-CB 4.31Å; I276-L323 HydrophobicContact CG1-CB 3.61Å; I276-L323 HydrophobicContact CG1-CD1 4.18Å; I276-L323 HydrophobicContact CG1-CG 4.43Å; V279-L323 HydrophobicContact CG2-CD1 3.89Å; I319-L323 HydrophobicContact CG2-CD1 4.35Å; I319-L323 WeakPolarHBondContact O-CG 3.45Å; I319-L323 PolarHBondContact O-N 3.49Å; I319-L323 VanDerWaalsContact O-N 3.15Å; K320-L323 WeakPolarHBondContact O-CB 3.28Å; K320-L323 PolarHBondContact O-N 3.41Å; Q321-L323 VanDerWaalsContact C-N 3.25Å; Q321-L323 PolarHBondContact O-N 2.75Å; L323-L326 PolarHBondContact O-N 2.84Å; L323-E327 PolarHBondContact O-N 2.82Å; L323-L389 HydrophobicContact CD1-CD2 4.32Å; L323-L392 HydrophobicContact CD2-CD2 3.77Å
324L92.2Very high88.9Confident54 Ų5450.6 Ų50.628%0.28327%0.27SS..Hα-helixtrans-71-38177.5-68.9166.3000112I276 K320 Q321 L326 E327 T328I276-L324 HydrophobicContact CD1-CD2 3.85Å; I276-L324 HydrophobicContact CD1-CG 4.39Å; K320-L324 HydrophobicContact CD-CD1 4.49Å; K320-L324 HydrophobicContact CG-CD1 4.07Å; K320-L324 PolarHBondContact O-N 2.98Å; K320-L324 VanDerWaalsContact O-N 3.15Å; Q321-L324 PolarHBondContact O-N 3.01Å; L324-L326 VanDerWaalsContact C-N 3.34Å; L324-E327 PolarHBondContact O-N 2.73Å; L324-T328 WeakPolarHBondContact O-CB 3.11Å; L324-T328 PolarHBondContact O-N 3.37Å; L324-T328 PolarHBondContact O-OG1 2.66Å
325D92.3Very high88.7Confident38 Ų3848.7 Ų48.720%0.20326%0.256CS..Hα-helixtrans-68.2-35.8175.1-63.9-37.5000111Q321 T328 A329 A355 H356Q321-D325 WeakPolarHBondContact CG-OD2 3.26Å; Q321-D325 PolarHBondContact NE2-OD1 2.75Å; Q321-D325 PolarHBondContact NE2-OD2 3.44Å; Q321-D325 PolarHBondContact O-N 2.67Å; Q321-D325 VanDerWaalsContact O-OD2 3.11Å; D325-T328 PolarHBondContact O-N 2.82Å; D325-A329 WeakPolarHBondContact O-CB 3.42Å; D325-A329 PolarHBondContact O-N 3.34Å; D325-A355 HydrophobicContact CB-CB 4.32Å; D325-H356 IonicContact OD2-CD2 3.64Å
326L91.8Very high88Confident1 Ų150.5 Ų50.51%0.00527%0.268CS..Hα-helixtrans-66.9-44173.2-176.161000112.4L267 I322 L323 L324 A329 I330 L351 L352 A355 L392L267-L326 HydrophobicContact CD2-CD2 4.1Å; I322-L326 VanDerWaalsContact O-CB 3.25Å; I322-L326 WeakPolarHBondContact O-CB 3.48Å; I322-L326 PolarHBondContact O-N 2.95Å; L323-L326 PolarHBondContact O-N 2.84Å; L324-L326 VanDerWaalsContact C-N 3.34Å; L326-A329 PolarHBondContact O-N 2.98Å; L326-I330 HydrophobicContact CD1-CD1 3.91Å; L326-I330 HydrophobicContact CD1-CG1 4.4Å; L326-I330 HydrophobicContact CG-CD1 3.95Å; L326-I330 WeakPolarHBondContact O-CB 3.42Å; L326-I330 WeakPolarHBondContact O-CD1 3.39Å; L326-I330 VanDerWaalsContact O-CG1 3.28Å; L326-I330 WeakPolarHBondContact O-CG1 3.11Å; L326-I330 PolarHBondContact O-N 2.86Å; L326-L351 HydrophobicContact CD1-CD2 4.01Å; L326-L352 HydrophobicContact CD1-CD2 3.84Å; L326-A355 HydrophobicContact CB-CB 3.79Å; L326-A355 HydrophobicContact CD1-CB 4.12Å; L326-L392 HydrophobicContact CD2-CD1 3.68Å
327E92.3Very high86.9Confident61 Ų6155.6 Ų55.629%0.28530%0.304SS..Hα-helixtrans-57.5-50.3172.9-167.8169.3-140.700110.4I272 L323 L324 A329 I330 D331I272-E327 HydrophobicContact CG2-CB 4.01Å; I272-E327 HydrophobicContact CG2-CG 4.42Å; L323-E327 PolarHBondContact O-N 2.82Å; L324-E327 PolarHBondContact O-N 2.73Å; E327-A329 PolarHBondContact O-N 3.01Å; E327-I330 PolarHBondContact O-N 2.91Å; E327-D331 PolarHBondContact O-N 2.83Å
328T91.4Very high85.7Confident94 Ų9461.1 Ų61.158%0.57733%0.327SS*.Hα-helixtrans-62.2-40.4179.1-55.70000112.3L324 D325 S332L324-T328 WeakPolarHBondContact O-CB 3.11Å; L324-T328 PolarHBondContact O-N 3.37Å; L324-T328 PolarHBondContact O-OG1 2.66Å; D325-T328 PolarHBondContact O-N 2.82Å; T328-S332 WeakPolarHBondContact O-CB 3.5Å; T328-S332 PolarHBondContact O-N 3.4Å
329A90.9Very high84.7Confident9 Ų964.8 Ų64.87%0.07434%0.338CS..Hα-helixtrans-65.3-38.3177.300000112.2D325 L326 E327 S332 Y333 R354D325-A329 WeakPolarHBondContact O-CB 3.42Å; D325-A329 PolarHBondContact O-N 3.34Å; L326-A329 PolarHBondContact O-N 2.98Å; E327-A329 PolarHBondContact O-N 3.01Å; A329-S332 PolarHBondContact O-OG 3.49Å; A329-Y333 VanDerWaalsContact O-CD2 3.29Å; A329-Y333 WeakPolarHBondContact O-CD2 3.25Å; A329-Y333 VanDerWaalsContact O-CE2 3.25Å; A329-Y333 WeakPolarHBondContact O-CE2 3.46Å; A329-R354 HydrophobicContact CB-CB 4.2Å
330I89.6Confident84.3Confident2 Ų265.5 Ų65.51%0.0135%0.346CS..Hα-helixtrans-73.1-43178.9-69.5165.7000111.4L267 I272 L326 E327 S332 L351 N452 L454L267-I330 HydrophobicContact CD2-CD1 4.02Å; I272-I330 HydrophobicContact CD1-CD1 3.81Å; L326-I330 HydrophobicContact CD1-CD1 3.91Å; L326-I330 HydrophobicContact CD1-CG1 4.4Å; L326-I330 HydrophobicContact CG-CD1 3.95Å; L326-I330 WeakPolarHBondContact O-CB 3.42Å; L326-I330 WeakPolarHBondContact O-CD1 3.39Å; L326-I330 VanDerWaalsContact O-CG1 3.28Å; L326-I330 WeakPolarHBondContact O-CG1 3.11Å; L326-I330 PolarHBondContact O-N 2.86Å; E327-I330 PolarHBondContact O-N 2.91Å; I330-S332 VanDerWaalsContact C-N 3.29Å; I330-S332 PolarHBondContact O-N 3.18Å; I330-L351 HydrophobicContact CG1-CD1 4.44Å; I330-L351 HydrophobicContact CG1-CD2 4.13Å; I330-N452 HydrophobicContact CG2-CB 3.64Å; I330-N452 PolarHBondContact O-ND2 3.32Å; I330-L454 HydrophobicContact CD1-CB 3.87Å; I330-L454 HydrophobicContact CD1-CD2 3.72Å; I330-L454 HydrophobicContact CD1-CG 4.42Å; I330-L454 HydrophobicContact CG1-CB 4.18Å; I330-L454 HydrophobicContact CG1-CD2 4.05Å; I330-L454 HydrophobicContact CG2-CB 4.32Å
331D88.5Confident84.2Confident61 Ų6164.4 Ų64.433%0.32634%0.342SS..Hα-helixtrans-77.2-9.2177.6-9317.6000113.8E327 Y333 G451 N452E327-D331 PolarHBondContact O-N 2.83Å; D331-Y333 PolarHBondContact O-N 3.12Å; D331-G451 WeakPolarHBondContact OD1-CA 3.39Å; D331-N452 PolarHBondContact OD1-N 3.05Å
332S88.8Confident84.2Confident64 Ų6462.5 Ų62.545%0.44834%0.337SS..THydrogen-bonded Turntrans-67.7-10.2173.674.70000114.6T328 A329 I330T328-S332 WeakPolarHBondContact O-CB 3.5Å; T328-S332 PolarHBondContact O-N 3.4Å; A329-S332 PolarHBondContact O-OG 3.49Å; I330-S332 VanDerWaalsContact C-N 3.29Å; I330-S332 PolarHBondContact O-N 3.18Å
333Y85.1Confident84.2Confident36 Ų3665.7 Ų65.714%0.14135%0.351CS..SBendtrans-99.9108.8-178.2-68.6-76.1000112.1A329 D331 V335 F347 L351 R354 I424 N452A329-Y333 VanDerWaalsContact O-CD2 3.29Å; A329-Y333 WeakPolarHBondContact O-CD2 3.25Å; A329-Y333 VanDerWaalsContact O-CE2 3.25Å; A329-Y333 WeakPolarHBondContact O-CE2 3.46Å; D331-Y333 PolarHBondContact O-N 3.12Å; Y333-V335 PolarHBondContact O-N 3.17Å; Y333-F347 HydrophobicContact CE1-CZ 4.14Å; Y333-F347 HydrophobicContact CE2-CZ 4.06Å; Y333-F347 AromaticContact CZ-CZ 3.62Å; Y333-F347 WeakPolarHBondContact OH-CZ 3.05Å; Y333-L351 HydrophobicContact CE2-CD1 4.22Å; Y333-R354 PolarHBondContact OH-NH1 3.46Å; Y333-R354 VanDerWaalsContact OH-NH1 3.16Å; Y333-R354 PolarHBondContact OH-NH2 2.82Å; Y333-R354 VanDerWaalsContact OH-NH2 3.1Å; Y333-I424 HydrophobicContact CD2-CD1 3.9Å; Y333-I424 HydrophobicContact CE2-CD1 4.46Å; Y333-I424 HydrophobicContact CG-CD1 4.26Å; Y333-N452 PolarHBondContact O-ND2 2.74Å
334E77.4Confident84.1Confident186 Ų18669.5 Ų69.587%0.86938%0.375SS*.  trans-66.898.8174-64.6-171161.700111.3P336E334-P336 WeakPolarHBondContact O-CD 3.24Å
335V78.2Confident83.9Confident23 Ų2367 Ų6714%0.13936%0.363CS..PPolyproline II helixtrans-74.7121.8178.3171.20000110.7Y333 I341 I424 L426 N452Y333-V335 PolarHBondContact O-N 3.17Å; V335-I341 HydrophobicContact CG2-CD1 4.09Å; V335-I341 HydrophobicContact CG2-CG1 4.42Å; V335-I424 HydrophobicContact CG2-CG2 4.13Å; V335-L426 HydrophobicContact CB-CG 4.08Å; V335-L426 HydrophobicContact CG1-CD1 4.48Å; V335-L426 HydrophobicContact CG1-CG 4.08Å; V335-N452 VanDerWaalsContact CG2-OD1 3.3Å; V335-N452 WeakPolarHBondContact CG2-OD1 3.43Å
336P71.4Confident83.8Confident78 Ų7867.6 Ų67.651%0.50637%0.366SS..PPolyproline II helixtrans-64.9139172.7-20.533.9000111.8E334 D338 R339E334-P336 WeakPolarHBondContact O-CD 3.24Å; P336-D338 PolarHBondContact O-N 3.14Å; P336-R339 CarbonylContact O-C 3.56Å; P336-R339 PolarHBondContact O-N 2.96Å; P336-R339 VanDerWaalsContact O-N 3.15Å
337S61.3Low83.8Confident108 Ų10868.2 Ų68.276%0.75537%0.369SS*.THydrogen-bonded Turntrans-49.5137.5-179.7-55.20000112.8R339S337-R339 PolarHBondContact O-N 3.27Å
338D61Low83.7Confident160 Ų16065.3 Ų65.386%0.85636%0.355SS*.THydrogen-bonded Turntrans59.6-5.5-176.3-69-7.5000117.9P336P336-D338 PolarHBondContact O-N 3.14Å
339R68.5Low83.7Confident206 Ų20661.7 Ų61.778%0.77733%0.331SS*.  trans-139.3100.4179.5-65.7-170.4-175.7178.25.3113.5P336 S337P336-R339 CarbonylContact O-C 3.56Å; P336-R339 PolarHBondContact O-N 2.96Å; P336-R339 VanDerWaalsContact O-N 3.15Å; S337-R339 PolarHBondContact O-N 3.27Å
340G82.6Confident83.6Confident19 Ų1965.6 Ų65.620%0.19635%0.348CS..  trans-53.5144.1173.500000114.2H423 I424G340-H423 PolarHBondContact O-CE1 2.56Å; G340-H423 VanDerWaalsContact O-CE1 3.32Å; G340-I424 CarbonylContact C-O 3.34Å; G340-I424 WeakPolarHBondContact CA-O 3.43Å
341I89.2Confident83.7Confident38 Ų3865.5 Ų65.520%0.19535%0.347CS..EExtended strand (participates in β ladder)trans-66137.4176.2-63.1163.7000108.6V335 K343 H423 I424V335-I341 HydrophobicContact CG2-CD1 4.09Å; V335-I341 HydrophobicContact CG2-CG1 4.42Å; I341-K343 HydrophobicContact CG2-CG 4.32Å; I341-H423 CarbonylContact O-C 3.49Å; I341-H423 WeakPolarHBondContact O-CA 3.27Å; I341-H423 PolarHBondContact O-ND1 3.39Å; I341-H423 VanDerWaalsContact O-ND1 3.14Å; I341-I424 PolarHBondContact N-O 3.28Å; I341-I424 PolarHBondContact O-N 2.95Å
342T91.2Very high83.8Confident56 Ų5662.6 Ų62.634%0.34433%0.332SS..EExtended strand (participates in β ladder)trans-123.5137.5173.7-50.40000110.4K421 V422 H423 L659T342-K421 HydrophobicContact CG2-CB 4.37Å; T342-V422 CarbonylContact C-O 3.57Å; T342-V422 WeakPolarHBondContact CA-O 3.19Å; T342-V422 WeakPolarHBondContact CG2-O 3.27Å; T342-H423 PolarHBondContact OG1-ND1 3.19Å; T342-L659 HydrophobicContact CG2-CD1 3.69Å; T342-L659 HydrophobicContact CG2-CD2 3.75Å; T342-L659 HydrophobicContact CG2-CG 4.39Å
343K91.5Very high84Confident83 Ų8365.6 Ų65.636%0.36134%0.338SS..EExtended strand (participates in β ladder)trans-130.5157.3177.5-58.6-73.6-172.3167.10110.3I341 F347 V422I341-K343 HydrophobicContact CG2-CG 4.32Å; K343-F347 HydrophobicContact CB-CB 3.71Å; K343-F347 HydrophobicContact CB-CD1 3.54Å; K343-F347 HydrophobicContact CB-CD2 4.42Å; K343-F347 HydrophobicContact CB-CE1 4.27Å; K343-F347 HydrophobicContact CB-CG 3.62Å; K343-F347 HydrophobicContact CG-CB 4.44Å; K343-F347 HydrophobicContact CG-CD1 3.62Å; K343-F347 HydrophobicContact CG-CD2 4.25Å; K343-F347 HydrophobicContact CG-CE1 3.84Å; K343-F347 HydrophobicContact CG-CE2 4.45Å; K343-F347 HydrophobicContact CG-CG 3.83Å; K343-F347 HydrophobicContact CG-CZ 4.24Å; K343-V422 HydrophobicContact CB-CB 4.34Å; K343-V422 PolarHBondContact N-O 3.47Å; K343-V422 PolarHBondContact O-N 3.45Å
344P90.8Very high84.2Confident82 Ų8269.6 Ų69.653%0.53235%0.353SS..EExtended strand (participates in β ladder)trans-59.2154.4171.5-19.932.8000111.4I346 F347P344-I346 VanDerWaalsContact C-N 3.26Å; P344-I346 HydrophobicContact CB-CG2 4.45Å; P344-I346 PolarHBondContact O-N 3.29Å; P344-I346 VanDerWaalsContact O-N 3.14Å; P344-F347 VanDerWaalsContact O-CB 3.3Å; P344-F347 WeakPolarHBondContact O-CB 3.43Å; P344-F347 PolarHBondContact O-N 3.18Å; P344-F347 VanDerWaalsContact O-N 3.1Å
345G88.3Confident84.8Confident3 Ų360.7 Ų60.73%0.03131%0.312CS..THydrogen-bonded Turntrans-50-42.3-176.700000114.4F347 I348 F420G345-F347 PolarHBondContact O-N 3.29Å; G345-I348 VanDerWaalsContact O-CG2 3.25Å; G345-I348 WeakPolarHBondContact O-CG2 3.42Å; G345-I348 PolarHBondContact O-N 2.78Å; G345-I348 VanDerWaalsContact O-N 3.08Å; G345-F420 WeakPolarHBondContact CA-O 3.09Å; G345-F420 PolarHBondContact N-O 3.45Å
346I90.1Very high85.3Confident49 Ų4965.1 Ų65.125%0.25133%0.331SS..THydrogen-bonded Turntrans-55.9-26.6-177.7-161.4-178.2000114.3P344 I348 Y349 Q410 E414 S417P344-I346 VanDerWaalsContact C-N 3.26Å; P344-I346 HydrophobicContact CB-CG2 4.45Å; P344-I346 PolarHBondContact O-N 3.29Å; P344-I346 VanDerWaalsContact O-N 3.14Å; I346-I348 PolarHBondContact O-N 3.1Å; I346-Y349 HydrophobicContact CG1-CD2 3.93Å; I346-Y349 HydrophobicContact CG1-CE2 4.47Å; I346-Y349 WeakPolarHBondContact O-CD2 3.48Å; I346-Y349 PolarHBondContact O-N 3.44Å; I346-Q410 VanDerWaalsContact CD1-NE2 3.27Å; I346-E414 HydrophobicContact CD1-CG 3.65Å; I346-S417 WeakPolarHBondContact CA-OG 3.33Å; I346-S417 WeakPolarHBondContact CB-OG 3.48Å; I346-S417 PolarHBondContact N-OG 3.29Å
347F91.2Very high86.1Confident15 Ų1561.5 Ų61.57%0.06631%0.307CS..Hα-helixtrans-58.7-19.8178.1173.1-102.2000113Y333 K343 P344 G345 Y349 E350 L351 V422 I424Y333-F347 HydrophobicContact CE1-CZ 4.14Å; Y333-F347 HydrophobicContact CE2-CZ 4.06Å; Y333-F347 AromaticContact CZ-CZ 3.62Å; Y333-F347 WeakPolarHBondContact OH-CZ 3.05Å; K343-F347 HydrophobicContact CB-CB 3.71Å; K343-F347 HydrophobicContact CB-CD1 3.54Å; K343-F347 HydrophobicContact CB-CD2 4.42Å; K343-F347 HydrophobicContact CB-CE1 4.27Å; K343-F347 HydrophobicContact CB-CG 3.62Å; K343-F347 HydrophobicContact CG-CB 4.44Å; K343-F347 HydrophobicContact CG-CD1 3.62Å; K343-F347 HydrophobicContact CG-CD2 4.25Å; K343-F347 HydrophobicContact CG-CE1 3.84Å; K343-F347 HydrophobicContact CG-CE2 4.45Å; K343-F347 HydrophobicContact CG-CG 3.83Å; K343-F347 HydrophobicContact CG-CZ 4.24Å; P344-F347 VanDerWaalsContact O-CB 3.3Å; P344-F347 WeakPolarHBondContact O-CB 3.43Å; P344-F347 PolarHBondContact O-N 3.18Å; P344-F347 VanDerWaalsContact O-N 3.1Å; G345-F347 PolarHBondContact O-N 3.29Å; F347-Y349 PolarHBondContact O-N 3.15Å; F347-E350 HydrophobicContact CD2-CB 4.32Å; F347-E350 WeakPolarHBondContact CD2-OE2 2.92Å; F347-E350 PolarHBondContact O-N 2.8Å; F347-L351 HydrophobicContact CE1-CB 4.27Å; F347-L351 HydrophobicContact CE1-CD1 3.87Å; F347-L351 HydrophobicContact CZ-CB 4.41Å; F347-L351 HydrophobicContact CZ-CD1 4.24Å; F347-L351 PolarHBondContact O-N 3.04Å; F347-V422 HydrophobicContact CB-CG2 4.43Å; F347-V422 HydrophobicContact CD1-CB 4Å; F347-V422 HydrophobicContact CD1-CG1 3.89Å; F347-V422 HydrophobicContact CD1-CG2 4.11Å; F347-V422 HydrophobicContact CE1-CG1 4.22Å; F347-I424 HydrophobicContact CE1-CD1 4.27Å
348I91.3Very high87.4Confident0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-58-35.2173.1-163.460.2000112F265 G345 I346 L351 L352 V399 V422 L454 Y456F265-I348 HydrophobicContact CZ-CD1 4.38Å; G345-I348 VanDerWaalsContact O-CG2 3.25Å; G345-I348 WeakPolarHBondContact O-CG2 3.42Å; G345-I348 PolarHBondContact O-N 2.78Å; G345-I348 VanDerWaalsContact O-N 3.08Å; I346-I348 PolarHBondContact O-N 3.1Å; I348-L351 PolarHBondContact O-N 2.82Å; I348-L352 HydrophobicContact CD1-CG 4.4Å; I348-L352 HydrophobicContact CG1-CD1 4.13Å; I348-L352 HydrophobicContact CG1-CG 4.34Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 VanDerWaalsContact O-CG 3.23Å; I348-L352 WeakPolarHBondContact O-CG 3.49Å; I348-L352 PolarHBondContact O-N 3.12Å; I348-V399 HydrophobicContact CG1-CG1 3.99Å; I348-V399 HydrophobicContact CG1-CG2 3.87Å; I348-V399 HydrophobicContact CG2-CG1 3.68Å; I348-V422 HydrophobicContact CB-CG2 3.93Å; I348-V422 HydrophobicContact CD1-CG2 4.47Å; I348-L454 HydrophobicContact CD1-CD2 4.25Å; I348-Y456 HydrophobicContact CB-CD2 4.16Å; I348-Y456 HydrophobicContact CB-CE2 3.89Å; I348-Y456 HydrophobicContact CD1-CD2 4.47Å; I348-Y456 HydrophobicContact CG1-CD2 4.24Å; I348-Y456 HydrophobicContact CG1-CE2 4.31Å; I348-Y456 HydrophobicContact CG2-CE2 3.82Å
349Y90.4Very high88.4Confident17 Ų1752.5 Ų52.57%0.06725%0.249CC..Hα-helixtrans-70.4-40.4179.3-60.2-66.2000111.7I346 F347 L352 E353 Y359 V399 F400 M413I346-Y349 HydrophobicContact CG1-CD2 3.93Å; I346-Y349 HydrophobicContact CG1-CE2 4.47Å; I346-Y349 WeakPolarHBondContact O-CD2 3.48Å; I346-Y349 PolarHBondContact O-N 3.44Å; F347-Y349 PolarHBondContact O-N 3.15Å; Y349-L352 PolarHBondContact O-N 3.21Å; Y349-E353 VanDerWaalsContact O-CB 3.26Å; Y349-E353 WeakPolarHBondContact O-CB 3.47Å; Y349-E353 PolarHBondContact O-N 3.13Å; Y349-Y359 HydrophobicContact CD1-CE2 4.24Å; Y349-Y359 AromaticContact CE1-CE2 3.84Å; Y349-Y359 HydrophobicContact CE1-CE2 3.84Å; Y349-Y359 PolarHBondContact OH-OH 3Å; Y349-V399 HydrophobicContact CD1-CG1 3.93Å; Y349-V399 HydrophobicContact CE1-CG1 3.51Å; Y349-V399 WeakPolarHBondContact CE1-O 3.44Å; Y349-V399 PolarHBondContact OH-O 3.38Å; Y349-F400 HydrophobicContact CD1-CD1 4.36Å; Y349-F400 AromaticContact CD1-CE1 3.84Å; Y349-F400 HydrophobicContact CD1-CE1 3.84Å; Y349-F400 HydrophobicContact CD1-CZ 4.44Å; Y349-F400 HydrophobicContact CE1-CD1 4.06Å; Y349-F400 HydrophobicContact CE1-CE1 4.02Å; Y349-M413 HydrophobicContact CD1-CE 4.02Å; Y349-M413 HydrophobicContact CD2-CB 4.26Å; Y349-M413 HydrophobicContact CD2-CE 3.53Å; Y349-M413 HydrophobicContact CE2-CB 3.84Å; Y349-M413 HydrophobicContact CE2-CE 4.09Å; Y349-M413 HydrophobicContact CE2-CG 4.13Å; Y349-M413 HydrophobicContact CG-CE 3.51Å
350E90.4Very high89.2Confident92 Ų9251.4 Ų51.443%0.4325%0.249SC..Hα-helixtrans-62.5-42.8174.4-168.6-154.8135.900111.4F347 R354F347-E350 HydrophobicContact CD2-CB 4.32Å; F347-E350 WeakPolarHBondContact CD2-OE2 2.92Å; F347-E350 PolarHBondContact O-N 2.8Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3.4Å; E350-R354 IonicContact OE1-CZ 3.99Å; E350-R354 IonicContact OE1-NE 3.61Å; E350-R354 IonicContact OE1-NH2 3.24Å; E350-R354 PolarHBondContact OE1-NH2 3.01Å
351L91Very high89.4Confident0 Ų052.3 Ų52.30%025%0.251CS..Hα-helixtrans-68.2-39.3179.5-175.2148.3000112.1L326 I330 Y333 F347 I348 I424 L454L326-L351 HydrophobicContact CD1-CD2 4.01Å; I330-L351 HydrophobicContact CG1-CD1 4.44Å; I330-L351 HydrophobicContact CG1-CD2 4.13Å; Y333-L351 HydrophobicContact CE2-CD1 4.22Å; F347-L351 HydrophobicContact CE1-CB 4.27Å; F347-L351 HydrophobicContact CE1-CD1 3.87Å; F347-L351 HydrophobicContact CZ-CB 4.41Å; F347-L351 HydrophobicContact CZ-CD1 4.24Å; F347-L351 PolarHBondContact O-N 3.04Å; I348-L351 PolarHBondContact O-N 2.82Å; L351-I424 HydrophobicContact CD1-CD1 3.93Å; L351-L454 HydrophobicContact CD1-CD1 4.1Å; L351-L454 HydrophobicContact CD2-CD2 3.74Å
352L90.9Very high89.3Confident0 Ų051.9 Ų51.90%025%0.248CC..Hα-helixtrans-74.9-32.6177.6-68.9-174.8000112.9L326 I348 Y349 R354 A355 H356 L357 M395 V399 F400L326-L352 HydrophobicContact CD1-CD2 3.84Å; I348-L352 HydrophobicContact CD1-CG 4.4Å; I348-L352 HydrophobicContact CG1-CD1 4.13Å; I348-L352 HydrophobicContact CG1-CG 4.34Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 VanDerWaalsContact O-CG 3.23Å; I348-L352 WeakPolarHBondContact O-CG 3.49Å; I348-L352 PolarHBondContact O-N 3.12Å; Y349-L352 PolarHBondContact O-N 3.21Å; L352-R354 VanDerWaalsContact C-N 3.28Å; L352-R354 PolarHBondContact O-N 3.28Å; L352-A355 CarbonylContact O-C 3.59Å; L352-A355 WeakPolarHBondContact O-CA 3.44Å; L352-A355 PolarHBondContact O-N 3Å; L352-H356 PolarHBondContact O-N 3.45Å; L352-L357 CarbonylContact C-O 3.34Å; L352-L357 HydrophobicContact CB-CB 3.91Å; L352-L357 HydrophobicContact CD2-CD1 3.98Å; L352-L357 WeakPolarHBondContact O-CB 3.36Å; L352-L357 PolarHBondContact O-N 2.6Å; L352-M395 HydrophobicContact CD1-CE 4.04Å; L352-M395 HydrophobicContact CD2-CE 3.45Å; L352-M395 VanDerWaalsContact CD2-CE 3.45Å; L352-M395 HydrophobicContact CD2-SD 4.16Å; L352-M395 HydrophobicContact CG-CE 4.43Å; L352-V399 HydrophobicContact CD1-CB 4.32Å; L352-V399 HydrophobicContact CD1-CG1 3.85Å; L352-V399 HydrophobicContact CD1-CG2 4.44Å; L352-F400 HydrophobicContact CD1-CE2 3.9Å; L352-F400 HydrophobicContact CD1-CZ 4.07Å
353E91.3Very high89.1Confident126 Ų12652.5 Ų52.559%0.58925%0.252SS*.Hα-helixtrans-62.7-34.3175.7-177.4163.6-136.600112.2Y349 A355 H356 T358Y349-E353 VanDerWaalsContact O-CB 3.26Å; Y349-E353 WeakPolarHBondContact O-CB 3.47Å; Y349-E353 PolarHBondContact O-N 3.13Å; E353-A355 PolarHBondContact O-N 2.61Å; E353-H356 PolarHBondContact O-N 3.45Å; E353-T358 HydrophobicContact CG-CG2 4.28Å
354R90.3Very high88.9Confident120 Ų12055.3 Ų55.345%0.45327%0.266SS..THydrogen-bonded Turntrans-62-23.2170.9-65.6173.3-171.9-148.74.7113.8A329 Y333 E350 L352A329-R354 HydrophobicContact CB-CB 4.2Å; Y333-R354 PolarHBondContact OH-NH1 3.46Å; Y333-R354 VanDerWaalsContact OH-NH1 3.16Å; Y333-R354 PolarHBondContact OH-NH2 2.82Å; Y333-R354 VanDerWaalsContact OH-NH2 3.1Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3.4Å; E350-R354 IonicContact OE1-CZ 3.99Å; E350-R354 IonicContact OE1-NE 3.61Å; E350-R354 IonicContact OE1-NH2 3.24Å; E350-R354 PolarHBondContact OE1-NH2 3.01Å; L352-R354 VanDerWaalsContact C-N 3.28Å; L352-R354 PolarHBondContact O-N 3.28Å
355A89.4Confident88.8Confident0 Ų052 Ų520%024%0.244CC..THydrogen-bonded Turntrans-102.522.4173.200000112.3D325 L326 L352 E353 L357D325-A355 HydrophobicContact CB-CB 4.32Å; L326-A355 HydrophobicContact CB-CB 3.79Å; L326-A355 HydrophobicContact CD1-CB 4.12Å; L352-A355 CarbonylContact O-C 3.59Å; L352-A355 WeakPolarHBondContact O-CA 3.44Å; L352-A355 PolarHBondContact O-N 3Å; E353-A355 PolarHBondContact O-N 2.61Å; A355-L357 HydrophobicContact CB-CD1 4.38Å; A355-L357 PolarHBondContact O-N 2.65Å
356H89.1Confident88.8Confident115 Ų11553.7 Ų53.753%0.53225%0.251SS..THydrogen-bonded Turntrans6014.5179.5-53-57.4000115.8D325 L352 E353 T361D325-H356 IonicContact OD2-CD2 3.64Å; L352-H356 PolarHBondContact O-N 3.45Å; E353-H356 PolarHBondContact O-N 3.45Å; H356-T361 PolarHBondContact O-OG1 3.11Å
357L88.6Confident88.6Confident2 Ų255 Ų551%0.0126%0.259CS..  trans-89.4105177.4-74.9160.7000110I322 L352 A355 I365 M395 I396 F400I322-L357 HydrophobicContact CG2-CD1 4.05Å; I322-L357 HydrophobicContact CG2-CD2 4.39Å; I322-L357 HydrophobicContact CG2-CG 4.04Å; L352-L357 CarbonylContact C-O 3.34Å; L352-L357 HydrophobicContact CB-CB 3.91Å; L352-L357 HydrophobicContact CD2-CD1 3.98Å; L352-L357 WeakPolarHBondContact O-CB 3.36Å; L352-L357 PolarHBondContact O-N 2.6Å; A355-L357 HydrophobicContact CB-CD1 4.38Å; A355-L357 PolarHBondContact O-N 2.65Å; L357-I365 HydrophobicContact CD2-CB 4.38Å; L357-I365 HydrophobicContact CD2-CD1 3.67Å; L357-I365 HydrophobicContact CD2-CG2 3.77Å; L357-I365 HydrophobicContact CG-CD1 4.41Å; L357-M395 HydrophobicContact CD1-CE 4.22Å; L357-I396 HydrophobicContact CD2-CD1 3.77Å; L357-I396 HydrophobicContact CD2-CG1 4.17Å; L357-F400 WeakPolarHBondContact O-CZ 3.48Å
358T87.6Confident88.4Confident34 Ų3454.6 Ų54.621%0.20926%0.258CS..  trans-134.1167.7-174.271.20000111.7E353 K360 T361 K362E353-T358 HydrophobicContact CG-CG2 4.28Å; T358-K360 PolarHBondContact O-N 3.1Å; T358-K360 PolarHBondContact OG1-N 3.3Å; T358-T361 PolarHBondContact N-OG1 3.44Å; T358-T361 PolarHBondContact O-N 3.23Å; T358-T361 VanDerWaalsContact O-N 3.13Å; T358-T361 PolarHBondContact O-OG1 3.02Å; T358-T361 PolarHBondContact OG1-N 2.74Å; T358-T361 PolarHBondContact OG1-OG1 2.8Å; T358-K362 WeakPolarHBondContact O-CB 3.45Å; T358-K362 PolarHBondContact O-N 3.17Å
359Y83.4Confident88.3Confident45 Ų4554.6 Ų54.618%0.17626%0.258CS..THydrogen-bonded Turntrans-57-21.1172.6-85.6-78.3000114.5Y349 K362 F400 P404 M413Y349-Y359 HydrophobicContact CD1-CE2 4.24Å; Y349-Y359 AromaticContact CE1-CE2 3.84Å; Y349-Y359 HydrophobicContact CE1-CE2 3.84Å; Y349-Y359 PolarHBondContact OH-OH 3Å; Y359-K362 HydrophobicContact CD1-CD 4.16Å; Y359-K362 WeakPolarHBondContact O-CE 3.45Å; Y359-F400 HydrophobicContact CD1-CB 4.34Å; Y359-F400 AromaticContact CD1-CD1 3.84Å; Y359-F400 HydrophobicContact CD1-CD1 3.84Å; Y359-F400 AromaticContact CD2-CD1 3.75Å; Y359-F400 HydrophobicContact CD2-CD1 3.75Å; Y359-F400 AromaticContact CD2-CE1 4Å; Y359-F400 HydrophobicContact CD2-CE1 4Å; Y359-F400 HydrophobicContact CE1-CB 4.01Å; Y359-F400 AromaticContact CE1-CD1 3.83Å; Y359-F400 HydrophobicContact CE1-CD1 3.83Å; Y359-F400 HydrophobicContact CE1-CG 4.44Å; Y359-F400 AromaticContact CE2-CD1 3.74Å; Y359-F400 HydrophobicContact CE2-CD1 3.74Å; Y359-F400 HydrophobicContact CE2-CE1 4.17Å; Y359-F400 AromaticContact CG-CD1 3.8Å; Y359-F400 HydrophobicContact CG-CD1 3.8Å; Y359-F400 HydrophobicContact CG-CE1 4.31Å; Y359-F400 AromaticContact CZ-CD1 3.79Å; Y359-P404 HydrophobicContact CD1-CG 3.77Å; Y359-P404 HydrophobicContact CD2-CG 4.25Å; Y359-P404 VanDerWaalsContact CE1-CD 3.48Å; Y359-P404 HydrophobicContact CE1-CG 3.77Å; Y359-P404 HydrophobicContact CE2-CG 4.24Å; Y359-P404 HydrophobicContact CG-CG 4.02Å; Y359-M413 HydrophobicContact CD2-SD 4.31Å; Y359-M413 HydrophobicContact CE2-CE 4.23Å; Y359-M413 HydrophobicContact CE2-CG 3.81Å; Y359-M413 HydrophobicContact CE2-SD 3.82Å
360K85.6Confident88Confident183 Ų18357.8 Ų57.880%0.79627%0.273SS*.THydrogen-bonded Turntrans-83-43.7174.8-66.2-179.7178.3178.30112T358T358-K360 PolarHBondContact O-N 3.1Å; T358-K360 PolarHBondContact OG1-N 3.3Å
361T86.8Confident87.6Confident39 Ų3957.7 Ų57.724%0.23927%0.273CS..THydrogen-bonded Turntrans-87-11.4-17550.60000113.7H356 T358 T363 E364 I365H356-T361 PolarHBondContact O-OG1 3.11Å; T358-T361 PolarHBondContact N-OG1 3.44Å; T358-T361 PolarHBondContact O-N 3.23Å; T358-T361 VanDerWaalsContact O-N 3.13Å; T358-T361 PolarHBondContact O-OG1 3.02Å; T358-T361 PolarHBondContact OG1-N 2.74Å; T358-T361 PolarHBondContact OG1-OG1 2.8Å; T361-T363 VanDerWaalsContact C-N 3.32Å; T361-T363 PolarHBondContact O-N 2.99Å; T361-E364 PolarHBondContact O-N 3.27Å; T361-I365 WeakPolarHBondContact O-CG1 3.45Å; T361-I365 PolarHBondContact O-N 3.15Å; T361-I365 VanDerWaalsContact O-N 3.11Å
362K86.6Confident87.3Confident28 Ų2857.7 Ų57.712%0.12227%0.273CS..Hα-helixtrans-51.9-41.4-174.969.2-179.6169.266.70114.7T358 Y359 H366 I396 F400 E403T358-K362 WeakPolarHBondContact O-CB 3.45Å; T358-K362 PolarHBondContact O-N 3.17Å; Y359-K362 HydrophobicContact CD1-CD 4.16Å; Y359-K362 WeakPolarHBondContact O-CE 3.45Å; K362-H366 WeakPolarHBondContact O-CB 3.48Å; K362-H366 PolarHBondContact O-N 2.89Å; K362-I396 HydrophobicContact CB-CG2 4.27Å; K362-F400 HydrophobicContact CB-CD2 4.34Å; K362-F400 HydrophobicContact CB-CG 4.35Å; K362-F400 HydrophobicContact CD-CB 3.72Å; K362-F400 HydrophobicContact CD-CG 4.24Å; K362-E403 IonicContact NZ-OE1 3.18Å; K362-E403 PolarHBondContact NZ-OE1 3.19Å
363T86.6Confident86.9Confident69 Ų6958.7 Ų58.742%0.42328%0.278SS..Hα-helixtrans-75.8-50-174.7400000111.3T361 I365 H366 D367T361-T363 VanDerWaalsContact C-N 3.32Å; T361-T363 PolarHBondContact O-N 2.99Å; T363-I365 VanDerWaalsContact C-N 3.3Å; T363-I365 PolarHBondContact O-N 3.42Å; T363-H366 PolarHBondContact O-N 3.01Å; T363-D367 WeakPolarHBondContact O-CB 3.46Å; T363-D367 VanDerWaalsContact O-CG 3.24Å; T363-D367 PolarHBondContact O-N 2.8Å
364E87.1Confident86.2Confident142 Ų14253.6 Ų53.666%0.66426%0.259SS*.Hα-helixtrans-56.5-44.7177.4-61.5176.8-177.900111.6T361 A368T361-E364 PolarHBondContact O-N 3.27Å; E364-A368 WeakPolarHBondContact O-CB 3.43Å; E364-A368 PolarHBondContact O-N 2.97Å
365I88.5Confident85.6Confident12 Ų1249 Ų496%0.06225%0.245CC..Hα-helixtrans-70.9-42.7179.4-62.1168.2000110.8I319 I322 L357 T361 T363 A368 L369 I396I319-I365 HydrophobicContact CD1-CB 4.27Å; I319-I365 HydrophobicContact CD1-CG1 4.38Å; I319-I365 HydrophobicContact CD1-CG2 3.71Å; I322-I365 HydrophobicContact CD1-CD1 3.68Å; I322-I365 HydrophobicContact CD1-CG1 3.99Å; L357-I365 HydrophobicContact CD2-CB 4.38Å; L357-I365 HydrophobicContact CD2-CD1 3.67Å; L357-I365 HydrophobicContact CD2-CG2 3.77Å; L357-I365 HydrophobicContact CG-CD1 4.41Å; T361-I365 WeakPolarHBondContact O-CG1 3.45Å; T361-I365 PolarHBondContact O-N 3.15Å; T361-I365 VanDerWaalsContact O-N 3.11Å; T363-I365 VanDerWaalsContact C-N 3.3Å; T363-I365 PolarHBondContact O-N 3.42Å; I365-A368 PolarHBondContact O-N 3.38Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.4Å; I365-L369 WeakPolarHBondContact O-CB 2.79Å; I365-L369 WeakPolarHBondContact O-CD1 3.49Å; I365-L369 WeakPolarHBondContact O-CG 3.12Å; I365-L369 PolarHBondContact O-N 3.25Å; I365-I396 HydrophobicContact CG2-CD1 4.07Å
366H87.9Confident84.9Confident39 Ų3949.6 Ų49.618%0.18125%0.249CC..Hα-helixtrans-57.6-50.5175.6172.4-86.1000112K362 T363 A368 L369 E370K362-H366 WeakPolarHBondContact O-CB 3.48Å; K362-H366 PolarHBondContact O-N 2.89Å; T363-H366 PolarHBondContact O-N 3.01Å; H366-A368 PolarHBondContact O-N 3.2Å; H366-L369 PolarHBondContact O-N 3.47Å; H366-E370 IonicContact NE2-OE1 2.71Å; H366-E370 IonicContact NE2-OE2 3.75Å; H366-E370 PolarHBondContact NE2-OE2 2.69Å; H366-E370 PolarHBondContact O-N 2.89Å
367D87Confident83.9Confident78 Ų7845.5 Ų45.542%0.41724%0.235SC..Hα-helixtrans-72.1-32.4-175-62.2-16000111.2T363 Q371T363-D367 WeakPolarHBondContact O-CB 3.46Å; T363-D367 VanDerWaalsContact O-CG 3.24Å; T363-D367 PolarHBondContact O-N 2.8Å; D367-Q371 WeakPolarHBondContact O-CB 3.09Å; D367-Q371 VanDerWaalsContact O-CG 3.23Å; D367-Q371 WeakPolarHBondContact O-CG 3.37Å; D367-Q371 PolarHBondContact O-N 3.04Å; D367-Q371 VanDerWaalsContact O-N 3.17Å; D367-Q371 PolarHBondContact O-NE2 3.07Å
368A87.7Confident82.7Confident5 Ų547.8 Ų47.84%0.04126%0.259CS..Hα-helixtrans-64.9-42.8169.400000111.9T315 I319 E364 I365 H366 Q371 I372T315-A368 HydrophobicContact CG2-CB 4Å; I319-A368 HydrophobicContact CD1-CB 4.1Å; I319-A368 HydrophobicContact CG1-CB 4.13Å; E364-A368 WeakPolarHBondContact O-CB 3.43Å; E364-A368 PolarHBondContact O-N 2.97Å; I365-A368 PolarHBondContact O-N 3.38Å; H366-A368 PolarHBondContact O-N 3.2Å; A368-Q371 PolarHBondContact O-N 3.02Å; A368-I372 WeakPolarHBondContact O-CB 3.5Å; A368-I372 VanDerWaalsContact O-CG1 3.23Å; A368-I372 WeakPolarHBondContact O-CG1 3.46Å; A368-I372 PolarHBondContact O-N 3.43Å
369L87.7Confident81.6Confident0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-64.7-44.3177.6-74.2163.6000112.3I319 I365 H366 Q371 I372 I373 L389 L392 V393 I396I319-L369 HydrophobicContact CD1-CG 4.35Å; I319-L369 HydrophobicContact CG2-CD2 3.78Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.4Å; I365-L369 WeakPolarHBondContact O-CB 2.79Å; I365-L369 WeakPolarHBondContact O-CD1 3.49Å; I365-L369 WeakPolarHBondContact O-CG 3.12Å; I365-L369 PolarHBondContact O-N 3.25Å; H366-L369 PolarHBondContact O-N 3.47Å; L369-Q371 VanDerWaalsContact C-N 3.32Å; L369-Q371 PolarHBondContact O-N 2.88Å; L369-I372 PolarHBondContact O-N 3.33Å; L369-I373 WeakPolarHBondContact O-CD1 3.26Å; L369-I373 VanDerWaalsContact O-CG1 3.23Å; L369-I373 WeakPolarHBondContact O-CG1 2.91Å; L369-I373 PolarHBondContact O-N 3.32Å; L369-L389 HydrophobicContact CD2-CD2 3.7Å; L369-L392 HydrophobicContact CD1-CD2 3.71Å; L369-L392 HydrophobicContact CD1-CG 4.12Å; L369-L392 HydrophobicContact CD2-CD2 4.04Å; L369-V393 HydrophobicContact CB-CG2 3.53Å; L369-V393 HydrophobicContact CD1-CG2 4.17Å; L369-V393 HydrophobicContact CG-CG2 4.45Å; L369-I396 HydrophobicContact CD1-CD1 3.79Å
370E84.3Confident80.1Confident84 Ų8454.3 Ų54.339%0.39330%0.302SS..Hα-helixtrans-63.5-37.4176.2-71.2-147.2148.900112.1H366 I373 G374 V393H366-E370 IonicContact NE2-OE1 2.71Å; H366-E370 IonicContact NE2-OE2 3.75Å; H366-E370 PolarHBondContact NE2-OE2 2.69Å; H366-E370 PolarHBondContact O-N 2.89Å; E370-I373 PolarHBondContact O-N 2.82Å; E370-G374 PolarHBondContact O-N 2.83Å; E370-V393 HydrophobicContact CG-CG1 4.26Å; E370-V393 HydrophobicContact CG-CG2 4.33Å
371Q83Confident78.3Confident91 Ų9149.6 Ų49.643%0.42531%0.305SS..Hα-helixtrans-68.4-40.6175.2-71.2172.48300112.8I311 D367 A368 L369 G374 S375I311-Q371 HydrophobicContact CD1-CB 3.61Å; I311-Q371 HydrophobicContact CG1-CB 4.23Å; D367-Q371 WeakPolarHBondContact O-CB 3.09Å; D367-Q371 VanDerWaalsContact O-CG 3.23Å; D367-Q371 WeakPolarHBondContact O-CG 3.37Å; D367-Q371 PolarHBondContact O-N 3.04Å; D367-Q371 VanDerWaalsContact O-N 3.17Å; D367-Q371 PolarHBondContact O-NE2 3.07Å; A368-Q371 PolarHBondContact O-N 3.02Å; L369-Q371 VanDerWaalsContact C-N 3.32Å; L369-Q371 PolarHBondContact O-N 2.88Å; Q371-G374 PolarHBondContact O-N 3.36Å; Q371-S375 PolarHBondContact O-N 3.02Å; Q371-S375 PolarHBondContact O-OG 3.42Å
372I84.8Confident76.4Confident0 Ų053.2 Ų53.20%032%0.321CS..Hα-helixtrans-62.6-41.2173.8-72.1167.8000111.1V279 L282 I311 I316 I319 A368 L369 G374 S375 L376 L389V279-I372 HydrophobicContact CG2-CG2 4.35Å; L282-I372 HydrophobicContact CD2-CB 4.24Å; L282-I372 HydrophobicContact CD2-CG1 3.91Å; L282-I372 HydrophobicContact CD2-CG2 3.92Å; I311-I372 HydrophobicContact CD1-CG1 4.15Å; I316-I372 HydrophobicContact CG2-CD1 4.31Å; I319-I372 HydrophobicContact CB-CD1 4.19Å; I319-I372 HydrophobicContact CG1-CD1 4.09Å; I319-I372 HydrophobicContact CG2-CD1 4.07Å; A368-I372 WeakPolarHBondContact O-CB 3.5Å; A368-I372 VanDerWaalsContact O-CG1 3.23Å; A368-I372 WeakPolarHBondContact O-CG1 3.46Å; A368-I372 PolarHBondContact O-N 3.43Å; L369-I372 PolarHBondContact O-N 3.33Å; I372-G374 VanDerWaalsContact C-N 3.31Å; I372-G374 PolarHBondContact O-N 3.08Å; I372-S375 PolarHBondContact O-OG 3.03Å; I372-L376 HydrophobicContact CG2-CD1 3.87Å; I372-L376 WeakPolarHBondContact O-CB 3.38Å; I372-L376 WeakPolarHBondContact O-CD1 3.47Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.23Å; I372-L376 PolarHBondContact O-N 3.3Å; I372-L376 VanDerWaalsContact O-N 3.15Å; I372-L389 HydrophobicContact CG2-CD1 3.91Å
373I82.8Confident74.8Confident21 Ų2159.4 Ų59.411%0.10835%0.348CS..Hα-helixtrans-63.7-39.7174.8-68.7163.1000110.6L369 E370 A377 L389 Q390 V393L369-I373 WeakPolarHBondContact O-CD1 3.26Å; L369-I373 VanDerWaalsContact O-CG1 3.23Å; L369-I373 WeakPolarHBondContact O-CG1 2.91Å; L369-I373 PolarHBondContact O-N 3.32Å; E370-I373 PolarHBondContact O-N 2.82Å; I373-A377 VanDerWaalsContact O-CB 3.26Å; I373-A377 WeakPolarHBondContact O-CB 3.41Å; I373-A377 PolarHBondContact O-N 2.91Å; I373-A377 VanDerWaalsContact O-N 3.15Å; I373-L389 HydrophobicContact CD1-CB 3.85Å; I373-L389 HydrophobicContact CG1-CB 3.68Å; I373-L389 HydrophobicContact CG1-CD1 4.24Å; I373-Q390 HydrophobicContact CD1-CB 4.39Å; I373-V393 HydrophobicContact CD1-CG2 3.99Å
374G75.6Confident73.6Confident19 Ų1957.8 Ų57.820%0.19634%0.337CS..Hα-helixtrans-63.7-49.1177.500000113.4H161 E370 Q371 I372 A377 G378H161-G374 PolarHBondContact CE1-O 3.09Å; H161-G374 PolarHBondContact NE2-O 2.97Å; E370-G374 PolarHBondContact O-N 2.83Å; Q371-G374 PolarHBondContact O-N 3.36Å; I372-G374 VanDerWaalsContact C-N 3.31Å; I372-G374 PolarHBondContact O-N 3.08Å; G374-A377 PolarHBondContact O-N 3Å; G374-G378 PolarHBondContact O-N 3.36Å; G374-G378 VanDerWaalsContact O-N 3.15Å
375S76.9Confident72.6Confident23 Ų2353.3 Ų53.316%0.16132%0.322CS..Hα-helixtrans-64.9-47179.962.10000112.2Q371 I372 A377 G378 L379Q371-S375 PolarHBondContact O-N 3.02Å; Q371-S375 PolarHBondContact O-OG 3.42Å; I372-S375 PolarHBondContact O-OG 3.03Å; S375-A377 PolarHBondContact O-N 3.25Å; S375-G378 PolarHBondContact O-N 2.94Å; S375-L379 PolarHBondContact O-N 3.45Å
376L75.6Confident72.1Confident13 Ų1353.3 Ų53.37%0.06832%0.322CS..Hα-helixtrans-58.3-34.3176.5-74.7172.1000113A278 L282 I372 G378 L379 L384 T386 L389A278-L376 HydrophobicContact CB-CD1 3.87Å; L282-L376 HydrophobicContact CB-CD2 4.17Å; I372-L376 HydrophobicContact CG2-CD1 3.87Å; I372-L376 WeakPolarHBondContact O-CB 3.38Å; I372-L376 WeakPolarHBondContact O-CD1 3.47Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.23Å; I372-L376 PolarHBondContact O-N 3.3Å; I372-L376 VanDerWaalsContact O-N 3.15Å; L376-G378 VanDerWaalsContact C-N 3.33Å; L376-L379 HydrophobicContact CD2-CD1 4.49Å; L376-L384 HydrophobicContact CD2-CD1 4.34Å; L376-T386 HydrophobicContact CB-CG2 3.96Å; L376-T386 HydrophobicContact CD1-CG2 4.21Å; L376-L389 HydrophobicContact CD1-CD1 3.91Å
377A68.3Low71.6Confident29 Ų2953.1 Ų53.124%0.2433%0.328CS..THydrogen-bonded Turntrans-87.11.4177.300000113.9H161 I373 G374 S375H161-A377 HydrophobicContact CB-CB 3.76Å; H161-A377 VanDerWaalsContact CG-CB 3.43Å; H161-A377 VanDerWaalsContact ND1-CB 3.28Å; H161-A377 WeakPolarHBondContact ND1-CB 3.43Å; H161-A377 PolarHBondContact ND1-O 3.46Å; I373-A377 VanDerWaalsContact O-CB 3.26Å; I373-A377 WeakPolarHBondContact O-CB 3.41Å; I373-A377 PolarHBondContact O-N 2.91Å; I373-A377 VanDerWaalsContact O-N 3.15Å; G374-A377 PolarHBondContact O-N 3Å; S375-A377 PolarHBondContact O-N 3.25Å
378G62.7Low71.4Confident50 Ų5049.6 Ų49.652%0.51531%0.309SS..THydrogen-bonded Turntrans-95.6-22.7169.100000113.9G374 S375 L376G374-G378 PolarHBondContact O-N 3.36Å; G374-G378 VanDerWaalsContact O-N 3.15Å; S375-G378 PolarHBondContact O-N 2.94Å; L376-G378 VanDerWaalsContact C-N 3.33Å
379L65.6Low71.4Confident92 Ų9249.3 Ų49.348%0.48231%0.307SS..SBendtrans-70123.3-177.2-69.3171.5000112.2S375 L376S375-L379 PolarHBondContact O-N 3.45Å; L376-L379 HydrophobicContact CD2-CD1 4.49Å
380P50.3Low71.3Confident124 Ų12450.7 Ų50.781%0.80531%0.313SS*.SBendtrans-76.7137.6179.130.3-33.9000112.4
381G49.7Very low71.4Confident83 Ų8350.9 Ų50.986%0.85631%0.313SS*.SBendtrans103.9-8.6158.500000118
382I46.8Very low71.7Confident115 Ų11546.7 Ų46.759%0.5929%0.294SS*.  trans-126.7119.4-179.7-54.5-179.1000111.1L384I382-L384 HydrophobicContact CG2-CD1 4.27Å; I382-L384 HydrophobicContact CG2-CG 4.21Å; I382-L384 PolarHBondContact O-N 3.47Å; I382-L384 VanDerWaalsContact O-N 3.08Å
383F51.5Low71.9Confident158 Ų15846.7 Ų46.769%0.69329%0.294SS*.  trans-69104169.9-79.4-92.8000110.3I158I158-F383 HydrophobicContact CD1-CD1 4.44Å
384L61.2Low72.1Confident35 Ų3548.3 Ų48.318%0.18330%0.302CS..  trans-113.7131.5171.4-89.9159.1000110.2L376 I382 T386L376-L384 HydrophobicContact CD2-CD1 4.34Å; I382-L384 HydrophobicContact CG2-CD1 4.27Å; I382-L384 HydrophobicContact CG2-CG 4.21Å; I382-L384 PolarHBondContact O-N 3.47Å; I382-L384 VanDerWaalsContact O-N 3.08Å; L384-T386 PolarHBondContact O-N 3.18Å
385S67.1Low72.7Confident49 Ų4947.5 Ų47.534%0.34329%0.294SS..  trans-81.996178.1-175.20000110.5S274 A387S274-S385 WeakPolarHBondContact OG-CB 3.24Å; S274-S385 PolarHBondContact OG-O 3.07Å; S274-S385 VanDerWaalsContact OG-O 3.07Å; S385-A387 PolarHBondContact O-N 2.76Å
386T77Confident73.3Confident11 Ų1146.7 Ų46.77%0.06729%0.287CS..THydrogen-bonded Turntrans-74.92.5170.752.60000113.2L376 L384 G388 L389 Q390L376-T386 HydrophobicContact CB-CG2 3.96Å; L376-T386 HydrophobicContact CD1-CG2 4.21Å; L384-T386 PolarHBondContact O-N 3.18Å; T386-G388 VanDerWaalsContact C-N 3.34Å; T386-G388 PolarHBondContact O-N 3.19Å; T386-L389 PolarHBondContact O-N 3.49Å; T386-Q390 PolarHBondContact O-N 3.04Å
387A77.6Confident73.8Confident36 Ų3648.3 Ų48.330%0.29830%0.295SS..Hα-helixtrans-61.1-37.9-175.900000113.3S385 Q390 K391S385-A387 PolarHBondContact O-N 2.76Å; A387-Q390 PolarHBondContact O-N 3.02Å; A387-K391 PolarHBondContact O-N 2.78Å
388G84Confident74.6Confident3 Ų348.3 Ų48.33%0.03129%0.291CS..Hα-helixtrans-63.1-45.7176.300000112.9D271 T386 Q390 K391 L392D271-G388 WeakPolarHBondContact O-CA 3.46Å; T386-G388 VanDerWaalsContact C-N 3.34Å; T386-G388 PolarHBondContact O-N 3.19Å; G388-Q390 VanDerWaalsContact C-N 3.33Å; G388-Q390 PolarHBondContact O-N 3.36Å; G388-K391 PolarHBondContact O-N 3.31Å; G388-L392 PolarHBondContact O-N 3.39Å; G388-L392 VanDerWaalsContact O-N 3.07Å
389L87.1Confident75.8Confident0 Ų046 Ų460%027%0.266CS..Hα-helixtrans-62.8-40.6175.3-65.3168.9000111.5A275 A278 V279 L323 L369 I372 I373 L376 T386 L392 V393A275-L389 HydrophobicContact CB-CD2 3.75Å; A275-L389 HydrophobicContact CB-CG 3.97Å; A278-L389 HydrophobicContact CB-CD1 3.87Å; V279-L389 HydrophobicContact CG2-CD1 4.44Å; V279-L389 HydrophobicContact CG2-CD2 3.83Å; L323-L389 HydrophobicContact CD1-CD2 4.32Å; L369-L389 HydrophobicContact CD2-CD2 3.7Å; I372-L389 HydrophobicContact CG2-CD1 3.91Å; I373-L389 HydrophobicContact CD1-CB 3.85Å; I373-L389 HydrophobicContact CG1-CB 3.68Å; I373-L389 HydrophobicContact CG1-CD1 4.24Å; L376-L389 HydrophobicContact CD1-CD1 3.91Å; T386-L389 PolarHBondContact O-N 3.49Å; L389-L392 WeakPolarHBondContact O-CB 3.4Å; L389-L392 PolarHBondContact O-N 2.85Å; L389-V393 PolarHBondContact O-N 2.7Å
390Q85.6Confident76.7Confident28 Ų2842.3 Ų42.313%0.13125%0.246CC..Hα-helixtrans-65.4-38.9176.7-177.768.194.500112.3K233 I373 T386 A387 G388 L392 V393 D394K233-Q390 VanDerWaalsContact NZ-CD 3.29Å; I373-Q390 HydrophobicContact CD1-CB 4.39Å; T386-Q390 PolarHBondContact O-N 3.04Å; A387-Q390 PolarHBondContact O-N 3.02Å; G388-Q390 VanDerWaalsContact C-N 3.33Å; G388-Q390 PolarHBondContact O-N 3.36Å; Q390-L392 VanDerWaalsContact C-N 3.29Å; Q390-L392 PolarHBondContact O-N 3.11Å; Q390-V393 PolarHBondContact O-N 3.2Å; Q390-D394 PolarHBondContact NE2-OD1 3.04Å; Q390-D394 WeakPolarHBondContact O-CB 3.23Å; Q390-D394 PolarHBondContact O-N 2.69Å
391K87.2Confident77.8Confident88 Ų8838.2 Ų38.238%0.38322%0.22SC..Hα-helixtrans-60.9-38.7172.3-81.8-177.4172.4-172.30111.9D266 D271 A387 G388 D394 M395D266-K391 PolarHBondContact O-NZ 2.68Å; D271-K391 HydrophobicContact CB-CD 4.14Å; D271-K391 VanDerWaalsContact CG-CD 3.5Å; D271-K391 VanDerWaalsContact OD1-CD 3.29Å; D271-K391 WeakPolarHBondContact OD1-CD 3.47Å; D271-K391 VanDerWaalsContact OD1-CE 3.31Å; D271-K391 WeakPolarHBondContact OD1-CE 3.3Å; D271-K391 IonicContact OD1-NZ 2.74Å; D271-K391 PolarHBondContact OD1-NZ 3.42Å; D271-K391 IonicContact OD2-NZ 2.84Å; D271-K391 PolarHBondContact OD2-NZ 3.07Å; A387-K391 PolarHBondContact O-N 2.78Å; G388-K391 PolarHBondContact O-N 3.31Å; K391-D394 PolarHBondContact O-N 2.76Å; K391-M395 WeakPolarHBondContact O-CB 3.38Å; K391-M395 PolarHBondContact O-N 3.25Å
392L88.9Confident78.6Confident4 Ų436.6 Ų36.62%0.02120%0.203CC..Hα-helixtrans-66.4-42.8177.2-167.872.6000112L323 L326 L369 G388 L389 Q390 D394 M395 I396L323-L392 HydrophobicContact CD2-CD2 3.77Å; L326-L392 HydrophobicContact CD2-CD1 3.68Å; L369-L392 HydrophobicContact CD1-CD2 3.71Å; L369-L392 HydrophobicContact CD1-CG 4.12Å; L369-L392 HydrophobicContact CD2-CD2 4.04Å; G388-L392 PolarHBondContact O-N 3.39Å; G388-L392 VanDerWaalsContact O-N 3.07Å; L389-L392 WeakPolarHBondContact O-CB 3.4Å; L389-L392 PolarHBondContact O-N 2.85Å; Q390-L392 VanDerWaalsContact C-N 3.29Å; Q390-L392 PolarHBondContact O-N 3.11Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 2.71Å; L392-M395 HydrophobicContact CD1-CE 3.44Å; L392-M395 VanDerWaalsContact CD1-CE 3.44Å; L392-M395 HydrophobicContact CD1-SD 4.33Å; L392-M395 HydrophobicContact CG-CE 4.48Å; L392-M395 WeakPolarHBondContact O-CB 3.33Å; L392-M395 PolarHBondContact O-N 3.17Å; L392-I396 HydrophobicContact CG-CD1 4.19Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.74Å
393V88.5Confident79.2Confident0 Ų038 Ų380%021%0.208CC..Hα-helixtrans-56-47.2171.1165.80000111L369 E370 I373 L389 Q390 I396 Q397L369-V393 HydrophobicContact CB-CG2 3.53Å; L369-V393 HydrophobicContact CD1-CG2 4.17Å; L369-V393 HydrophobicContact CG-CG2 4.45Å; E370-V393 HydrophobicContact CG-CG1 4.26Å; E370-V393 HydrophobicContact CG-CG2 4.33Å; I373-V393 HydrophobicContact CD1-CG2 3.99Å; L389-V393 PolarHBondContact O-N 2.7Å; Q390-V393 PolarHBondContact O-N 3.2Å; V393-I396 PolarHBondContact O-N 3.37Å; V393-Q397 WeakPolarHBondContact O-CG 3.1Å; V393-Q397 PolarHBondContact O-N 3.25Å
394D85.9Confident79.9Confident54 Ų5431.4 Ų31.429%0.28918%0.18SC..Hα-helixtrans-69.5-36.8-176.6-65.20.7000111.7K233 Q390 K391 L392 Q397 L398K233-D394 IonicContact NZ-OD1 3.81Å; K233-D394 PolarHBondContact NZ-OD1 3.38Å; K233-D394 IonicContact NZ-OD2 2.78Å; K233-D394 PolarHBondContact NZ-OD2 3.28Å; Q390-D394 PolarHBondContact NE2-OD1 3.04Å; Q390-D394 WeakPolarHBondContact O-CB 3.23Å; Q390-D394 PolarHBondContact O-N 2.69Å; K391-D394 PolarHBondContact O-N 2.76Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 2.71Å; D394-Q397 PolarHBondContact O-N 3.16Å; D394-L398 WeakPolarHBondContact O-CB 3.19Å; D394-L398 PolarHBondContact O-N 2.92Å
395M90.2Very high79.9Confident2 Ų233.5 Ų33.51%0.0120%0.198CC..Hα-helixtrans-58.6-50.3169.8173.5-175.192.500111.6F265 L267 L352 L357 K391 L392 Q397 L398 V399F265-M395 HydrophobicContact CD1-CB 4.36Å; F265-M395 HydrophobicContact CD1-CG 4.35Å; F265-M395 HydrophobicContact CE1-CB 4.13Å; F265-M395 HydrophobicContact CE1-CG 3.64Å; F265-M395 HydrophobicContact CE2-CG 3.99Å; F265-M395 HydrophobicContact CE2-SD 3.97Å; F265-M395 HydrophobicContact CZ-CB 4.24Å; F265-M395 HydrophobicContact CZ-CG 3.45Å; F265-M395 VanDerWaalsContact CZ-CG 3.45Å; F265-M395 HydrophobicContact CZ-SD 3.84Å; L267-M395 HydrophobicContact CD2-SD 4.46Å; L352-M395 HydrophobicContact CD1-CE 4.04Å; L352-M395 HydrophobicContact CD2-CE 3.45Å; L352-M395 VanDerWaalsContact CD2-CE 3.45Å; L352-M395 HydrophobicContact CD2-SD 4.16Å; L352-M395 HydrophobicContact CG-CE 4.43Å; L357-M395 HydrophobicContact CD1-CE 4.22Å; K391-M395 WeakPolarHBondContact O-CB 3.38Å; K391-M395 PolarHBondContact O-N 3.25Å; L392-M395 HydrophobicContact CD1-CE 3.44Å; L392-M395 VanDerWaalsContact CD1-CE 3.44Å; L392-M395 HydrophobicContact CD1-SD 4.33Å; L392-M395 HydrophobicContact CG-CE 4.48Å; L392-M395 WeakPolarHBondContact O-CB 3.33Å; L392-M395 PolarHBondContact O-N 3.17Å; M395-Q397 VanDerWaalsContact C-N 3.33Å; M395-Q397 PolarHBondContact O-N 3.45Å; M395-L398 PolarHBondContact O-N 3.08Å; M395-L398 VanDerWaalsContact O-N 3.15Å; M395-V399 HydrophobicContact CG-CG2 4.15Å; M395-V399 WeakPolarHBondContact O-CG2 2.99Å; M395-V399 PolarHBondContact O-N 3.07Å
396I88.3Confident79.5Confident6 Ų637.4 Ų37.43%0.03122%0.215CC..Hα-helixtrans-61.5-43.3-178.9-69164.8000110.2L357 K362 I365 L369 L392 V393 L398 F400L357-I396 HydrophobicContact CD2-CD1 3.77Å; L357-I396 HydrophobicContact CD2-CG1 4.17Å; K362-I396 HydrophobicContact CB-CG2 4.27Å; I365-I396 HydrophobicContact CG2-CD1 4.07Å; L369-I396 HydrophobicContact CD1-CD1 3.79Å; L392-I396 HydrophobicContact CG-CD1 4.19Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.74Å; V393-I396 PolarHBondContact O-N 3.37Å; I396-L398 VanDerWaalsContact C-N 3.3Å; I396-L398 PolarHBondContact O-N 3.41Å; I396-F400 HydrophobicContact CG2-CD2 4.1Å; I396-F400 PolarHBondContact O-N 2.59Å; I396-F400 VanDerWaalsContact O-N 3.16Å
397Q86.3Confident78.6Confident48 Ų4846.1 Ų46.122%0.22425%0.252CS..Hα-helixtrans-63.6-30.7176-71.2-171.619.200113.6V393 D394 M395V393-Q397 WeakPolarHBondContact O-CG 3.1Å; V393-Q397 PolarHBondContact O-N 3.25Å; D394-Q397 PolarHBondContact O-N 3.16Å; M395-Q397 VanDerWaalsContact C-N 3.33Å; M395-Q397 PolarHBondContact O-N 3.45Å
398L86.2Confident78.1Confident29 Ų2947.8 Ų47.815%0.15226%0.256CS..Hα-helixtrans-82.4-47.7178.5-176.469.5000112.5T263 F265 D394 M395 I396 C401 F420 Y456T263-L398 HydrophobicContact CG2-CD1 4.32Å; F265-L398 HydrophobicContact CD1-CD2 3.89Å; F265-L398 HydrophobicContact CE1-CD2 4.28Å; D394-L398 WeakPolarHBondContact O-CB 3.19Å; D394-L398 PolarHBondContact O-N 2.92Å; M395-L398 PolarHBondContact O-N 3.08Å; M395-L398 VanDerWaalsContact O-N 3.15Å; I396-L398 VanDerWaalsContact C-N 3.3Å; I396-L398 PolarHBondContact O-N 3.41Å; L398-C401 WeakPolarHBondContact O-CB 3.41Å; L398-C401 PolarHBondContact O-N 3.45Å; L398-C401 PolarHBondContact O-SG 2.8Å; L398-F420 HydrophobicContact CD2-CE1 4.48Å; L398-Y456 HydrophobicContact CD2-CD1 4.26Å
399V85.9Confident77.5Confident0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-71.9-39.1-173.4174.40000111.6F265 I348 Y349 L352 M395 C401 Y456F265-V399 HydrophobicContact CE1-CG2 3.91Å; F265-V399 HydrophobicContact CZ-CG2 4.28Å; I348-V399 HydrophobicContact CG1-CG1 3.99Å; I348-V399 HydrophobicContact CG1-CG2 3.87Å; I348-V399 HydrophobicContact CG2-CG1 3.68Å; Y349-V399 HydrophobicContact CD1-CG1 3.93Å; Y349-V399 HydrophobicContact CE1-CG1 3.51Å; Y349-V399 WeakPolarHBondContact CE1-O 3.44Å; Y349-V399 PolarHBondContact OH-O 3.38Å; L352-V399 HydrophobicContact CD1-CB 4.32Å; L352-V399 HydrophobicContact CD1-CG1 3.85Å; L352-V399 HydrophobicContact CD1-CG2 4.44Å; M395-V399 HydrophobicContact CG-CG2 4.15Å; M395-V399 WeakPolarHBondContact O-CG2 2.99Å; M395-V399 PolarHBondContact O-N 3.07Å; V399-C401 VanDerWaalsContact C-N 3.31Å; V399-C401 PolarHBondContact O-N 3.31Å; V399-Y456 HydrophobicContact CG2-CD1 4.24Å; V399-Y456 HydrophobicContact CG2-CE1 4.11Å
400F84.4Confident76.9Confident16 Ų1656.7 Ų56.77%0.0730%0.295CS..THydrogen-bonded Turntrans-96.532.9177.6-57.4-77.6000112.3Y349 L352 L357 Y359 K362 I396Y349-F400 HydrophobicContact CD1-CD1 4.36Å; Y349-F400 AromaticContact CD1-CE1 3.84Å; Y349-F400 HydrophobicContact CD1-CE1 3.84Å; Y349-F400 HydrophobicContact CD1-CZ 4.44Å; Y349-F400 HydrophobicContact CE1-CD1 4.06Å; Y349-F400 HydrophobicContact CE1-CE1 4.02Å; L352-F400 HydrophobicContact CD1-CE2 3.9Å; L352-F400 HydrophobicContact CD1-CZ 4.07Å; L357-F400 WeakPolarHBondContact O-CZ 3.48Å; Y359-F400 HydrophobicContact CD1-CB 4.34Å; Y359-F400 AromaticContact CD1-CD1 3.84Å; Y359-F400 HydrophobicContact CD1-CD1 3.84Å; Y359-F400 AromaticContact CD2-CD1 3.75Å; Y359-F400 HydrophobicContact CD2-CD1 3.75Å; Y359-F400 AromaticContact CD2-CE1 4Å; Y359-F400 HydrophobicContact CD2-CE1 4Å; Y359-F400 HydrophobicContact CE1-CB 4.01Å; Y359-F400 AromaticContact CE1-CD1 3.83Å; Y359-F400 HydrophobicContact CE1-CD1 3.83Å; Y359-F400 HydrophobicContact CE1-CG 4.44Å; Y359-F400 AromaticContact CE2-CD1 3.74Å; Y359-F400 HydrophobicContact CE2-CD1 3.74Å; Y359-F400 HydrophobicContact CE2-CE1 4.17Å; Y359-F400 AromaticContact CG-CD1 3.8Å; Y359-F400 HydrophobicContact CG-CD1 3.8Å; Y359-F400 HydrophobicContact CG-CE1 4.31Å; Y359-F400 AromaticContact CZ-CD1 3.79Å; K362-F400 HydrophobicContact CB-CD2 4.34Å; K362-F400 HydrophobicContact CB-CG 4.35Å; K362-F400 HydrophobicContact CD-CB 3.72Å; K362-F400 HydrophobicContact CD-CG 4.24Å; I396-F400 HydrophobicContact CG2-CD2 4.1Å; I396-F400 PolarHBondContact O-N 2.59Å; I396-F400 VanDerWaalsContact O-N 3.16Å
401C74.4Confident76.3Confident38 Ų3861.9 Ų61.926%0.25732%0.317SS..  trans-70.5132176.8660000111.9L398 V399 N416L398-C401 WeakPolarHBondContact O-CB 3.41Å; L398-C401 PolarHBondContact O-N 3.45Å; L398-C401 PolarHBondContact O-SG 2.8Å; V399-C401 VanDerWaalsContact C-N 3.31Å; V399-C401 PolarHBondContact O-N 3.31Å; C401-N416 PolarHBondContact O-ND2 2.89Å
402G65.5Low75.6Confident48 Ų4860.4 Ų60.450%0.49531%0.312SS..SBendtrans74.1139.1-172.600000113
403E61.4Low75Confident146 Ų14661.6 Ų61.668%0.68232%0.318SS*.PPolyproline II helixtrans-87.3129.5177.4-55.8-137.2123.100110.2K362 Q412K362-E403 IonicContact NZ-OE1 3.18Å; K362-E403 PolarHBondContact NZ-OE1 3.19Å; E403-Q412 PolarHBondContact O-NE2 3.31Å
404P64.3Low74.5Confident19 Ų1966.1 Ų66.112%0.12334%0.339CS..PPolyproline II helixtrans-86.1122.4-173.533.6-34.6000111.4Y359 D406 K409Y359-P404 HydrophobicContact CD1-CG 3.77Å; Y359-P404 HydrophobicContact CD2-CG 4.25Å; Y359-P404 VanDerWaalsContact CE1-CD 3.48Å; Y359-P404 HydrophobicContact CE1-CG 3.77Å; Y359-P404 HydrophobicContact CE2-CG 4.24Å; Y359-P404 HydrophobicContact CG-CG 4.02Å; P404-D406 PolarHBondContact O-N 3.12Å; P404-K409 HydrophobicContact CB-CB 4.31Å; P404-K409 HydrophobicContact CB-CG 4.05Å; P404-K409 HydrophobicContact CG-CG 4.38Å; P404-K409 WeakPolarHBondContact O-CE 3.41Å
405S61.2Low74.1Confident78 Ų7870.7 Ų70.755%0.54536%0.356SS..PPolyproline II helixtrans-62.6135179.4-170.60000110.7K407 D408 K409 Q412S405-K407 PolarHBondContact O-N 2.83Å; S405-D408 PolarHBondContact O-N 3.17Å; S405-K409 VanDerWaalsContact O-CG 3.28Å; S405-K409 WeakPolarHBondContact O-CG 3.43Å; S405-K409 PolarHBondContact O-N 2.8Å; S405-Q412 VanDerWaalsContact N-OE1 3.1Å
406D60.2Low73.3Confident132 Ų13271.8 Ų71.871%0.70636%0.362SS*.THydrogen-bonded Turntrans-53-26.1-172.8-86.5-55.5000114.9P404 K409P404-D406 PolarHBondContact O-N 3.12Å; D406-K409 VanDerWaalsContact OD1-CE 3.3Å; D406-K409 WeakPolarHBondContact OD1-CE 3.32Å; D406-K409 IonicContact OD1-NZ 3.45Å; D406-K409 PolarHBondContact OD1-NZ 3.2Å
407K57.6Low73.1Confident193 Ų19371.7 Ų71.784%0.83936%0.362SS*.THydrogen-bonded Turntrans-84-15.7-177.4-64.4-173.5177.7-178.50114.8S405S405-K407 PolarHBondContact O-N 2.83Å
408D66.9Low73Confident71 Ų7171.9 Ų71.938%0.3837%0.372SS..THydrogen-bonded Turntrans-141.719.5-171.2-86-59.9000114.9S405 Q410 K411 Q412S405-D408 PolarHBondContact O-N 3.17Å; D408-Q410 VanDerWaalsContact C-N 3.35Å; D408-Q410 PolarHBondContact O-N 3.48Å; D408-Q410 VanDerWaalsContact O-N 3.13Å; D408-K411 PolarHBondContact O-N 2.99Å; D408-K411 VanDerWaalsContact OD1-CD 3.27Å; D408-K411 WeakPolarHBondContact OD1-CD 3.46Å; D408-K411 VanDerWaalsContact OD1-CE 3.27Å; D408-K411 WeakPolarHBondContact OD1-CE 3.36Å; D408-K411 IonicContact OD1-NZ 2.72Å; D408-K411 PolarHBondContact OD1-NZ 3.25Å; D408-Q412 PolarHBondContact O-N 2.78Å
409K70.8Confident73.1Confident87 Ų8772.1 Ų72.138%0.37837%0.372SS..Hα-helixtrans-43.2-52.4-173.8-64.2-172.2150.8158.40114.5P404 S405 D406 K411 Q412 M413P404-K409 HydrophobicContact CB-CB 4.31Å; P404-K409 HydrophobicContact CB-CG 4.05Å; P404-K409 HydrophobicContact CG-CG 4.38Å; P404-K409 WeakPolarHBondContact O-CE 3.41Å; S405-K409 VanDerWaalsContact O-CG 3.28Å; S405-K409 WeakPolarHBondContact O-CG 3.43Å; S405-K409 PolarHBondContact O-N 2.8Å; D406-K409 VanDerWaalsContact OD1-CE 3.3Å; D406-K409 WeakPolarHBondContact OD1-CE 3.32Å; D406-K409 IonicContact OD1-NZ 3.45Å; D406-K409 PolarHBondContact OD1-NZ 3.2Å; K409-K411 PolarHBondContact O-N 2.94Å; K409-Q412 PolarHBondContact O-N 3.43Å; K409-M413 WeakPolarHBondContact O-CB 3.13Å; K409-M413 VanDerWaalsContact O-CG 3.29Å; K409-M413 WeakPolarHBondContact O-CG 3.25Å; K409-M413 PolarHBondContact O-N 2.99Å
410Q74.9Confident73.4Confident103 Ų10372.4 Ų72.448%0.48137%0.373SS..Hα-helixtrans-58.6-47.1179.4-18063.418.500112.5I346 D408 Q412 M413 E414I346-Q410 VanDerWaalsContact CD1-NE2 3.27Å; D408-Q410 VanDerWaalsContact C-N 3.35Å; D408-Q410 PolarHBondContact O-N 3.48Å; D408-Q410 VanDerWaalsContact O-N 3.13Å; Q410-Q412 VanDerWaalsContact C-N 3.31Å; Q410-Q412 PolarHBondContact O-N 2.68Å; Q410-M413 PolarHBondContact O-N 3.36Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.34Å; Q410-E414 PolarHBondContact NE2-OE1 3.29Å; Q410-E414 WeakPolarHBondContact O-CB 3.39Å; Q410-E414 WeakPolarHBondContact O-CG 3.4Å; Q410-E414 PolarHBondContact O-N 3.12Å
411K73.4Confident73.8Confident137 Ų13773 Ų7360%0.59638%0.376SS*.Hα-helixtrans-66.8-34.4180-57.9-176.8-161.51440111.8D408 K409 F415D408-K411 PolarHBondContact O-N 2.99Å; D408-K411 VanDerWaalsContact OD1-CD 3.27Å; D408-K411 WeakPolarHBondContact OD1-CD 3.46Å; D408-K411 VanDerWaalsContact OD1-CE 3.27Å; D408-K411 WeakPolarHBondContact OD1-CE 3.36Å; D408-K411 IonicContact OD1-NZ 2.72Å; D408-K411 PolarHBondContact OD1-NZ 3.25Å; K409-K411 PolarHBondContact O-N 2.94Å; K411-F415 VanDerWaalsContact O-CB 3.31Å; K411-F415 WeakPolarHBondContact O-CB 3.33Å; K411-F415 PolarHBondContact O-N 3.3Å
412Q72.6Confident74.7Confident57 Ų5771.2 Ų71.227%0.26636%0.364SS..Hα-helixtrans-72.5-38.1177.5-164.2173.9-21.400111.6E403 S405 D408 K409 Q410 F415 N416E403-Q412 PolarHBondContact O-NE2 3.31Å; S405-Q412 VanDerWaalsContact N-OE1 3.1Å; D408-Q412 PolarHBondContact O-N 2.78Å; K409-Q412 PolarHBondContact O-N 3.43Å; Q410-Q412 VanDerWaalsContact C-N 3.31Å; Q410-Q412 PolarHBondContact O-N 2.68Å; Q412-F415 PolarHBondContact O-N 2.92Å; Q412-N416 WeakPolarHBondContact O-CB 3.48Å; Q412-N416 VanDerWaalsContact O-CG 3.28Å; Q412-N416 PolarHBondContact O-N 3.04Å; Q412-N416 PolarHBondContact O-OD1 2.86Å
413M76.1Confident76Confident30 Ų3069.2 Ų69.215%0.14834%0.342CS..Hα-helixtrans-65.6-41.1171.2-70.5164.563.900111.9Y349 Y359 K409 Q410 S417Y349-M413 HydrophobicContact CD1-CE 4.02Å; Y349-M413 HydrophobicContact CD2-CB 4.26Å; Y349-M413 HydrophobicContact CD2-CE 3.53Å; Y349-M413 HydrophobicContact CE2-CB 3.84Å; Y349-M413 HydrophobicContact CE2-CE 4.09Å; Y349-M413 HydrophobicContact CE2-CG 4.13Å; Y349-M413 HydrophobicContact CG-CE 3.51Å; Y359-M413 HydrophobicContact CD2-SD 4.31Å; Y359-M413 HydrophobicContact CE2-CE 4.23Å; Y359-M413 HydrophobicContact CE2-CG 3.81Å; Y359-M413 HydrophobicContact CE2-SD 3.82Å; K409-M413 WeakPolarHBondContact O-CB 3.13Å; K409-M413 VanDerWaalsContact O-CG 3.29Å; K409-M413 WeakPolarHBondContact O-CG 3.25Å; K409-M413 PolarHBondContact O-N 2.99Å; Q410-M413 PolarHBondContact O-N 3.36Å; M413-S417 VanDerWaalsContact O-CB 3.27Å; M413-S417 WeakPolarHBondContact O-CB 3.38Å; M413-S417 PolarHBondContact O-N 3.4Å; M413-S417 PolarHBondContact O-OG 3.4Å
414E78.9Confident77.5Confident95 Ų9562.3 Ų62.344%0.44431%0.31SS..Hα-helixtrans-61.1-45.9171.3-77.2172.4-164.500111.7I346 Q410 S417 A418I346-E414 HydrophobicContact CD1-CG 3.65Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.34Å; Q410-E414 PolarHBondContact NE2-OE1 3.29Å; Q410-E414 WeakPolarHBondContact O-CB 3.39Å; Q410-E414 WeakPolarHBondContact O-CG 3.4Å; Q410-E414 PolarHBondContact O-N 3.12Å; E414-S417 PolarHBondContact O-N 3.28Å; E414-S417 PolarHBondContact O-OG 2.84Å; E414-A418 WeakPolarHBondContact O-CA 3.49Å; E414-A418 WeakPolarHBondContact O-CB 3.42Å; E414-A418 PolarHBondContact O-N 3.44Å
415F76Confident78.7Confident149 Ų14963.7 Ų63.765%0.65431%0.314SS*.Hα-helixtrans-62.7-49.5178.5-177.6-94.2000112.2K411 Q412 S417 A418K411-F415 VanDerWaalsContact O-CB 3.31Å; K411-F415 WeakPolarHBondContact O-CB 3.33Å; K411-F415 PolarHBondContact O-N 3.3Å; Q412-F415 PolarHBondContact O-N 2.92Å; F415-S417 VanDerWaalsContact C-N 3.33Å; F415-S417 PolarHBondContact O-N 3.38Å; F415-A418 WeakPolarHBondContact O-CB 3.44Å; F415-A418 PolarHBondContact O-N 3.33Å
416N75.3Confident79.8Confident25 Ų2562.5 Ų62.513%0.13430%0.301CS..Hα-helixtrans-61.6-41.5179-72.85.4000111.4C401 Q412 F420C401-N416 PolarHBondContact O-ND2 2.89Å; Q412-N416 WeakPolarHBondContact O-CB 3.48Å; Q412-N416 VanDerWaalsContact O-CG 3.28Å; Q412-N416 PolarHBondContact O-N 3.04Å; Q412-N416 PolarHBondContact O-OD1 2.86Å; N416-F420 VanDerWaalsContact O-CD2 3.32Å; N416-F420 WeakPolarHBondContact O-CD2 3.3Å; N416-F420 WeakPolarHBondContact O-CE2 3.5Å
417S83.4Confident80.8Confident4 Ų457.2 Ų57.23%0.02827%0.273CS..Hα-helixtrans-85.5-8.5-179.1680000114.8I346 M413 E414 F415 H419 F420I346-S417 WeakPolarHBondContact CA-OG 3.33Å; I346-S417 WeakPolarHBondContact CB-OG 3.48Å; I346-S417 PolarHBondContact N-OG 3.29Å; M413-S417 VanDerWaalsContact O-CB 3.27Å; M413-S417 WeakPolarHBondContact O-CB 3.38Å; M413-S417 PolarHBondContact O-N 3.4Å; M413-S417 PolarHBondContact O-OG 3.4Å; E414-S417 PolarHBondContact O-N 3.28Å; E414-S417 PolarHBondContact O-OG 2.84Å; F415-S417 VanDerWaalsContact C-N 3.33Å; F415-S417 PolarHBondContact O-N 3.38Å; S417-H419 PolarHBondContact O-N 2.82Å; S417-F420 PolarHBondContact O-N 3.21Å
418A84.3Confident81.2Confident52 Ų5251.5 Ų51.543%0.4325%0.252SS..THydrogen-bonded Turntrans-63.4-7.7-179.100000114.7E414 F415E414-A418 WeakPolarHBondContact O-CA 3.49Å; E414-A418 WeakPolarHBondContact O-CB 3.42Å; E414-A418 PolarHBondContact O-N 3.44Å; F415-A418 WeakPolarHBondContact O-CB 3.44Å; F415-A418 PolarHBondContact O-N 3.33Å
419H88.3Confident80.9Confident34 Ų3450.8 Ų50.816%0.15725%0.253CS..THydrogen-bonded Turntrans-1061.7178.3-68.612000113S417 F459 S460 R494S417-H419 PolarHBondContact O-N 2.82Å; H419-F459 PolarHBondContact O-N 3.43Å; H419-S460 PolarHBondContact CD2-OG 3.37Å; H419-R494 PolarHBondContact CE1-NH1 3.14Å; H419-R494 PolarHBondContact ND1-NH1 2.71Å; H419-R494 PolarHBondContact NE2-NH1 2.92Å; H419-R494 VanDerWaalsContact NE2-NH1 3.12Å
420F91.6Very high79.8Confident6 Ų654.2 Ų54.23%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-120.7158-172.2-60.1-105.3000112T263 G345 L398 N416 S417 Y456 W457 C458 F463T263-F420 VanDerWaalsContact O-CE1 3.28Å; T263-F420 WeakPolarHBondContact O-CE1 3.34Å; G345-F420 WeakPolarHBondContact CA-O 3.09Å; G345-F420 PolarHBondContact N-O 3.45Å; L398-F420 HydrophobicContact CD2-CE1 4.48Å; N416-F420 VanDerWaalsContact O-CD2 3.32Å; N416-F420 WeakPolarHBondContact O-CD2 3.3Å; N416-F420 WeakPolarHBondContact O-CE2 3.5Å; S417-F420 PolarHBondContact O-N 3.21Å; F420-Y456 HydrophobicContact CB-CD2 4.27Å; F420-Y456 HydrophobicContact CB-CE1 4.19Å; F420-Y456 HydrophobicContact CB-CE2 3.56Å; F420-Y456 AromaticContact CD1-CD1 3.66Å; F420-Y456 HydrophobicContact CD1-CD1 3.66Å; F420-Y456 HydrophobicContact CD1-CD2 4.5Å; F420-Y456 AromaticContact CD1-CE1 3.17Å; F420-Y456 HydrophobicContact CD1-CE1 3.17Å; F420-Y456 HydrophobicContact CD1-CE2 4.11Å; F420-Y456 HydrophobicContact CD1-CG 4.32Å; F420-Y456 AromaticContact CD1-CZ 3.43Å; F420-Y456 VanDerWaalsContact CD1-CZ 3.43Å; F420-Y456 HydrophobicContact CE1-CD1 4.05Å; F420-Y456 AromaticContact CE1-CE1 3.5Å; F420-Y456 HydrophobicContact CE1-CE1 3.5Å; F420-Y456 VanDerWaalsContact CE1-CE1 3.5Å; F420-Y456 AromaticContact CG-CE1 3.75Å; F420-Y456 HydrophobicContact CG-CE1 3.75Å; F420-Y456 HydrophobicContact CG-CE2 4.05Å; F420-Y456 AromaticContact CG-CZ 3.47Å; F420-Y456 VanDerWaalsContact CG-CZ 3.47Å; F420-Y456 WeakPolarHBondContact CG-OH 3.4Å; F420-Y456 HydrophobicContact CZ-CE1 4.34Å; F420-W457 VanDerWaalsContact CA-O 3.25Å; F420-W457 WeakPolarHBondContact CA-O 3.15Å; F420-C458 HydrophobicContact CD1-CB 3.81Å; F420-C458 HydrophobicContact CE1-CB 3.64Å; F420-C458 HydrophobicContact CG-CB 4.48Å; F420-C458 HydrophobicContact CZ-CB 4.14Å; F420-F463 HydrophobicContact CE2-CD2 4.17Å; F420-F463 HydrophobicContact CE2-CE1 4.44Å; F420-F463 HydrophobicContact CE2-CE2 4.02Å; F420-F463 HydrophobicContact CE2-CG 4.44Å; F420-F463 HydrophobicContact CE2-CZ 4.16Å; F420-F463 HydrophobicContact CZ-CD1 4.2Å; F420-F463 AromaticContact CZ-CE1 3.98Å; F420-F463 HydrophobicContact CZ-CE1 3.98Å; F420-F463 HydrophobicContact CZ-CE2 4.37Å; F420-F463 HydrophobicContact CZ-CG 4.49Å; F420-F463 HydrophobicContact CZ-CZ 4.07Å
421K92.9Very high78.1Confident29 Ų2955.1 Ų55.113%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-130.4144.4165-57.4-77.9176.31630108.4T342 W457 F459 E666T342-K421 HydrophobicContact CG2-CB 4.37Å; K421-W457 PolarHBondContact N-O 3.08Å; K421-W457 PolarHBondContact O-N 3.04Å; K421-W457 VanDerWaalsContact O-N 3.08Å; K421-F459 HydrophobicContact CB-CD2 4.44Å; K421-F459 HydrophobicContact CB-CE2 4Å; K421-F459 HydrophobicContact CG-CD2 3.9Å; K421-F459 HydrophobicContact CG-CE2 3.78Å; K421-E666 IonicContact NZ-OE1 3.29Å; K421-E666 PolarHBondContact NZ-OE1 3.42Å; K421-E666 IonicContact NZ-OE2 3.91Å; K421-E666 PolarHBondContact NZ-OE2 3.44Å
422V93.4Very high76.5Confident1 Ų157.9 Ų57.91%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-92.6131.5167.2-178.10000107.7T342 K343 F347 I348 I424 L454 S455 Y456T342-V422 CarbonylContact C-O 3.57Å; T342-V422 WeakPolarHBondContact CA-O 3.19Å; T342-V422 WeakPolarHBondContact CG2-O 3.27Å; K343-V422 HydrophobicContact CB-CB 4.34Å; K343-V422 PolarHBondContact N-O 3.47Å; K343-V422 PolarHBondContact O-N 3.45Å; F347-V422 HydrophobicContact CB-CG2 4.43Å; F347-V422 HydrophobicContact CD1-CB 4Å; F347-V422 HydrophobicContact CD1-CG1 3.89Å; F347-V422 HydrophobicContact CD1-CG2 4.11Å; F347-V422 HydrophobicContact CE1-CG1 4.22Å; I348-V422 HydrophobicContact CB-CG2 3.93Å; I348-V422 HydrophobicContact CD1-CG2 4.47Å; V422-I424 HydrophobicContact CG1-CG1 4.31Å; V422-L454 HydrophobicContact CG1-CD1 3.62Å; V422-S455 WeakPolarHBondContact CA-O 3.31Å; V422-Y456 HydrophobicContact CG2-CD2 3.81Å; V422-Y456 HydrophobicContact CG2-CE2 4.12Å
423H93.2Very high74.9Confident5 Ų561.6 Ų61.62%0.02330%0.296CS..EExtended strand (participates in β ladder)trans-128.3131.8175.2-171.162000109.1G340 I341 T342 H425 S455 W457 P655 L659G340-H423 PolarHBondContact O-CE1 2.56Å; G340-H423 VanDerWaalsContact O-CE1 3.32Å; I341-H423 CarbonylContact O-C 3.49Å; I341-H423 WeakPolarHBondContact O-CA 3.27Å; I341-H423 PolarHBondContact O-ND1 3.39Å; I341-H423 VanDerWaalsContact O-ND1 3.14Å; T342-H423 PolarHBondContact OG1-ND1 3.19Å; H423-H425 AromaticContact CD2-CD2 3.74Å; H423-S455 PolarHBondContact N-O 3.04Å; H423-S455 WeakPolarHBondContact O-CB 3.45Å; H423-S455 PolarHBondContact O-N 3.5Å; H423-W457 HydrophobicContact CB-CE3 4.29Å; H423-W457 HydrophobicContact CB-CZ3 4.07Å; H423-W457 AromaticContact CD2-CH2 3.65Å; H423-W457 AromaticContact CD2-CZ3 3.74Å; H423-P655 WeakPolarHBondContact NE2-CB 3.48Å; H423-L659 HydrophobicContact CB-CD1 4.25Å
424I91.6Very high72.9Confident2 Ų268.7 Ų68.71%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-123.1123179.4-56.2-180000108.1Y333 V335 G340 I341 F347 L351 V422 N452 V453 L454Y333-I424 HydrophobicContact CD2-CD1 3.9Å; Y333-I424 HydrophobicContact CE2-CD1 4.46Å; Y333-I424 HydrophobicContact CG-CD1 4.26Å; V335-I424 HydrophobicContact CG2-CG2 4.13Å; G340-I424 CarbonylContact C-O 3.34Å; G340-I424 WeakPolarHBondContact CA-O 3.43Å; I341-I424 PolarHBondContact N-O 3.28Å; I341-I424 PolarHBondContact O-N 2.95Å; F347-I424 HydrophobicContact CE1-CD1 4.27Å; L351-I424 HydrophobicContact CD1-CD1 3.93Å; V422-I424 HydrophobicContact CG1-CG1 4.31Å; I424-N452 HydrophobicContact CG2-CB 3.78Å; I424-V453 WeakPolarHBondContact CA-O 3.33Å; I424-L454 HydrophobicContact CD1-CD1 4.25Å; I424-L454 HydrophobicContact CG1-CD1 3.91Å
425H89.5Confident70.7Confident48 Ų4872.8 Ų72.822%0.22235%0.345CS..EExtended strand (participates in β ladder)trans-142.3152.7-179.570.677.6000112.2H423 V453H423-H425 AromaticContact CD2-CD2 3.74Å; H425-V453 PolarHBondContact N-O 3.04Å; H425-V453 PolarHBondContact O-N 3.01Å
426L86.1Confident68.4Low52 Ų5270 Ų7027%0.27234%0.34SS..EExtended strand (participates in β ladder)trans-58.1142.4173.1-65.6168.3000111V335 N428 Q450V335-L426 HydrophobicContact CB-CG 4.08Å; V335-L426 HydrophobicContact CG1-CD1 4.48Å; V335-L426 HydrophobicContact CG1-CG 4.08Å; L426-N428 PolarHBondContact O-N 3.23Å; L426-Q450 WeakPolarHBondContact CD2-O 3.19Å
427D80Confident66.4Low22 Ų2274.3 Ų74.312%0.11837%0.369CS..  trans-70.997.5177.3-176.618.4000112.4S429 Q450 G451 V453D427-S429 PolarHBondContact O-N 3.25Å; D427-S429 WeakPolarHBondContact OD1-CB 3.48Å; D427-S429 PolarHBondContact OD1-N 2.9Å; D427-S429 PolarHBondContact OD1-OG 2.7Å; D427-S429 WeakPolarHBondContact OD2-CB 3.13Å; D427-S429 PolarHBondContact OD2-OG 3.23Å; D427-Q450 PolarHBondContact O-NE2 3.33Å; D427-G451 PolarHBondContact N-O 3.25Å; D427-G451 VanDerWaalsContact N-O 3.14Å; D427-V453 HydrophobicContact CB-CG2 3.78Å
428N67.1Low63.9Low72 Ų7280.9 Ų80.939%0.38540%0.404SS..THydrogen-bonded Turntrans-77.35.3175-78.2-27.1000114.2L426 Y430 Q431L426-N428 PolarHBondContact O-N 3.23Å; N428-Y430 PolarHBondContact O-N 3.02Å; N428-Q431 PolarHBondContact O-N 3.46Å; N428-Q431 PolarHBondContact OD1-NE2 3.44Å
429S59.9Low61.6Low57 Ų5786.2 Ų86.240%0.39943%0.425SS..Hα-helixtrans-56.3-41.4171.680.20000111.5D427 Q431 K432D427-S429 PolarHBondContact O-N 3.25Å; D427-S429 WeakPolarHBondContact OD1-CB 3.48Å; D427-S429 PolarHBondContact OD1-N 2.9Å; D427-S429 PolarHBondContact OD1-OG 2.7Å; D427-S429 WeakPolarHBondContact OD2-CB 3.13Å; D427-S429 PolarHBondContact OD2-OG 3.23Å; S429-Q431 VanDerWaalsContact C-N 3.32Å; S429-Q431 PolarHBondContact O-N 3.18Å; S429-K432 PolarHBondContact O-N 2.87Å; S429-K432 VanDerWaalsContact O-N 3.13Å
430Y46.6Very low59Low158 Ų15896.8 Ų96.862%0.6246%0.463SS*.Hα-helixtrans-61.9-34.5179-76.4-84000113.5N428 K432 K433 K434N428-Y430 PolarHBondContact O-N 3.02Å; Y430-K432 PolarHBondContact O-N 3.06Å; Y430-K433 PolarHBondContact O-N 3.38Å; Y430-K433 VanDerWaalsContact O-N 3.11Å; Y430-K434 PolarHBondContact O-N 2.82Å
431Q40Very low56.1Low122 Ų122101.9 Ų101.957%0.5750%0.5SS*.Hα-helixtrans-63.9-31.2177.7-66.7-166.9-0.400112N428 S429 K433 K434N428-Q431 PolarHBondContact O-N 3.46Å; N428-Q431 PolarHBondContact OD1-NE2 3.44Å; S429-Q431 VanDerWaalsContact C-N 3.32Å; S429-Q431 PolarHBondContact O-N 3.18Å; Q431-K433 VanDerWaalsContact C-N 3.33Å; Q431-K433 PolarHBondContact O-N 2.94Å; Q431-K434 PolarHBondContact O-N 3.36Å
432K40Very low53.1Low195 Ų195104.4 Ų104.485%0.84853%0.526SS*.Hα-helixtrans-73-21175.5-69177.7-179.7167.90113.9S429 Y430S429-K432 PolarHBondContact O-N 2.87Å; S429-K432 VanDerWaalsContact O-N 3.13Å; Y430-K432 PolarHBondContact O-N 3.06Å
433K39.6Very low50.2Low136 Ų136110.2 Ų110.259%0.59156%0.564SS**Hα-helixtrans-91.7-6.5173.6-77.3-168.9170.4-171.90113.3Y430 Q431 Q435Y430-K433 PolarHBondContact O-N 3.38Å; Y430-K433 VanDerWaalsContact O-N 3.11Å; Q431-K433 VanDerWaalsContact C-N 3.33Å; Q431-K433 PolarHBondContact O-N 2.94Å; K433-Q435 VanDerWaalsContact C-N 3.27Å; K433-Q435 PolarHBondContact O-N 3.29Å
434K34.2Very low47.1Very low179 Ų179114.9 Ų114.978%0.77860%0.597SS**THydrogen-bonded Turntrans-83.939.8-168.8-142.5174.6-172.5179.30115.4Y430 Q431Y430-K434 PolarHBondContact O-N 2.82Å; Q431-K434 PolarHBondContact O-N 3.36Å
435Q31.8Very low44.3Very low181 Ų181121.9 Ų121.985%0.84664%0.64SS**THydrogen-bonded Turntrans-123.619.9174.4-81.1-162.7-17.500114.3K433K433-Q435 VanDerWaalsContact C-N 3.27Å; K433-Q435 PolarHBondContact O-N 3.29Å
436T26.9Very low41.7Very low91 Ų91123.6 Ų123.656%0.55866%0.657SS**  trans-126108.6171.147.60000110.5D438T436-D438 PolarHBondContact O-N 2.95Å
437P34.8Very low39.2Very low114 Ų114126.7 Ų126.774%0.7468%0.684SS**  trans-90.783.6179.934.7-32.4000111.6L439P437-L439 PolarHBondContact O-N 3.45Å
438D30.9Very low37.6Very low143 Ų143134.9 Ų134.977%0.76572%0.718SS**  trans-73.496.3177.3-86.1-35.9000112.4T436 W440T436-D438 PolarHBondContact O-N 2.95Å; D438-W440 PolarHBondContact O-N 3.48Å
439L34.3Very low37Very low163 Ų163140 Ų14085%0.85374%0.737SS**THydrogen-bonded Turntrans-69.749.6177.8-92.5151.7000114.1P437P437-L439 PolarHBondContact O-N 3.45Å
440W35.1Very low37.3Very low256 Ų256141.3 Ų141.397%0.9774%0.737SS**THydrogen-bonded Turntrans-149.58.3168.2-102.5-43.5000118.2D438 A442D438-W440 PolarHBondContact O-N 3.48Å; W440-A442 PolarHBondContact O-N 3.37Å
441S30.1Very low38.9Very low114 Ų114134.3 Ų134.380%0.79771%0.712SS**  trans-83.2109.3166.3-67.30000110.9
442A30Very low41.2Very low82 Ų82128.8 Ų128.868%0.67869%0.687SS**  trans-58.7144.2169.100000110.5W440 S444W440-A442 PolarHBondContact O-N 3.37Å; A442-S444 PolarHBondContact O-N 2.97Å
443P31.6Very low43.7Very low122 Ų122119.8 Ų119.879%0.79265%0.648SS**  trans-7389.9-170.729.5-35.6000111.6T445P443-T445 PolarHBondContact O-N 3.11Å
444S29.4Very low46.2Very low104 Ų104113.3 Ų113.373%0.72762%0.62SS**  trans-68.4115.4166.243.40000109.2A442 S446A442-S444 PolarHBondContact O-N 2.97Å; S444-S446 PolarHBondContact O-N 3.04Å
445T33.1Very low49.1Very low149 Ų149104.8 Ų104.891%0.91458%0.583SS**SBendtrans-76.462.2-171.841.40000112.9P443P443-T445 PolarHBondContact O-N 3.11Å
446S33.4Very low52Low83 Ų8396.4 Ų96.458%0.5854%0.544SS*.  trans-138.5118.1164.660.80000110.1S444 K448S444-S446 PolarHBondContact O-N 3.04Å; S446-K448 PolarHBondContact O-N 3.43Å
447S34Very low55.3Low118 Ų11892.8 Ų92.883%0.82552%0.52SS*.  trans-70.993.2172.642.20000109.2K449S447-K449 PolarHBondContact O-N 3.11Å
448K47.3Very low58Low194 Ų19487.4 Ų87.484%0.84349%0.485SS*.  trans-56.4107.8168.2-71.6-171.4176.2-175.10108.4S446S446-K448 PolarHBondContact O-N 3.43Å
449K53.7Low60.9Low180 Ų18080.6 Ų80.678%0.78345%0.449SS*.  trans-57.2139.7177.2-70.4-173.7175.7-176.30109.1S447 G451S447-K449 PolarHBondContact O-N 3.11Å; K449-G451 PolarHBondContact O-N 2.99Å
450Q67.2Low63.6Low83 Ų8372.9 Ų72.939%0.38841%0.408SS..  trans-82.292.5172.6-173.4176.1-7.400107.3L426 D427L426-Q450 WeakPolarHBondContact CD2-O 3.19Å; D427-Q450 PolarHBondContact O-NE2 3.33Å
451G79.1Confident66.2Low11 Ų1160.7 Ų60.711%0.11336%0.362CS..PPolyproline II helixtrans-61.8160.4-172.500000114.4D331 D427 K449D331-G451 WeakPolarHBondContact OD1-CA 3.39Å; D427-G451 PolarHBondContact N-O 3.25Å; D427-G451 VanDerWaalsContact N-O 3.14Å; K449-G451 PolarHBondContact O-N 2.99Å
452N89.3Confident68.9Low7 Ų755.5 Ų55.54%0.03733%0.327CS..EExtended strand (participates in β ladder)trans-82.5138.9-179.5-80.8-24.3000112.2P269 I330 D331 Y333 V335 I424P269-N452 WeakPolarHBondContact CD-O 3.44Å; P269-N452 WeakPolarHBondContact CG-O 3.45Å; I330-N452 HydrophobicContact CG2-CB 3.64Å; I330-N452 PolarHBondContact O-ND2 3.32Å; D331-N452 PolarHBondContact OD1-N 3.05Å; Y333-N452 PolarHBondContact O-ND2 2.74Å; V335-N452 VanDerWaalsContact CG2-OD1 3.3Å; V335-N452 WeakPolarHBondContact CG2-OD1 3.43Å; I424-N452 HydrophobicContact CG2-CB 3.78Å
453V91.1Very high71.7Confident5 Ų553.9 Ų53.93%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-88.5129.3165.9-178.50000108.6T268 I424 H425 D427T268-V453 HydrophobicContact CG2-CG1 4.28Å; T268-V453 HydrophobicContact CG2-CG2 4.37Å; I424-V453 WeakPolarHBondContact CA-O 3.33Å; H425-V453 PolarHBondContact N-O 3.04Å; H425-V453 PolarHBondContact O-N 3.01Å; D427-V453 HydrophobicContact CB-CG2 3.78Å
454L93.2Very high74.4Confident0 Ų048.3 Ų48.30%027%0.268CS..EExtended strand (participates in β ladder)trans-98.3114171.5174.466.7000109.9L267 I330 I348 L351 V422 I424L267-L454 HydrophobicContact CB-CB 4.38Å; L267-L454 HydrophobicContact CD2-CD2 4.41Å; L267-L454 PolarHBondContact N-O 2.7Å; L267-L454 PolarHBondContact O-N 2.72Å; I330-L454 HydrophobicContact CD1-CB 3.87Å; I330-L454 HydrophobicContact CD1-CD2 3.72Å; I330-L454 HydrophobicContact CD1-CG 4.42Å; I330-L454 HydrophobicContact CG1-CB 4.18Å; I330-L454 HydrophobicContact CG1-CD2 4.05Å; I330-L454 HydrophobicContact CG2-CB 4.32Å; I348-L454 HydrophobicContact CD1-CD2 4.25Å; L351-L454 HydrophobicContact CD1-CD1 4.1Å; L351-L454 HydrophobicContact CD2-CD2 3.74Å; V422-L454 HydrophobicContact CG1-CD1 3.62Å; I424-L454 HydrophobicContact CD1-CD1 4.25Å; I424-L454 HydrophobicContact CG1-CD1 3.91Å
455S94.3Very high77.3Confident1 Ų143.3 Ų43.31%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-108.6129.3176.7-72.40000111.2D266 V422 H423 W457D266-S455 VanDerWaalsContact OD1-CB 3.28Å; D266-S455 WeakPolarHBondContact OD1-CB 3.34Å; D266-S455 PolarHBondContact OD1-OG 3.25Å; V422-S455 WeakPolarHBondContact CA-O 3.31Å; H423-S455 PolarHBondContact N-O 3.04Å; H423-S455 WeakPolarHBondContact O-CB 3.45Å; H423-S455 PolarHBondContact O-N 3.5Å; S455-W457 VanDerWaalsContact CB-CE2 3.5Å; S455-W457 WeakPolarHBondContact OG-CZ2 3.17Å
456Y94.1Very high79.9Confident4 Ų440.1 Ų40.12%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-118.4107.5170.2-170.7-120.5000108.5S264 F265 I348 L398 V399 F420 V422S264-Y456 VanDerWaalsContact CA-O 3.26Å; S264-Y456 WeakPolarHBondContact CA-O 3.37Å; F265-Y456 HydrophobicContact CD1-CD1 4.25Å; F265-Y456 VanDerWaalsContact CE1-CB 3.47Å; F265-Y456 AromaticContact CE1-CD1 3.58Å; F265-Y456 HydrophobicContact CE1-CD1 3.58Å; F265-Y456 AromaticContact CE1-CG 3.89Å; F265-Y456 HydrophobicContact CE1-CG 3.89Å; F265-Y456 HydrophobicContact CZ-CD1 4.18Å; F265-Y456 HydrophobicContact CZ-CG 4.04Å; F265-Y456 PolarHBondContact N-O 3.47Å; F265-Y456 PolarHBondContact O-N 3.49Å; I348-Y456 HydrophobicContact CB-CD2 4.16Å; I348-Y456 HydrophobicContact CB-CE2 3.89Å; I348-Y456 HydrophobicContact CD1-CD2 4.47Å; I348-Y456 HydrophobicContact CG1-CD2 4.24Å; I348-Y456 HydrophobicContact CG1-CE2 4.31Å; I348-Y456 HydrophobicContact CG2-CE2 3.82Å; L398-Y456 HydrophobicContact CD2-CD1 4.26Å; V399-Y456 HydrophobicContact CG2-CD1 4.24Å; V399-Y456 HydrophobicContact CG2-CE1 4.11Å; F420-Y456 HydrophobicContact CB-CD2 4.27Å; F420-Y456 HydrophobicContact CB-CE1 4.19Å; F420-Y456 HydrophobicContact CB-CE2 3.56Å; F420-Y456 AromaticContact CD1-CD1 3.66Å; F420-Y456 HydrophobicContact CD1-CD1 3.66Å; F420-Y456 HydrophobicContact CD1-CD2 4.5Å; F420-Y456 AromaticContact CD1-CE1 3.17Å; F420-Y456 HydrophobicContact CD1-CE1 3.17Å; F420-Y456 HydrophobicContact CD1-CE2 4.11Å; F420-Y456 HydrophobicContact CD1-CG 4.32Å; F420-Y456 AromaticContact CD1-CZ 3.43Å; F420-Y456 VanDerWaalsContact CD1-CZ 3.43Å; F420-Y456 HydrophobicContact CE1-CD1 4.05Å; F420-Y456 AromaticContact CE1-CE1 3.5Å; F420-Y456 HydrophobicContact CE1-CE1 3.5Å; F420-Y456 VanDerWaalsContact CE1-CE1 3.5Å; F420-Y456 AromaticContact CG-CE1 3.75Å; F420-Y456 HydrophobicContact CG-CE1 3.75Å; F420-Y456 HydrophobicContact CG-CE2 4.05Å; F420-Y456 AromaticContact CG-CZ 3.47Å; F420-Y456 VanDerWaalsContact CG-CZ 3.47Å; F420-Y456 WeakPolarHBondContact CG-OH 3.4Å; F420-Y456 HydrophobicContact CZ-CE1 4.34Å; V422-Y456 HydrophobicContact CG2-CD2 3.81Å; V422-Y456 HydrophobicContact CG2-CE2 4.12Å
457W94.6Very high82.5Confident16 Ų1638.5 Ų38.56%0.06119%0.193CC..EExtended strand (participates in β ladder)trans-114.8121.8-169.9-66.3-21000111.6D266 F420 K421 H423 S455 F459 P655 R656 L659D266-W457 PolarHBondContact OD1-NE1 2.88Å; F420-W457 VanDerWaalsContact CA-O 3.25Å; F420-W457 WeakPolarHBondContact CA-O 3.15Å; K421-W457 PolarHBondContact N-O 3.08Å; K421-W457 PolarHBondContact O-N 3.04Å; K421-W457 VanDerWaalsContact O-N 3.08Å; H423-W457 HydrophobicContact CB-CE3 4.29Å; H423-W457 HydrophobicContact CB-CZ3 4.07Å; H423-W457 AromaticContact CD2-CH2 3.65Å; H423-W457 AromaticContact CD2-CZ3 3.74Å; S455-W457 VanDerWaalsContact CB-CE2 3.5Å; S455-W457 WeakPolarHBondContact OG-CZ2 3.17Å; W457-F459 HydrophobicContact CB-CE1 4.28Å; W457-F459 HydrophobicContact CB-CE2 4.1Å; W457-F459 HydrophobicContact CB-CZ 3.88Å; W457-F459 HydrophobicContact CD2-CZ 4.45Å; W457-F459 AromaticContact CE3-CZ 3.83Å; W457-F459 HydrophobicContact CE3-CZ 3.83Å; W457-P655 HydrophobicContact CH2-CB 4.34Å; W457-P655 HydrophobicContact CZ3-CB 4.24Å; W457-R656 HydrophobicContact CD2-CG 4.16Å; W457-R656 HydrophobicContact CE3-CB 4.1Å; W457-R656 HydrophobicContact CE3-CG 4.05Å; W457-R656 HydrophobicContact CH2-CB 4.03Å; W457-R656 HydrophobicContact CZ2-CB 4.47Å; W457-R656 HydrophobicContact CZ3-CB 3.83Å; W457-R656 HydrophobicContact CZ3-CG 4.3Å; W457-L659 HydrophobicContact CE3-CD1 4.23Å; W457-L659 HydrophobicContact CZ3-CD1 4.13Å
458C92.6Very high85.1Confident0 Ų032.9 Ų32.90%015%0.153CC..EExtended strand (participates in β ladder)trans-79.2134.2165.4-175.20000110.1T263 S264 F420 S460T263-C458 VanDerWaalsContact O-CB 3.24Å; T263-C458 WeakPolarHBondContact O-CB 3.28Å; T263-C458 VanDerWaalsContact OG1-CB 3.25Å; T263-C458 WeakPolarHBondContact OG1-CB 3.39Å; T263-C458 PolarHBondContact OG1-SG 3.44Å; S264-C458 PolarHBondContact OG-N 2.7Å; F420-C458 HydrophobicContact CD1-CB 3.81Å; F420-C458 HydrophobicContact CE1-CB 3.64Å; F420-C458 HydrophobicContact CG-CB 4.48Å; F420-C458 HydrophobicContact CZ-CB 4.14Å; C458-S460 PolarHBondContact SG-O 3.13Å
459F91.9Very high87.1Confident1 Ų126 Ų260%0.00413%0.127CC..  trans-117.414179.8-69.5-56.1000113.7H419 K421 W457 R656 L659 K660 F663H419-F459 PolarHBondContact O-N 3.43Å; K421-F459 HydrophobicContact CB-CD2 4.44Å; K421-F459 HydrophobicContact CB-CE2 4Å; K421-F459 HydrophobicContact CG-CD2 3.9Å; K421-F459 HydrophobicContact CG-CE2 3.78Å; W457-F459 HydrophobicContact CB-CE1 4.28Å; W457-F459 HydrophobicContact CB-CE2 4.1Å; W457-F459 HydrophobicContact CB-CZ 3.88Å; W457-F459 HydrophobicContact CD2-CZ 4.45Å; W457-F459 AromaticContact CE3-CZ 3.83Å; W457-F459 HydrophobicContact CE3-CZ 3.83Å; F459-R656 HydrophobicContact CE1-CG 3.8Å; F459-R656 WeakPolarHBondContact CE1-O 3.48Å; F459-R656 HydrophobicContact CZ-CG 4.29Å; F459-L659 HydrophobicContact CE2-CB 3.63Å; F459-L659 HydrophobicContact CZ-CB 3.54Å; F459-K660 HydrophobicContact CB-CD 3.94Å; F459-K660 HydrophobicContact CD1-CB 3.64Å; F459-K660 HydrophobicContact CD1-CD 3.8Å; F459-K660 HydrophobicContact CD1-CG 4.22Å; F459-K660 HydrophobicContact CE1-CB 3.74Å; F459-K660 HydrophobicContact CG-CB 4.41Å; F459-K660 HydrophobicContact CG-CD 4.24Å; F459-K660 PolarHBondContact O-NZ 3.08Å; F459-F663 HydrophobicContact CB-CB 4.12Å; F459-F663 HydrophobicContact CB-CD1 3.38Å; F459-F663 HydrophobicContact CB-CD2 4.37Å; F459-F663 HydrophobicContact CB-CE1 3.76Å; F459-F663 HydrophobicContact CB-CG 3.7Å; F459-F663 HydrophobicContact CB-CZ 4.4Å; F459-F663 HydrophobicContact CD2-CB 4.28Å; F459-F663 HydrophobicContact CD2-CG 4.47Å; F459-F663 HydrophobicContact CG-CB 4.44Å; F459-F663 HydrophobicContact CG-CD1 4.5Å; F459-F663 HydrophobicContact CG-CG 4.46Å; F459-F663 WeakPolarHBondContact O-CD1 3.37Å; F459-F663 WeakPolarHBondContact O-CE1 3.42Å
460S90.1Very high88.7Confident1 Ų122.5 Ų22.51%0.00712%0.118CC..  trans-135.8101.6-177.1172.30000111H419 C458 G462 F463 R494H419-S460 PolarHBondContact CD2-OG 3.37Å; C458-S460 PolarHBondContact SG-O 3.13Å; S460-G462 PolarHBondContact O-N 2.86Å; S460-F463 WeakPolarHBondContact O-CB 3.49Å; S460-F463 PolarHBondContact O-N 3.4Å; S460-R494 WeakPolarHBondContact OG-CD 3.46Å; S460-R494 PolarHBondContact OG-NE 2.79Å; S460-R494 PolarHBondContact OG-NH1 3.38Å
461P89.8Confident89.7Confident0 Ų021.9 Ų21.90%012%0.115CC..THydrogen-bonded Turntrans-62-21.3176.926.9-34.5000112.6E256 C259 F463 S464 M465 E492 M493E256-P461 HydrophobicContact CB-CG 4.4Å; E256-P461 WeakPolarHBondContact O-CB 3.4Å; C259-P461 HydrophobicContact CB-CB 3.45Å; C259-P461 VanDerWaalsContact CB-CB 3.45Å; P461-F463 PolarHBondContact O-N 3.36Å; P461-F463 VanDerWaalsContact O-N 3.09Å; P461-S464 PolarHBondContact O-N 3.24Å; P461-M465 WeakPolarHBondContact O-CG 3.48Å; P461-M465 PolarHBondContact O-N 2.65Å; P461-M465 VanDerWaalsContact O-N 3.07Å; P461-E492 HydrophobicContact CG-CG 3.88Å; P461-E492 WeakPolarHBondContact CG-O 3.48Å; P461-M493 HydrophobicContact CB-SD 4.13Å; P461-M493 HydrophobicContact CG-SD 4.18Å
462G87.9Confident90.1Very high5 Ų527.6 Ų27.65%0.05214%0.138CC..Hα-helixtrans-55.4-18.4169.900000115.9S460 Q466 M493S460-G462 PolarHBondContact O-N 2.86Å; G462-Q466 WeakPolarHBondContact O-CB 3.39Å; G462-Q466 PolarHBondContact O-N 3.24Å; G462-M493 WeakPolarHBondContact CA-O 3.2Å
463F86.9Confident90.3Very high48 Ų4828.2 Ų28.221%0.21114%0.142CC..Hα-helixtrans-63.8-57.2171.7-177-101.6000110.5T263 F420 S460 P461 M465 Q466 D467T263-F463 HydrophobicContact CG2-CD1 4.02Å; T263-F463 HydrophobicContact CG2-CE1 4.27Å; F420-F463 HydrophobicContact CE2-CD2 4.17Å; F420-F463 HydrophobicContact CE2-CE1 4.44Å; F420-F463 HydrophobicContact CE2-CE2 4.02Å; F420-F463 HydrophobicContact CE2-CG 4.44Å; F420-F463 HydrophobicContact CE2-CZ 4.16Å; F420-F463 HydrophobicContact CZ-CD1 4.2Å; F420-F463 AromaticContact CZ-CE1 3.98Å; F420-F463 HydrophobicContact CZ-CE1 3.98Å; F420-F463 HydrophobicContact CZ-CE2 4.37Å; F420-F463 HydrophobicContact CZ-CG 4.49Å; F420-F463 HydrophobicContact CZ-CZ 4.07Å; S460-F463 WeakPolarHBondContact O-CB 3.49Å; S460-F463 PolarHBondContact O-N 3.4Å; P461-F463 PolarHBondContact O-N 3.36Å; P461-F463 VanDerWaalsContact O-N 3.09Å; F463-M465 PolarHBondContact O-N 3.27Å; F463-Q466 PolarHBondContact O-N 3.41Å; F463-D467 PolarHBondContact O-N 3.34Å
464S89.1Confident90.4Very high4 Ų429.6 Ų29.63%0.02815%0.147CC..Hα-helixtrans-66-36.4178.1-39.30000112.3C259 T263 P461 D467 L468C259-S464 PolarHBondContact O-OG 2.91Å; T263-S464 WeakPolarHBondContact CG2-OG 3.48Å; P461-S464 PolarHBondContact O-N 3.24Å; S464-D467 PolarHBondContact O-N 3.49Å; S464-L468 PolarHBondContact O-N 3.21Å
465M90.8Very high90.4Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-70.5-33.9177.8-62.6-58.8-64.800113L230 V255 P461 F463 L468 V469 V476 L478 M493 I495L230-M465 HydrophobicContact CD2-SD 4.23Å; V255-M465 HydrophobicContact CG1-SD 4.14Å; P461-M465 WeakPolarHBondContact O-CG 3.48Å; P461-M465 PolarHBondContact O-N 2.65Å; P461-M465 VanDerWaalsContact O-N 3.07Å; F463-M465 PolarHBondContact O-N 3.27Å; M465-L468 HydrophobicContact CE-CD1 4.47Å; M465-L468 PolarHBondContact O-N 3.47Å; M465-L468 HydrophobicContact SD-CD1 4.16Å; M465-V469 WeakPolarHBondContact O-CG2 3.34Å; M465-V469 PolarHBondContact O-N 3.02Å; M465-V476 HydrophobicContact CE-CG1 4.02Å; M465-L478 HydrophobicContact CE-CD2 4.41Å; M465-M493 HydrophobicContact CG-SD 3.87Å; M465-M493 HydrophobicContact SD-SD 4.45Å; M465-I495 HydrophobicContact CB-CD1 4.23Å; M465-I495 HydrophobicContact CB-CG1 4.44Å; M465-I495 HydrophobicContact CB-CG2 4.02Å; M465-I495 HydrophobicContact CE-CD1 3.81Å
466Q88.4Confident90.5Very high81 Ų8129.5 Ų29.538%0.37915%0.146SC..Hα-helixtrans-71.6-35.6175.4-172.960.752.200111.5G462 F463 L468 V469 N470G462-Q466 WeakPolarHBondContact O-CB 3.39Å; G462-Q466 PolarHBondContact O-N 3.24Å; F463-Q466 PolarHBondContact O-N 3.41Å; Q466-L468 VanDerWaalsContact C-N 3.33Å; Q466-L468 PolarHBondContact O-N 3.25Å; Q466-V469 PolarHBondContact O-N 3Å; Q466-V469 VanDerWaalsContact O-N 3.16Å; Q466-N470 PolarHBondContact NE2-OD1 3.11Å; Q466-N470 WeakPolarHBondContact O-CB 3.46Å; Q466-N470 PolarHBondContact O-N 3.11Å; Q466-N470 PolarHBondContact O-OD1 3.37Å
467D86.9Confident90.6Very high49 Ų4929.3 Ų29.326%0.26215%0.146SC..Hα-helixtrans-61.1-38.8172.2171.669.4000112.4R235 F463 S464 V469 N470 Q471R235-D467 IonicContact CZ-OD2 3.56Å; R235-D467 IonicContact NH1-OD2 3.75Å; R235-D467 PolarHBondContact NH1-OD2 3.14Å; R235-D467 IonicContact NH2-OD2 2.78Å; R235-D467 PolarHBondContact NH2-OD2 3.25Å; F463-D467 PolarHBondContact O-N 3.34Å; S464-D467 PolarHBondContact O-N 3.49Å; D467-V469 PolarHBondContact O-N 2.93Å; D467-N470 PolarHBondContact O-N 3.24Å; D467-Q471 WeakPolarHBondContact O-CG 3.42Å; D467-Q471 PolarHBondContact O-N 3.07Å; D467-Q471 PolarHBondContact OD1-NE2 2.81Å; D467-Q471 PolarHBondContact OD2-NE2 3.34Å
468L88.8Confident90.7Very high0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-60.9-43.1171.2-67.5176.9000112.3L229 L230 L242 F249 S464 M465 Q466 N470 Q471 V473L229-L468 HydrophobicContact CD1-CD2 3.94Å; L229-L468 HydrophobicContact CG-CD2 4.19Å; L230-L468 HydrophobicContact CD2-CD1 4.07Å; L242-L468 HydrophobicContact CD1-CD2 3.5Å; F249-L468 HydrophobicContact CE2-CD1 4.2Å; F249-L468 HydrophobicContact CZ-CD1 3.89Å; S464-L468 PolarHBondContact O-N 3.21Å; M465-L468 HydrophobicContact CE-CD1 4.47Å; M465-L468 PolarHBondContact O-N 3.47Å; M465-L468 HydrophobicContact SD-CD1 4.16Å; Q466-L468 VanDerWaalsContact C-N 3.33Å; Q466-L468 PolarHBondContact O-N 3.25Å; L468-N470 VanDerWaalsContact C-N 3.35Å; L468-Q471 PolarHBondContact O-N 3.45Å; L468-V473 WeakPolarHBondContact O-CG1 3.2Å; L468-V473 WeakPolarHBondContact O-CG2 3.28Å
469V89Confident90.7Very high49 Ų4928.6 Ų28.630%0.29714%0.143SC..Hα-helixtrans-66.4-36.7177.6172.70000111.7M465 Q466 D467 Q471 E472 I495M465-V469 WeakPolarHBondContact O-CG2 3.34Å; M465-V469 PolarHBondContact O-N 3.02Å; Q466-V469 PolarHBondContact O-N 3Å; Q466-V469 VanDerWaalsContact O-N 3.16Å; D467-V469 PolarHBondContact O-N 2.93Å; V469-Q471 PolarHBondContact O-N 2.85Å; V469-E472 PolarHBondContact O-N 3.05Å; V469-I495 HydrophobicContact CG2-CD1 4.17Å; V469-I495 HydrophobicContact CG2-CG2 4.12Å
470N88.3Confident90.6Very high108 Ų10828.5 Ų28.558%0.57814%0.143SC*.Hα-helixtrans-67.4-17.1177.2-67.2-7.4000113.2Q466 D467 L468 E472Q466-N470 PolarHBondContact NE2-OD1 3.11Å; Q466-N470 WeakPolarHBondContact O-CB 3.46Å; Q466-N470 PolarHBondContact O-N 3.11Å; Q466-N470 PolarHBondContact O-OD1 3.37Å; D467-N470 PolarHBondContact O-N 3.24Å; L468-N470 VanDerWaalsContact C-N 3.35Å; N470-E472 VanDerWaalsContact C-N 3.27Å; N470-E472 PolarHBondContact O-N 3.11Å
471Q86.8Confident90.3Very high70 Ų7028.7 Ų28.733%0.32714%0.144SC..THydrogen-bonded Turntrans-92.824176.5-65.9177.329.900112.9L242 N243 D467 L468 V469 V473L242-Q471 CarbonylContact C-O 3.55Å; L242-Q471 HydrophobicContact CB-CB 4.06Å; L242-Q471 HydrophobicContact CD1-CB 4.35Å; N243-Q471 WeakPolarHBondContact CA-O 3.35Å; N243-Q471 PolarHBondContact N-O 2.84Å; D467-Q471 WeakPolarHBondContact O-CG 3.42Å; D467-Q471 PolarHBondContact O-N 3.07Å; D467-Q471 PolarHBondContact OD1-NE2 2.81Å; D467-Q471 PolarHBondContact OD2-NE2 3.34Å; L468-Q471 PolarHBondContact O-N 3.45Å; V469-Q471 PolarHBondContact O-N 2.85Å; Q471-V473 VanDerWaalsContact C-N 3.3Å; Q471-V473 PolarHBondContact O-N 3.3Å
472E88.8Confident89.8Confident131 Ų13129.1 Ų29.161%0.61215%0.147SC*.THydrogen-bonded Turntrans56.833.4172-55.8-167135.600115.1N243 G244 V469 N470N243-E472 HydrophobicContact CB-CB 4.5Å; N243-E472 PolarHBondContact ND2-OE2 3.21Å; G244-E472 PolarHBondContact N-O 3.03Å; V469-E472 PolarHBondContact O-N 3.05Å; N470-E472 VanDerWaalsContact C-N 3.27Å; N470-E472 PolarHBondContact O-N 3.11Å
473V92.8Very high89.5Confident19 Ų1929 Ų2912%0.11515%0.145CC..  trans-57.2140.2171-660000111.2L242 V247 L468 Q471 C475 V476L242-V473 HydrophobicContact CB-CG1 3.85Å; L242-V473 HydrophobicContact CD1-CG1 4.37Å; V247-V473 HydrophobicContact CG2-CB 4.41Å; V247-V473 HydrophobicContact CG2-CG1 3.89Å; L468-V473 WeakPolarHBondContact O-CG1 3.2Å; L468-V473 WeakPolarHBondContact O-CG2 3.28Å; Q471-V473 VanDerWaalsContact C-N 3.3Å; Q471-V473 PolarHBondContact O-N 3.3Å; V473-C475 PolarHBondContact O-N 2.84Å; V473-V476 HydrophobicContact CG2-CG2 3.92Å
474R92.7Very high88.9Confident34 Ų3426.7 Ų26.713%0.12814%0.135CC..SBendtrans-65.7-41.4-178.4-179.4-177.2178.499.89.6112.4L32 K35 G244 A245 V246L32-R474 PolarHBondContact O-NE 3.37Å; L32-R474 PolarHBondContact O-NH2 2.83Å; K35-R474 CarbonylContact C-O 3.58Å; K35-R474 WeakPolarHBondContact CA-O 3.41Å; K35-R474 HydrophobicContact CB-CG 4.44Å; K35-R474 HydrophobicContact CG-CG 4.06Å; G244-R474 WeakPolarHBondContact O-CB 3.47Å; A245-R474 WeakPolarHBondContact O-CB 3.35Å; A245-R474 PolarHBondContact O-N 3Å; V246-R474 HydrophobicContact CG2-CB 4.44Å
475C94.8Very high88.5Confident0 Ų027.4 Ų27.40%014%0.139CC..EExtended strand (participates in β ladder)trans-169.6147.6175.156.70000110V247 V473V247-C475 PolarHBondContact N-O 2.74Å; V473-C475 PolarHBondContact O-N 2.84Å
476V96.1Very high88.1Confident0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-106122.5169.7-176.30000109.7N37 G38 V247 F249 M465 V473 L478N37-V476 CarbonylContact C-O 3.57Å; N37-V476 WeakPolarHBondContact CA-O 3.46Å; N37-V476 WeakPolarHBondContact CB-O 3.33Å; N37-V476 PolarHBondContact OD1-N 2.97Å; G38-V476 PolarHBondContact N-O 2.83Å; V247-V476 HydrophobicContact CB-CG2 4.35Å; V247-V476 HydrophobicContact CG1-CG1 4.29Å; V247-V476 CarbonylContact O-C 3.55Å; V247-V476 WeakPolarHBondContact O-CA 3.19Å; F249-V476 HydrophobicContact CD2-CG1 3.96Å; F249-V476 HydrophobicContact CE2-CG1 3.87Å; M465-V476 HydrophobicContact CE-CG1 4.02Å; V473-V476 HydrophobicContact CG2-CG2 3.92Å; V476-L478 HydrophobicContact CG1-CD2 3.86Å; V476-L478 HydrophobicContact CG1-CG 4.42Å
477I96.4Very high87.8Confident0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-110.5119175.4-56.5178.1000108.5V28 C31 L32 G38 L40 L52 V247 I248 F249V28-I477 HydrophobicContact CG1-CD1 4.4Å; C31-I477 HydrophobicContact CB-CD1 3.76Å; C31-I477 HydrophobicContact CB-CG1 3.92Å; L32-I477 HydrophobicContact CD2-CD1 4.27Å; L32-I477 HydrophobicContact CG-CD1 4.4Å; G38-I477 WeakPolarHBondContact O-CA 3.46Å; L40-I477 HydrophobicContact CD1-CG2 4.04Å; L40-I477 HydrophobicContact CG-CG2 4.47Å; L52-I477 HydrophobicContact CD1-CG2 4.49Å; V247-I477 PolarHBondContact O-N 3.07Å; I248-I477 WeakPolarHBondContact CA-O 2.74Å; I248-I477 HydrophobicContact CG1-CB 4.41Å; F249-I477 PolarHBondContact N-O 3.19Å
478L95.5Very high87.7Confident0 Ų025.1 Ų25.10%013%0.133CC..EExtended strand (participates in β ladder)trans-103.3131.8173.3-53.7-174.2000109.9G38 V39 L40 F249 A252 M465 V476 F489 M493 F497G38-L478 PolarHBondContact O-N 3.15Å; V39-L478 WeakPolarHBondContact CA-O 3.18Å; V39-L478 HydrophobicContact CG1-CB 4.29Å; V39-L478 HydrophobicContact CG2-CB 4.25Å; V39-L478 HydrophobicContact CG2-CD1 4.29Å; L40-L478 PolarHBondContact N-O 2.74Å; F249-L478 HydrophobicContact CB-CD2 3.71Å; F249-L478 HydrophobicContact CD2-CD2 3.4Å; F249-L478 HydrophobicContact CE2-CD2 4.18Å; F249-L478 HydrophobicContact CG-CD2 3.79Å; A252-L478 HydrophobicContact CB-CB 4.12Å; A252-L478 HydrophobicContact CB-CD2 4.49Å; M465-L478 HydrophobicContact CE-CD2 4.41Å; V476-L478 HydrophobicContact CG1-CD2 3.86Å; V476-L478 HydrophobicContact CG1-CG 4.42Å; L478-F489 HydrophobicContact CB-CE1 4.38Å; L478-F489 HydrophobicContact CD1-CE1 3.64Å; L478-F489 HydrophobicContact CD1-CZ 4.09Å; L478-M493 HydrophobicContact CD1-CE 4.33Å; L478-F497 HydrophobicContact CD1-CE1 3.88Å; L478-F497 HydrophobicContact CD1-CE2 4.4Å; L478-F497 HydrophobicContact CD1-CZ 3.51Å; L478-F497 HydrophobicContact CG-CE1 3.96Å; L478-F497 HydrophobicContact CG-CZ 4.1Å
479T93.3Very high87.5Confident0 Ų025.1 Ų25.10%013%0.133CC..EExtended strand (participates in β ladder)trans-144.3151.1174.9-171.10000113.5Y24 L40 L52 F249 D250 E251 A252Y24-T479 WeakPolarHBondContact OH-CB 3.4Å; Y24-T479 WeakPolarHBondContact OH-CG2 3.4Å; Y24-T479 PolarHBondContact OH-OG1 3Å; L40-T479 WeakPolarHBondContact O-CA 3.38Å; L40-T479 WeakPolarHBondContact O-CB 3.33Å; L40-T479 PolarHBondContact O-OG1 3.16Å; L52-T479 HydrophobicContact CD2-CG2 3.76Å; F249-T479 PolarHBondContact O-N 3.09Å; D250-T479 HydrophobicContact CB-CG2 4.33Å; E251-T479 WeakPolarHBondContact CA-O 3.42Å; E251-T479 PolarHBondContact N-O 3Å; A252-T479 WeakPolarHBondContact CB-O 3.37Å; A252-T479 PolarHBondContact N-O 3.47Å
480S89.7Confident87.4Confident0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-170.6164.8175.8151.90000109.1S42 E251 H253 T482S42-S480 PolarHBondContact N-O 3.47Å; E251-S480 WeakPolarHBondContact OE2-CB 3.37Å; E251-S480 PolarHBondContact OE2-OG 3.05Å; H253-S480 PolarHBondContact ND1-OG 3.32Å; S480-T482 VanDerWaalsContact C-N 3.32Å; S480-T482 PolarHBondContact OG-N 3.07Å; S480-T482 PolarHBondContact OG-OG1 2.86Å
481G83.3Confident87.3Confident4 Ų419.7 Ų19.74%0.04111%0.105CC..SBendtrans-81.11.5170.200000116.5S42 K48 E251S42-G481 VanDerWaalsContact O-CA 3.25Å; S42-G481 WeakPolarHBondContact O-CA 3.4Å; K48-G481 VanDerWaalsContact NZ-N 3.17Å; E251-G481 PolarHBondContact OE1-N 3.1Å
482T80.4Confident87.3Confident10 Ų1016.8 Ų16.86%0.0619%0.092CC..  trans-14635.3-166.255.70000114.6S480 N693 Q694S480-T482 VanDerWaalsContact C-N 3.32Å; S480-T482 PolarHBondContact OG-N 3.07Å; S480-T482 PolarHBondContact OG-OG1 2.86Å; T482-N693 HydrophobicContact CG2-CB 4.36Å; T482-Q694 HydrophobicContact CG2-CG 4.26Å
483L79.9Confident87.2Confident1 Ų110.5 Ų10.51%0.0056%0.062CC..  trans-83.7-15.2-179.7-59.7-179.6000113.6V39 E41 H253 P485 L486 F489V39-L483 HydrophobicContact CG1-CD1 3.54Å; E41-L483 HydrophobicContact CB-CB 4.34Å; E41-L483 PolarHBondContact OE1-N 2.86Å; H253-L483 HydrophobicContact CB-CD2 4.07Å; L483-P485 CarbonylContact O-C 3.53Å; L483-L486 HydrophobicContact CB-CD2 3.4Å; L483-L486 VanDerWaalsContact CB-CD2 3.4Å; L483-L486 HydrophobicContact CD1-CD2 4.14Å; L483-L486 HydrophobicContact CG-CD2 4.41Å; L483-F489 HydrophobicContact CD1-CE1 4.19Å; L483-F489 HydrophobicContact CD2-CD1 4.37Å; L483-F489 HydrophobicContact CD2-CD2 4.44Å; L483-F489 HydrophobicContact CD2-CE1 3.97Å; L483-F489 HydrophobicContact CD2-CE2 4.04Å; L483-F489 HydrophobicContact CD2-CZ 3.79Å
484S74.8Confident86.8Confident1 Ų111.8 Ų11.81%0.0077%0.065CC..  trans-54.2130.4179.8160.10000112.5E41 N693 L725E41-S484 VanDerWaalsContact CD-N 3.33Å; E41-S484 WeakPolarHBondContact OE1-CB 3.31Å; E41-S484 PolarHBondContact OE1-N 3.17Å; E41-S484 VanDerWaalsContact OE2-CB 3.24Å; E41-S484 WeakPolarHBondContact OE2-CB 3.4Å; E41-S484 PolarHBondContact OE2-N 2.93Å; S484-N693 PolarHBondContact O-ND2 2.82Å; S484-L725 PolarHBondContact OG-O 3.48Å
485P80.1Confident86.6Confident18 Ų1810.6 Ų10.612%0.1176%0.061CC..SBendcis-82.1128.9-1.7-13.530.9000113.2L483 T487 S488L483-P485 CarbonylContact O-C 3.53Å; P485-T487 VanDerWaalsContact C-N 3.31Å; P485-T487 PolarHBondContact O-N 3.28Å; P485-S488 PolarHBondContact O-N 3.24Å
486L83.7Confident86.3Confident5 Ų519 Ų193%0.02610%0.098CC..Hα-helixtrans-58.5-40.7-177.2-74.5-167.1000113.4V39 E41 L483 S488 F489 T490 L501 E502V39-L486 HydrophobicContact CG1-CD2 3.69Å; E41-L486 HydrophobicContact CB-CD2 4.04Å; E41-L486 HydrophobicContact CB-CG 4.44Å; L483-L486 HydrophobicContact CB-CD2 3.4Å; L483-L486 VanDerWaalsContact CB-CD2 3.4Å; L483-L486 HydrophobicContact CD1-CD2 4.14Å; L483-L486 HydrophobicContact CG-CD2 4.41Å; L486-S488 PolarHBondContact O-N 2.81Å; L486-S488 VanDerWaalsContact O-N 3.15Å; L486-F489 WeakPolarHBondContact O-CB 3.14Å; L486-F489 PolarHBondContact O-N 3.26Å; L486-F489 VanDerWaalsContact O-N 3.11Å; L486-T490 PolarHBondContact O-N 2.99Å; L486-T490 PolarHBondContact O-OG1 2.86Å; L486-L501 WeakPolarHBondContact CD1-O 3.49Å; L486-E502 HydrophobicContact CB-CG 4.49Å; L486-E502 HydrophobicContact CD1-CG 3.5Å; L486-E502 HydrophobicContact CG-CG 3.73Å
487T82.6Confident86.1Confident62 Ų6219.9 Ų19.938%0.3810%0.101SC..Hα-helixtrans-58-32.2-17352.60000113.5P485 T490 S491P485-T487 VanDerWaalsContact C-N 3.31Å; P485-T487 PolarHBondContact O-N 3.28Å; T487-T490 PolarHBondContact O-OG1 3.25Å; T487-S491 WeakPolarHBondContact O-CB 3.46Å; T487-S491 PolarHBondContact O-N 2.89Å; T487-S491 PolarHBondContact O-OG 2.69Å
488S83.2Confident85.9Confident15 Ų1524.3 Ų24.311%0.10513%0.13CC..Hα-helixtrans-84.6-36.7178.1-57.70000112.2P485 L486 S491 E492 Q686P485-S488 PolarHBondContact O-N 3.24Å; L486-S488 PolarHBondContact O-N 2.81Å; L486-S488 VanDerWaalsContact O-N 3.15Å; S488-S491 PolarHBondContact O-N 3.46Å; S488-E492 PolarHBondContact O-N 3.43Å; S488-Q686 VanDerWaalsContact CB-NE2 3.26Å; S488-Q686 PolarHBondContact OG-NE2 2.84Å
489F84.9Confident85.8Confident0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-58.9-46.8171-176.2-106.4000111.3V39 E256 L478 L483 L486 S491 E492 M493V39-F489 HydrophobicContact CG1-CD1 4.06Å; V39-F489 HydrophobicContact CG1-CE1 4.12Å; E256-F489 WeakPolarHBondContact OE2-CD2 3.37Å; E256-F489 WeakPolarHBondContact OE2-CE2 3.32Å; L478-F489 HydrophobicContact CB-CE1 4.38Å; L478-F489 HydrophobicContact CD1-CE1 3.64Å; L478-F489 HydrophobicContact CD1-CZ 4.09Å; L483-F489 HydrophobicContact CD1-CE1 4.19Å; L483-F489 HydrophobicContact CD2-CD1 4.37Å; L483-F489 HydrophobicContact CD2-CD2 4.44Å; L483-F489 HydrophobicContact CD2-CE1 3.97Å; L483-F489 HydrophobicContact CD2-CE2 4.04Å; L483-F489 HydrophobicContact CD2-CZ 3.79Å; L486-F489 WeakPolarHBondContact O-CB 3.14Å; L486-F489 PolarHBondContact O-N 3.26Å; L486-F489 VanDerWaalsContact O-N 3.11Å; F489-S491 VanDerWaalsContact C-N 3.33Å; F489-S491 PolarHBondContact O-N 3.36Å; F489-E492 PolarHBondContact O-N 2.95Å; F489-M493 HydrophobicContact CD2-CE 4.28Å; F489-M493 HydrophobicContact CE1-CE 4.1Å; F489-M493 HydrophobicContact CE2-CE 3.54Å; F489-M493 HydrophobicContact CZ-CE 3.44Å; F489-M493 VanDerWaalsContact CZ-CE 3.44Å; F489-M493 WeakPolarHBondContact O-CG 3.39Å; F489-M493 PolarHBondContact O-N 3.44Å
490T88Confident85.8Confident26 Ų2628 Ų2816%0.1615%0.15CC..Hα-helixtrans-64.5-35175.554.20000113.1V39 L486 T487 E492 F497 L500V39-T490 HydrophobicContact CB-CG2 4.41Å; V39-T490 HydrophobicContact CG2-CG2 3.82Å; L486-T490 PolarHBondContact O-N 2.99Å; L486-T490 PolarHBondContact O-OG1 2.86Å; T487-T490 PolarHBondContact O-OG1 3.25Å; T490-E492 VanDerWaalsContact C-N 3.34Å; T490-F497 HydrophobicContact CG2-CB 4.34Å; T490-F497 HydrophobicContact CG2-CD2 3.87Å; T490-F497 HydrophobicContact CG2-CG 4.37Å; T490-L500 HydrophobicContact CG2-CD2 3.98Å
491S85Confident85.9Confident18 Ų1829.3 Ų29.313%0.12616%0.156CC..Hα-helixtrans-68.4-33.9179-60.90000112.2T487 S488 F489 R676T487-S491 WeakPolarHBondContact O-CB 3.46Å; T487-S491 PolarHBondContact O-N 2.89Å; T487-S491 PolarHBondContact O-OG 2.69Å; S488-S491 PolarHBondContact O-N 3.46Å; F489-S491 VanDerWaalsContact C-N 3.33Å; F489-S491 PolarHBondContact O-N 3.36Å; S491-R676 WeakPolarHBondContact CB-O 3.41Å; S491-R676 WeakPolarHBondContact OG-CB 3.45Å
492E87.4Confident86.1Confident8 Ų833.4 Ų33.44%0.03718%0.175CC..Hα-helixtrans-73.3-34179.6-167.9160.5-156.500112.2P461 S488 F489 T490 R494 K660 W683 R690P461-E492 HydrophobicContact CG-CG 3.88Å; P461-E492 WeakPolarHBondContact CG-O 3.48Å; S488-E492 PolarHBondContact O-N 3.43Å; F489-E492 PolarHBondContact O-N 2.95Å; T490-E492 VanDerWaalsContact C-N 3.34Å; E492-R494 PolarHBondContact O-N 2.82Å; E492-K660 VanDerWaalsContact OE1-CE 3.25Å; E492-K660 WeakPolarHBondContact OE1-CE 3.23Å; E492-K660 IonicContact OE1-NZ 2.69Å; E492-K660 PolarHBondContact OE1-NZ 3.24Å; E492-W683 PolarHBondContact OE1-NE1 3.15Å; E492-R690 IonicContact OE2-NH1 2.75Å; E492-R690 PolarHBondContact OE2-NH1 3.24Å
493M87.4Confident86.3Confident0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-73.5-16.4179.2-66.8-64.9-177.200115.3V255 E256 P461 G462 M465 L478 F489 I495 F497V255-M493 HydrophobicContact CB-CE 4.04Å; V255-M493 HydrophobicContact CG1-CE 3.87Å; E256-M493 HydrophobicContact CB-CE 4.04Å; P461-M493 HydrophobicContact CB-SD 4.13Å; P461-M493 HydrophobicContact CG-SD 4.18Å; G462-M493 WeakPolarHBondContact CA-O 3.2Å; M465-M493 HydrophobicContact CG-SD 3.87Å; M465-M493 HydrophobicContact SD-SD 4.45Å; L478-M493 HydrophobicContact CD1-CE 4.33Å; F489-M493 HydrophobicContact CD2-CE 4.28Å; F489-M493 HydrophobicContact CE1-CE 4.1Å; F489-M493 HydrophobicContact CE2-CE 3.54Å; F489-M493 HydrophobicContact CZ-CE 3.44Å; F489-M493 VanDerWaalsContact CZ-CE 3.44Å; F489-M493 WeakPolarHBondContact O-CG 3.39Å; F489-M493 PolarHBondContact O-N 3.44Å; M493-I495 PolarHBondContact O-N 2.89Å; M493-F497 HydrophobicContact CB-CE2 3.87Å; M493-F497 HydrophobicContact CB-CZ 4.44Å; M493-F497 HydrophobicContact CG-CE2 4.36Å
494R84.1Confident86.4Confident45 Ų4535.2 Ų35.217%0.1719%0.194CC..  trans54.8-2.5178.1-56.4-175.8-179.8173.91.5118.3H419 S460 E492 M675H419-R494 PolarHBondContact CE1-NH1 3.14Å; H419-R494 PolarHBondContact ND1-NH1 2.71Å; H419-R494 PolarHBondContact NE2-NH1 2.92Å; H419-R494 VanDerWaalsContact NE2-NH1 3.12Å; S460-R494 WeakPolarHBondContact OG-CD 3.46Å; S460-R494 PolarHBondContact OG-NE 2.79Å; S460-R494 PolarHBondContact OG-NH1 3.38Å; E492-R494 PolarHBondContact O-N 2.82Å; R494-M675 HydrophobicContact CB-CE 4.41Å; R494-M675 WeakPolarHBondContact O-CE 3.41Å
495I88.3Confident86.7Confident10 Ų1036.5 Ų36.55%0.05120%0.199CC..SBendtrans-93.2152.7169.366.9166.9000110.9M465 V469 M493 F497M465-I495 HydrophobicContact CB-CD1 4.23Å; M465-I495 HydrophobicContact CB-CG1 4.44Å; M465-I495 HydrophobicContact CB-CG2 4.02Å; M465-I495 HydrophobicContact CE-CD1 3.81Å; V469-I495 HydrophobicContact CG2-CD1 4.17Å; V469-I495 HydrophobicContact CG2-CG2 4.12Å; M493-I495 PolarHBondContact O-N 2.89Å; I495-F497 HydrophobicContact CD1-CE1 4.05Å; I495-F497 HydrophobicContact CD1-CE2 4.14Å; I495-F497 HydrophobicContact CD1-CZ 3.59Å; I495-F497 HydrophobicContact CG1-CD2 4.3Å; I495-F497 HydrophobicContact CG1-CE1 4.31Å; I495-F497 HydrophobicContact CG1-CE2 3.53Å; I495-F497 HydrophobicContact CG1-CZ 3.53Å; I495-F497 WeakPolarHBondContact O-CD2 3.37Å
496K88.9Confident86.7Confident176 Ų17636.8 Ų36.877%0.76520%0.2SC*.  trans-77.2130.3-179.4-67.8179.8-179.8175.60111.1N37N37-K496 WeakPolarHBondContact CB-O 3.43Å; N37-K496 PolarHBondContact ND2-O 3.35Å; N37-K496 VanDerWaalsContact ND2-O 3.09Å
497F91.6Very high86.7Confident18 Ų1837.1 Ų37.18%0.07920%0.202CC..  trans-119.986.5172.1-63.8-81.8000109.8N37 V39 L478 T490 M493 I495 V499 L500N37-F497 HydrophobicContact CB-CD1 3.58Å; N37-F497 HydrophobicContact CB-CE1 3.98Å; N37-F497 HydrophobicContact CB-CG 4.42Å; V39-F497 HydrophobicContact CG2-CB 3.98Å; V39-F497 HydrophobicContact CG2-CD1 3.43Å; V39-F497 VanDerWaalsContact CG2-CD1 3.43Å; V39-F497 HydrophobicContact CG2-CD2 3.86Å; V39-F497 HydrophobicContact CG2-CE1 3.74Å; V39-F497 HydrophobicContact CG2-CE2 4.12Å; V39-F497 HydrophobicContact CG2-CG 3.49Å; V39-F497 VanDerWaalsContact CG2-CG 3.49Å; V39-F497 HydrophobicContact CG2-CZ 4.06Å; L478-F497 HydrophobicContact CD1-CE1 3.88Å; L478-F497 HydrophobicContact CD1-CE2 4.4Å; L478-F497 HydrophobicContact CD1-CZ 3.51Å; L478-F497 HydrophobicContact CG-CE1 3.96Å; L478-F497 HydrophobicContact CG-CZ 4.1Å; T490-F497 HydrophobicContact CG2-CB 4.34Å; T490-F497 HydrophobicContact CG2-CD2 3.87Å; T490-F497 HydrophobicContact CG2-CG 4.37Å; M493-F497 HydrophobicContact CB-CE2 3.87Å; M493-F497 HydrophobicContact CB-CZ 4.44Å; M493-F497 HydrophobicContact CG-CE2 4.36Å; I495-F497 HydrophobicContact CD1-CE1 4.05Å; I495-F497 HydrophobicContact CD1-CE2 4.14Å; I495-F497 HydrophobicContact CD1-CZ 3.59Å; I495-F497 HydrophobicContact CG1-CD2 4.3Å; I495-F497 HydrophobicContact CG1-CE1 4.31Å; I495-F497 HydrophobicContact CG1-CE2 3.53Å; I495-F497 HydrophobicContact CG1-CZ 3.53Å; I495-F497 WeakPolarHBondContact O-CD2 3.37Å; F497-V499 VanDerWaalsContact C-N 3.29Å; F497-V499 PolarHBondContact O-N 2.85Å; F497-L500 HydrophobicContact CB-CD2 4.12Å
498P91.9Very high86.8Confident93 Ų9338.5 Ų38.560%0.60420%0.204SC*.  trans-67.6-26.1178.227.6-37.3000113.6N37N37-P498 VanDerWaalsContact O-CD 3.26Å; N37-P498 WeakPolarHBondContact O-CD 3.35Å
499V93.7Very high86.8Confident1 Ų147.8 Ų47.81%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-96.6115.2177.6-172.20000109.8K27 Q30 S36 N37 G38 V39 L40 F497K27-V499 HydrophobicContact CB-CG1 4.3Å; K27-V499 HydrophobicContact CD-CG1 3.61Å; Q30-V499 HydrophobicContact CB-CG1 4.48Å; Q30-V499 HydrophobicContact CG-CG1 4.43Å; Q30-V499 HydrophobicContact CG-CG2 3.82Å; S36-V499 WeakPolarHBondContact OG-CG2 3.44Å; N37-V499 PolarHBondContact O-N 3.27Å; G38-V499 CarbonylContact C-O 3.34Å; G38-V499 WeakPolarHBondContact CA-O 3.41Å; V39-V499 PolarHBondContact N-O 3.47Å; L40-V499 HydrophobicContact CD2-CG1 4.4Å; F497-V499 VanDerWaalsContact C-N 3.29Å; F497-V499 PolarHBondContact O-N 2.85Å
500L93.1Very high86.9Confident78 Ų7850 Ų5041%0.40825%0.249SC..EExtended strand (participates in β ladder)trans-124.3147.9176.4-60.2175.4000110.7V39 T490 F497V39-L500 HydrophobicContact CB-CD2 3.96Å; V39-L500 HydrophobicContact CG2-CD2 4.36Å; V39-L500 WeakPolarHBondContact O-CA 3.4Å; T490-L500 HydrophobicContact CG2-CD2 3.98Å; F497-L500 HydrophobicContact CB-CD2 4.12Å
501L90.9Very high87Confident26 Ų2648.8 Ų48.814%0.13624%0.241CC..EExtended strand (participates in β ladder)trans-148.9120.9173.417765.3000110Y24 K27 V39 L40 E41 L486 N503Y24-L501 HydrophobicContact CD2-CD2 3.89Å; Y24-L501 HydrophobicContact CG-CD2 4.39Å; K27-L501 HydrophobicContact CB-CD2 4.3Å; K27-L501 HydrophobicContact CG-CB 4.34Å; K27-L501 HydrophobicContact CG-CD2 4.23Å; V39-L501 PolarHBondContact O-N 2.72Å; V39-L501 VanDerWaalsContact O-N 3.15Å; L40-L501 HydrophobicContact CD2-CB 3.65Å; L40-L501 HydrophobicContact CD2-CD2 4.34Å; E41-L501 PolarHBondContact N-O 3.25Å; L486-L501 WeakPolarHBondContact CD1-O 3.49Å; L501-N503 HydrophobicContact CD1-CB 4.46Å; L501-N503 HydrophobicContact CD2-CB 4.26Å; L501-N503 HydrophobicContact CG-CB 4.14Å
502E88.4Confident87.3Confident91 Ų9147.9 Ų47.943%0.42524%0.235SC..EExtended strand (participates in β ladder)trans-105.195.2161.8-68-170.4-179.100107.5L486L486-E502 HydrophobicContact CB-CG 4.49Å; L486-E502 HydrophobicContact CD1-CG 3.5Å; L486-E502 HydrophobicContact CG-CG 3.73Å
503N84.1Confident87.7Confident9 Ų947.5 Ų47.55%0.04823%0.234CC..PPolyproline II helixtrans-77.2152-169.6-152.57.5000113.2C20 E41 S42 L501C20-N503 WeakPolarHBondContact CB-OD1 3.44Å; C20-N503 PolarHBondContact O-ND2 3.14Å; E41-N503 WeakPolarHBondContact O-CB 3.22Å; E41-N503 PolarHBondContact O-N 3.07Å; S42-N503 PolarHBondContact OG-ND2 2.82Å; L501-N503 HydrophobicContact CD1-CB 4.46Å; L501-N503 HydrophobicContact CD2-CB 4.26Å; L501-N503 HydrophobicContact CG-CB 4.14Å
504G81.8Confident88Confident40 Ų4047.5 Ų47.541%0.41223%0.234SC..PPolyproline II helixtrans-69.1164.1170.600000112.9P43P43-G504 WeakPolarHBondContact CD-O 3.43Å
505H81.6Confident88.6Confident28 Ų2845.4 Ų45.413%0.1323%0.226CC..PPolyproline II helixtrans-95.5147.1169.6-156.1-52.1000110.3P43 T44 I507 I700 W728P43-H505 HydrophobicContact CB-CB 4.38Å; P43-H505 WeakPolarHBondContact CB-CD2 3.42Å; P43-H505 HydrophobicContact CG-CB 4.02Å; T44-H505 PolarHBondContact O-NE2 3.44Å; H505-I507 HydrophobicContact CB-CG1 4.1Å; H505-I507 PolarHBondContact ND1-N 3.01Å; H505-I507 PolarHBondContact O-N 2.69Å; H505-I700 WeakPolarHBondContact CE1-CG2 3.42Å; H505-W728 HydrophobicContact CB-CB 3.75Å; H505-W728 HydrophobicContact CB-CD2 4.33Å; H505-W728 HydrophobicContact CB-CE3 4.34Å; H505-W728 HydrophobicContact CB-CG 4.11Å; H505-W728 AromaticContact CD2-CD2 3.55Å; H505-W728 AromaticContact CD2-CE2 3.93Å; H505-W728 AromaticContact CD2-CE3 3.47Å; H505-W728 VanDerWaalsContact CD2-CE3 3.47Å; H505-W728 AromaticContact CD2-CZ3 3.76Å
506V81.1Confident89Confident23 Ų2345 Ų4514%0.13922%0.224CC..SBendtrans-72.80.1179.4-173.20000113.5Y18 C20 T46 K703Y18-V506 HydrophobicContact CD1-CG1 4.01Å; Y18-V506 HydrophobicContact CD2-CB 4.41Å; Y18-V506 HydrophobicContact CD2-CG1 3.73Å; Y18-V506 HydrophobicContact CD2-CG2 3.64Å; Y18-V506 HydrophobicContact CE1-CG1 4.06Å; Y18-V506 HydrophobicContact CE2-CG1 3.8Å; Y18-V506 HydrophobicContact CE2-CG2 4.19Å; Y18-V506 HydrophobicContact CG-CG1 3.86Å; Y18-V506 HydrophobicContact CG-CG2 4.14Å; C20-V506 WeakPolarHBondContact SG-CG2 3.33Å; T46-V506 HydrophobicContact CG2-CG2 3.97Å; V506-K703 HydrophobicContact CG1-CB 3.79Å; V506-K703 HydrophobicContact CG1-CD 3.9Å; V506-K703 HydrophobicContact CG1-CG 3.8Å
507I83.8Confident89.3Confident13 Ų1336.9 Ų36.97%0.06719%0.189CC..  trans-92.5146.7-175.160.7-179.1000113.5H505 Q511 I512 I700 W728H505-I507 HydrophobicContact CB-CG1 4.1Å; H505-I507 PolarHBondContact ND1-N 3.01Å; H505-I507 PolarHBondContact O-N 2.69Å; I507-Q511 HydrophobicContact CB-CB 4.18Å; I507-Q511 HydrophobicContact CG2-CB 4.49Å; I507-I512 HydrophobicContact CD1-CB 3.99Å; I507-I512 HydrophobicContact CD1-CD1 4.46Å; I507-I512 HydrophobicContact CD1-CG2 3.71Å; I507-I700 HydrophobicContact CD1-CG1 4.28Å; I507-I700 HydrophobicContact CD1-CG2 4.39Å; I507-I700 HydrophobicContact CG2-CG2 3.77Å; I507-W728 HydrophobicContact CD1-CE3 4.23Å; I507-W728 HydrophobicContact CD1-CZ3 4.12Å
508E84.1Confident89.4Confident91 Ų9136.7 Ų36.743%0.42519%0.189SC..  trans-83.9164.1175.5-66.9157.2175.700111.4D510 Q511 R757E508-D510 WeakPolarHBondContact CB-OD1 3.48Å; E508-D510 PolarHBondContact O-N 2.94Å; E508-D510 VanDerWaalsContact O-N 3.17Å; E508-Q511 HydrophobicContact CB-CG 4.43Å; E508-Q511 PolarHBondContact O-N 3.49Å; E508-R757 IonicContact OE2-CZ 3.27Å; E508-R757 IonicContact OE2-NH1 3.59Å; E508-R757 PolarHBondContact OE2-NH1 3.05Å; E508-R757 VanDerWaalsContact OE2-NH1 3.15Å; E508-R757 IonicContact OE2-NH2 2.73Å; E508-R757 PolarHBondContact OE2-NH2 3.42Å
509R83Confident89.4Confident209 Ų20937.2 Ų37.279%0.78918%0.179SC*.THydrogen-bonded Turntrans-69.2-15.4-168.2-63.3-170.5173176.4-0.6114.8Y732R509-Y732 HydrophobicContact CB-CE1 3.95Å; R509-Y732 HydrophobicContact CG-CE1 3.91Å
510D86Confident89.4Confident47 Ų4737.3 Ų37.325%0.25118%0.18SC..THydrogen-bonded Turntrans-86.1-13.4178.161.7-65.1000113.5E508 F749 R757E508-D510 WeakPolarHBondContact CB-OD1 3.48Å; E508-D510 PolarHBondContact O-N 2.94Å; E508-D510 VanDerWaalsContact O-N 3.17Å; D510-F749 WeakPolarHBondContact O-CE2 3.45Å; D510-R757 IonicContact OD1-NH2 3.4Å; D510-R757 PolarHBondContact OD1-NH2 3.32Å; D510-R757 IonicContact OD2-CZ 2.71Å; D510-R757 IonicContact OD2-NE 2.61Å; D510-R757 IonicContact OD2-NH2 2.78Å; D510-R757 PolarHBondContact OD2-NH2 3.49Å
511Q90.1Very high89.3Confident0 Ų036.3 Ų36.30%018%0.178CC..SBendtrans-88.8-16.7-171-60.7-173.2-10800114.4I507 E508 K703 D705 Y706 G707 R757I507-Q511 HydrophobicContact CB-CB 4.18Å; I507-Q511 HydrophobicContact CG2-CB 4.49Å; E508-Q511 HydrophobicContact CB-CG 4.43Å; E508-Q511 PolarHBondContact O-N 3.49Å; Q511-K703 PolarHBondContact NE2-O 3.29Å; Q511-K703 PolarHBondContact OE1-O 3.32Å; Q511-D705 PolarHBondContact NE2-O 2.93Å; Q511-Y706 WeakPolarHBondContact O-CA 3.36Å; Q511-Y706 VanDerWaalsContact O-CB 3.3Å; Q511-Y706 WeakPolarHBondContact O-CB 3.44Å; Q511-G707 PolarHBondContact O-N 3.2Å; Q511-R757 VanDerWaalsContact CG-NH2 3.34Å
512I92.4Very high89.4Confident0 Ų038.6 Ų38.60%019%0.19CC..EExtended strand (participates in β ladder)trans-129.7127.7-175.2175160000111.7I507 V514 I709 W728 Y732I507-I512 HydrophobicContact CD1-CB 3.99Å; I507-I512 HydrophobicContact CD1-CD1 4.46Å; I507-I512 HydrophobicContact CD1-CG2 3.71Å; I512-V514 HydrophobicContact CD1-CG2 3.82Å; I512-V514 HydrophobicContact CG1-CG2 3.69Å; I512-I709 HydrophobicContact CD1-CD1 3.92Å; I512-W728 HydrophobicContact CD1-CE3 4.1Å; I512-W728 HydrophobicContact CD1-CH2 4.39Å; I512-W728 HydrophobicContact CD1-CZ3 3.5Å; I512-Y732 HydrophobicContact CD1-CD2 4.46Å; I512-Y732 HydrophobicContact CG2-CD1 4.03Å; I512-Y732 HydrophobicContact CG2-CD2 3.51Å; I512-Y732 HydrophobicContact CG2-CE1 4.11Å; I512-Y732 HydrophobicContact CG2-CE2 3.59Å; I512-Y732 HydrophobicContact CG2-CG 3.74Å
513F94.8Very high89.5Confident0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-111129.3169.1-174.8-84.7000109.5G707 A708 I709 F710 Y736 V742 D745 V746 F749F513-G707 PolarHBondContact N-O 2.96Å; F513-A708 HydrophobicContact CB-CB 4.04Å; F513-A708 HydrophobicContact CD1-CB 4.28Å; F513-A708 CarbonylContact O-C 3.59Å; F513-A708 VanDerWaalsContact O-CA 3.32Å; F513-A708 WeakPolarHBondContact O-CA 3.47Å; F513-I709 PolarHBondContact O-N 2.92Å; F513-F710 HydrophobicContact CD1-CE1 4.27Å; F513-F710 HydrophobicContact CE1-CE1 4.16Å; F513-Y736 HydrophobicContact CZ-CE2 4.03Å; F513-V742 HydrophobicContact CE1-CG1 4.48Å; F513-D745 HydrophobicContact CE2-CB 3.9Å; F513-D745 HydrophobicContact CZ-CB 4.18Å; F513-V746 HydrophobicContact CD1-CG2 3.9Å; F513-V746 HydrophobicContact CE1-CG2 3.38Å; F513-V746 HydrophobicContact CE2-CG2 4.37Å; F513-V746 HydrophobicContact CZ-CG2 3.66Å; F513-F749 HydrophobicContact CB-CB 4.49Å; F513-F749 HydrophobicContact CB-CD1 3.78Å; F513-F749 HydrophobicContact CB-CD2 3.79Å; F513-F749 HydrophobicContact CB-CE1 3.85Å; F513-F749 HydrophobicContact CB-CE2 3.83Å; F513-F749 HydrophobicContact CB-CG 3.76Å; F513-F749 HydrophobicContact CB-CZ 3.88Å; F513-F749 HydrophobicContact CD2-CB 4.07Å; F513-F749 HydrophobicContact CD2-CD2 4.48Å; F513-F749 HydrophobicContact CD2-CG 4.22Å; F513-F749 HydrophobicContact CG-CD1 4.48Å; F513-F749 HydrophobicContact CG-CG 4.31Å
514V95.4Very high89.9Confident0 Ų037.6 Ų37.60%020%0.197CC..EExtended strand (participates in β ladder)trans-130.3129.9174.5-168.30000109.2I512 I709 L711 V729 Y732 V733 R734I512-V514 HydrophobicContact CD1-CG2 3.82Å; I512-V514 HydrophobicContact CG1-CG2 3.69Å; V514-I709 WeakPolarHBondContact CA-O 3.15Å; V514-I709 HydrophobicContact CG1-CB 4.15Å; V514-I709 HydrophobicContact CG1-CG2 4.11Å; V514-I709 HydrophobicContact CG2-CB 4.31Å; V514-I709 HydrophobicContact CG2-CD1 4.24Å; V514-L711 HydrophobicContact CG1-CD1 4.46Å; V514-V729 HydrophobicContact CG1-CG1 4.22Å; V514-V729 HydrophobicContact CG2-CG1 4.05Å; V514-Y732 VanDerWaalsContact O-O 3.06Å; V514-V733 HydrophobicContact CG1-CG2 4.02Å; V514-R734 WeakPolarHBondContact O-CB 3.46Å; V514-R734 PolarHBondContact O-N 3.11Å
515S95.5Very high90.4Very high0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-137.5135.8175.960.40000112.3I709 F710 L711 R734S515-I709 PolarHBondContact N-O 2.76Å; S515-F710 WeakPolarHBondContact OG-CD1 3.11Å; S515-L711 PolarHBondContact O-N 2.71Å; S515-R734 WeakPolarHBondContact CA-O 3.42Å
516V96Very high91Very high3 Ų337.6 Ų37.62%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-82.7130.8162.8179.40000108.8L711 F716 K717 V733 R734 L735V516-L711 HydrophobicContact CG2-CB 4.38Å; V516-L711 HydrophobicContact CG2-CD1 4.36Å; V516-F716 HydrophobicContact CG1-CB 3.84Å; V516-F716 HydrophobicContact CG2-CB 3.91Å; V516-K717 HydrophobicContact CG1-CB 4.45Å; V516-V733 HydrophobicContact CG2-CG1 3.86Å; V516-R734 PolarHBondContact N-O 3.43Å; V516-L735 HydrophobicContact CB-CD2 3.71Å; V516-L735 HydrophobicContact CG1-CD2 4.45Å; V516-L735 HydrophobicContact CG2-CD2 3.76Å
517I95.1Very high91.6Very high4 Ų436.7 Ų36.72%0.02118%0.181CC..  trans-116.893.4176-54.6-178.2000106.5R519 L526 T545 L549 F710 L711 C712 D713 F739 V742I517-R519 VanDerWaalsContact CG2-O 3.22Å; I517-R519 WeakPolarHBondContact CG2-O 3.31Å; I517-L526 HydrophobicContact CG2-CD1 3.9Å; I517-T545 HydrophobicContact CG2-CG2 4.39Å; I517-L549 HydrophobicContact CD1-CD1 4.04Å; I517-F710 HydrophobicContact CD1-CB 4.3Å; I517-F710 HydrophobicContact CD1-CD1 4.08Å; I517-L711 PolarHBondContact N-O 2.91Å; I517-C712 CarbonylContact O-C 3.51Å; I517-C712 WeakPolarHBondContact O-CA 3.33Å; I517-D713 PolarHBondContact O-N 2.74Å; I517-F739 HydrophobicContact CD1-CE2 4.2Å; I517-F739 HydrophobicContact CG2-CD2 4Å; I517-F739 HydrophobicContact CG2-CE2 4.27Å; I517-V742 HydrophobicContact CD1-CG1 4.13Å; I517-V742 HydrophobicContact CG1-CG1 4.46Å
518D93.8Very high91.9Very high15 Ų1536.8 Ų36.88%0.0818%0.183CC..SBendtrans-81.9-19.9178.566.5-19.5000112.7H525 L526 Q714 K717D518-H525 CarbonylContact O-C 3.59Å; D518-H525 WeakPolarHBondContact O-CA 3.39Å; D518-L526 PolarHBondContact O-N 2.88Å; D518-Q714 HydrophobicContact CB-CB 3.96Å; D518-K717 HydrophobicContact CB-CD 4.38Å; D518-K717 WeakPolarHBondContact OD2-CD 3.39Å; D518-K717 WeakPolarHBondContact OD2-CE 3.27Å; D518-K717 IonicContact OD2-NZ 2.56Å; D518-K717 PolarHBondContact OD2-NZ 2.94Å
519R93.9Very high92.2Very high104 Ų10433.4 Ų33.439%0.39217%0.17SC..BIsolated β-bridgetrans-135.9141.5178.4-64.2171.7-179.6-112.413.9112.2I517 G523 V524 H525I517-R519 VanDerWaalsContact CG2-O 3.22Å; I517-R519 WeakPolarHBondContact CG2-O 3.31Å; R519-G523 PolarHBondContact NH1-O 2.82Å; R519-V524 CarbonylContact C-O 3.43Å; R519-V524 WeakPolarHBondContact CA-O 3.47Å; R519-H525 VanDerWaalsContact CZ-NE2 3.25Å; R519-H525 PolarHBondContact NE-NE2 3.45Å; R519-H525 PolarHBondContact NH1-CE1 2.69Å; R519-H525 PolarHBondContact NH2-CE1 3.19Å; R519-H525 VanDerWaalsContact NH2-CE1 3.3Å; R519-H525 PolarHBondContact NH2-NE2 3.38Å; R519-H525 VanDerWaalsContact NH2-NE2 3.13Å
520G91.9Very high92.3Very high3 Ų330.8 Ų30.83%0.03117%0.165CC..  trans-78.6-174.3174.900000114.1D522 G523 V524 S541 T545G520-D522 PolarHBondContact O-N 2.95Å; G520-G523 PolarHBondContact O-N 3.24Å; G520-V524 PolarHBondContact N-O 2.63Å; G520-S541 WeakPolarHBondContact CA-OG 3.43Å; G520-T545 WeakPolarHBondContact CA-OG1 3.46Å
521P91.8Very high92.4Very high57 Ų5734 Ų3437%0.3718%0.182SC..THydrogen-bonded Turntrans-60.8-25.1-177.9-21.632000114.5N544 T545 F739P521-N544 HydrophobicContact CG-CB 4Å; P521-T545 WeakPolarHBondContact CD-OG1 3.47Å; P521-F739 HydrophobicContact CB-CD1 3.92Å; P521-F739 HydrophobicContact CB-CE1 4.3Å; P521-F739 HydrophobicContact CB-CG 4.43Å; P521-F739 HydrophobicContact CG-CD1 3.68Å; P521-F739 HydrophobicContact CG-CE1 3.65Å; P521-F739 HydrophobicContact CG-CG 4.14Å; P521-F739 HydrophobicContact CG-CZ 4.09Å
522D92.3Very high92.3Very high73 Ų7339.1 Ų39.139%0.3920%0.201SC..THydrogen-bonded Turntrans-90.3-1.3178.839.740000113G520 V524 S541 N544G520-D522 PolarHBondContact O-N 2.95Å; D522-V524 VanDerWaalsContact C-N 3.25Å; D522-V524 HydrophobicContact CB-CG2 4.39Å; D522-V524 PolarHBondContact O-N 3.35Å; D522-V524 WeakPolarHBondContact OD1-CB 3.44Å; D522-V524 PolarHBondContact OD1-N 3.47Å; D522-S541 VanDerWaalsContact OD1-CB 3.26Å; D522-S541 WeakPolarHBondContact OD1-CB 3.44Å; D522-S541 PolarHBondContact OD1-OG 3.01Å; D522-S541 VanDerWaalsContact OD2-CA 3.3Å; D522-S541 WeakPolarHBondContact OD2-CA 3.44Å; D522-S541 WeakPolarHBondContact OD2-CB 3.2Å; D522-S541 PolarHBondContact OD2-OG 3.01Å; D522-N544 PolarHBondContact OD2-ND2 3.31Å
523G90.2Very high92.1Very high32 Ų3242.2 Ų42.233%0.3321%0.213SC..SBendtrans80.2-2.4179.400000115.2R519 G520R519-G523 PolarHBondContact NH1-O 2.82Å; G520-G523 PolarHBondContact O-N 3.24Å
524V93.6Very high92Very high48 Ų4845.5 Ų45.529%0.29123%0.227SC..PPolyproline II helixtrans-65.2138.4173.8178.30000109.7R519 G520 D522 L526 D537R519-V524 CarbonylContact C-O 3.43Å; R519-V524 WeakPolarHBondContact CA-O 3.47Å; G520-V524 PolarHBondContact N-O 2.63Å; D522-V524 VanDerWaalsContact C-N 3.25Å; D522-V524 HydrophobicContact CB-CG2 4.39Å; D522-V524 PolarHBondContact O-N 3.35Å; D522-V524 WeakPolarHBondContact OD1-CB 3.44Å; D522-V524 PolarHBondContact OD1-N 3.47Å; V524-L526 PolarHBondContact O-N 3.17Å; V524-D537 HydrophobicContact CG1-CB 4.16Å
525H92.8Very high91.9Very high66 Ų6648.3 Ų48.331%0.30624%0.243SC..BIsolated β-bridgetrans-73.9122.3179.6-6788.6000111.2D518 R519 N538 Q714D518-H525 CarbonylContact O-C 3.59Å; D518-H525 WeakPolarHBondContact O-CA 3.39Å; R519-H525 VanDerWaalsContact CZ-NE2 3.25Å; R519-H525 PolarHBondContact NE-NE2 3.45Å; R519-H525 PolarHBondContact NH1-CE1 2.69Å; R519-H525 PolarHBondContact NH2-CE1 3.19Å; R519-H525 VanDerWaalsContact NH2-CE1 3.3Å; R519-H525 PolarHBondContact NH2-NE2 3.38Å; R519-H525 VanDerWaalsContact NH2-NE2 3.13Å; H525-N538 PolarHBondContact O-OD1 3.49Å; H525-Q714 PolarHBondContact CD2-OE1 3.43Å
526L94.1Very high91.8Very high1 Ų151.7 Ų51.71%0.00526%0.264CS..PPolyproline II helixtrans-78124.4177.3-59.7-178.2000110.3I517 D518 V524 N538 S541 L542 T545 C712 D713 Q714I517-L526 HydrophobicContact CG2-CD1 3.9Å; D518-L526 PolarHBondContact O-N 2.88Å; V524-L526 PolarHBondContact O-N 3.17Å; L526-N538 WeakPolarHBondContact CA-OD1 3.33Å; L526-S541 WeakPolarHBondContact CD2-OG 3.5Å; L526-L542 HydrophobicContact CD2-CB 4.32Å; L526-T545 HydrophobicContact CD1-CG2 4.12Å; L526-C712 HydrophobicContact CD1-CB 4Å; L526-D713 WeakPolarHBondContact O-CA 3.4Å; L526-Q714 PolarHBondContact O-N 2.86Å
527S93.1Very high91.7Very high5 Ų556.2 Ų56.24%0.03529%0.288CS..  trans-155133.8173.7-159.30000114.9A529 N538 D713S527-A529 VanDerWaalsContact C-N 3.33Å; S527-A529 PolarHBondContact OG-N 3.46Å; S527-N538 PolarHBondContact N-OD1 3.46Å; S527-N538 PolarHBondContact O-ND2 3.14Å; S527-N538 PolarHBondContact O-OD1 2.85Å; S527-D713 WeakPolarHBondContact CA-OD2 3.29Å
528S90.3Very high91.7Very high14 Ų1456.6 Ų56.610%0.09829%0.29CS..  trans-9216.8171.590.60000113.9G646 L647 D713 R715S528-G646 WeakPolarHBondContact OG-CA 3.48Å; S528-L647 PolarHBondContact OG-N 3.34Å; S528-D713 PolarHBondContact N-OD2 3.23Å; S528-R715 PolarHBondContact OG-NH2 3.48Å
529A89.4Confident91.7Very high20 Ų2056.1 Ų56.117%0.16529%0.288CS..SBendtrans-62.1153.9174.500000111.8S527 D531 R532 R533S527-A529 VanDerWaalsContact C-N 3.33Å; S527-A529 PolarHBondContact OG-N 3.46Å; A529-D531 WeakPolarHBondContact CB-OD1 3.46Å; A529-D531 PolarHBondContact O-N 2.99Å; A529-R532 PolarHBondContact O-N 2.9Å; A529-R532 VanDerWaalsContact O-N 3.08Å; A529-R533 VanDerWaalsContact O-CB 3.24Å; A529-R533 WeakPolarHBondContact O-CB 3.36Å; A529-R533 WeakPolarHBondContact O-CG 3.44Å; A529-R533 PolarHBondContact O-N 3.34Å
530F86.3Confident91.8Very high154 Ų15453.1 Ų53.168%0.67528%0.281SS*.THydrogen-bonded Turntrans-56.6-38.2-169-178.2-80.9000113.3R533F530-R533 PolarHBondContact O-NE 2.97Å
531D86.8Confident92Very high114 Ų11453 Ų5361%0.6128%0.28SS*.THydrogen-bonded Turntrans-71.6-36.117860.2-44.6000113.7A529A529-D531 WeakPolarHBondContact CB-OD1 3.46Å; A529-D531 PolarHBondContact O-N 2.99Å
532R88Confident92.2Very high108 Ų10850.9 Ų50.941%0.40827%0.265SS..THydrogen-bonded Turntrans-104.9-22.5-171.8-72.9172-168.9-135.3-2.7115.3A529 F534 N535 N538A529-R532 PolarHBondContact O-N 2.9Å; A529-R532 VanDerWaalsContact O-N 3.08Å; R532-F534 PolarHBondContact O-N 3.08Å; R532-N535 WeakPolarHBondContact O-CB 3.46Å; R532-N535 PolarHBondContact O-N 3.15Å; R532-N538 PolarHBondContact O-ND2 3.18Å
533R88.3Confident92.3Very high65 Ų6547.4 Ų47.425%0.24525%0.247CC..THydrogen-bonded Turntrans-57.3-21.4-174.867-172.4174.3162.27.4115.3A529 F530 L566A529-R533 VanDerWaalsContact O-CB 3.24Å; A529-R533 WeakPolarHBondContact O-CB 3.36Å; A529-R533 WeakPolarHBondContact O-CG 3.44Å; A529-R533 PolarHBondContact O-N 3.34Å; F530-R533 PolarHBondContact O-NE 2.97Å; R533-L566 HydrophobicContact CB-CD1 3.89Å; R533-L566 HydrophobicContact CB-CD2 4.34Å; R533-L566 HydrophobicContact CG-CD1 4.39Å; R533-L566 WeakPolarHBondContact O-CD1 3.44Å
534F93Very high92.6Very high69 Ų6947.1 Ų47.130%0.30324%0.238SC..THydrogen-bonded Turntrans-118.115.2177.6-59.6-44.8000113.4R532 L566 K569R532-F534 PolarHBondContact O-N 3.08Å; F534-L566 HydrophobicContact CD1-CD1 4Å; F534-L566 HydrophobicContact CE1-CD1 3.59Å; F534-L566 HydrophobicContact CZ-CD1 4.41Å; F534-K569 HydrophobicContact CD1-CD 3.75Å; F534-K569 HydrophobicContact CD1-CG 4.17Å; F534-K569 HydrophobicContact CE1-CB 4.08Å; F534-K569 HydrophobicContact CE1-CD 3.78Å; F534-K569 HydrophobicContact CE1-CG 4.14Å; F534-K569 HydrophobicContact CG-CD 4.25Å; F534-K569 HydrophobicContact CZ-CD 4.3Å
535N94.3Very high92.7Very high60 Ų6044.9 Ų44.932%0.32122%0.224SC..  trans-73.5126.5168.9176.5-28.4000108.8R532 D537 N538 M539R532-N535 WeakPolarHBondContact O-CB 3.46Å; R532-N535 PolarHBondContact O-N 3.15Å; N535-D537 VanDerWaalsContact C-N 3.26Å; N535-D537 PolarHBondContact O-N 3.22Å; N535-D537 WeakPolarHBondContact OD1-CB 3.5Å; N535-D537 PolarHBondContact OD1-N 3.49Å; N535-D537 PolarHBondContact OD1-OD2 2.84Å; N535-N538 HydrophobicContact CB-CB 4.33Å; N535-N538 PolarHBondContact O-N 3.07Å; N535-N538 VanDerWaalsContact O-N 3.16Å; N535-M539 WeakPolarHBondContact O-CG 3.49Å; N535-M539 PolarHBondContact O-N 3.49Å
536P93.6Very high92.8Very high70 Ų7041.7 Ų41.746%0.45521%0.209SC..Hα-helixtrans-49.9-39.2176.8-29.536.9000114.8N538 M539 T540 F573P536-N538 PolarHBondContact O-N 3.33Å; P536-M539 PolarHBondContact O-N 3.18Å; P536-T540 VanDerWaalsContact O-CB 3.22Å; P536-T540 WeakPolarHBondContact O-CB 3.41Å; P536-T540 PolarHBondContact O-N 3.19Å; P536-T540 PolarHBondContact O-OG1 3.32Å; P536-F573 HydrophobicContact CB-CE2 4.02Å; P536-F573 HydrophobicContact CB-CZ 3.89Å
537D94.1Very high92.8Very high98 Ų9841.7 Ų41.752%0.52421%0.209SC..Hα-helixtrans-62.5-46.6-179.6-54.2-36.2000111.1V524 N535 T540 S541V524-D537 HydrophobicContact CG1-CB 4.16Å; N535-D537 VanDerWaalsContact C-N 3.26Å; N535-D537 PolarHBondContact O-N 3.22Å; N535-D537 WeakPolarHBondContact OD1-CB 3.5Å; N535-D537 PolarHBondContact OD1-N 3.49Å; N535-D537 PolarHBondContact OD1-OD2 2.84Å; D537-T540 PolarHBondContact O-N 2.95Å; D537-S541 WeakPolarHBondContact O-CB 3.22Å; D537-S541 PolarHBondContact O-N 3.15Å
538N94.1Very high92.9Very high12 Ų1243.1 Ų43.16%0.06422%0.216CC..Hα-helixtrans-67.2-38.4179175.163.2000111.2H525 L526 S527 R532 N535 P536 L542H525-N538 PolarHBondContact O-OD1 3.49Å; L526-N538 WeakPolarHBondContact CA-OD1 3.33Å; S527-N538 PolarHBondContact N-OD1 3.46Å; S527-N538 PolarHBondContact O-ND2 3.14Å; S527-N538 PolarHBondContact O-OD1 2.85Å; R532-N538 PolarHBondContact O-ND2 3.18Å; N535-N538 HydrophobicContact CB-CB 4.33Å; N535-N538 PolarHBondContact O-N 3.07Å; N535-N538 VanDerWaalsContact O-N 3.16Å; P536-N538 PolarHBondContact O-N 3.33Å; N538-L542 VanDerWaalsContact O-CB 3.27Å; N538-L542 WeakPolarHBondContact O-CB 3.27Å; N538-L542 PolarHBondContact O-N 3.45Å
539M94.8Very high93.1Very high5 Ų542.4 Ų42.43%0.02521%0.212CC..Hα-helixtrans-69.1-40.4176.2-63.6170.676.500111.8N535 P536 G543 K569 F573 W574N535-M539 WeakPolarHBondContact O-CG 3.49Å; N535-M539 PolarHBondContact O-N 3.49Å; P536-M539 PolarHBondContact O-N 3.18Å; M539-G543 PolarHBondContact O-N 3.37Å; M539-K569 HydrophobicContact CE-CG 4.23Å; M539-K569 WeakPolarHBondContact CE-O 3.45Å; M539-F573 HydrophobicContact CB-CD1 3.64Å; M539-F573 HydrophobicContact CB-CE1 3.73Å; M539-F573 HydrophobicContact CB-CG 4.42Å; M539-F573 HydrophobicContact CE-CB 3.52Å; M539-F573 HydrophobicContact CE-CD1 4.12Å; M539-F573 HydrophobicContact CE-CG 3.81Å; M539-F573 HydrophobicContact SD-CG 4.44Å; M539-W574 PolarHBondContact O-NE1 3.05Å
540T95.4Very high93.3Very high41 Ų4141.7 Ų41.725%0.25221%0.205SC..Hα-helixtrans-63-48.8174.2-60.90000111.1P536 D537 L542 G543 N544 F573P536-T540 VanDerWaalsContact O-CB 3.22Å; P536-T540 WeakPolarHBondContact O-CB 3.41Å; P536-T540 PolarHBondContact O-N 3.19Å; P536-T540 PolarHBondContact O-OG1 3.32Å; D537-T540 PolarHBondContact O-N 2.95Å; T540-L542 PolarHBondContact O-N 3.42Å; T540-G543 PolarHBondContact O-N 2.92Å; T540-G543 VanDerWaalsContact O-N 3.17Å; T540-N544 PolarHBondContact O-N 3.09Å; T540-N544 PolarHBondContact O-ND2 3.03Å; T540-F573 WeakPolarHBondContact OG1-CE1 3.4Å
541S95.8Very high93.6Very high0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-63.7-40.2179.1-1730000112.3G520 D522 L526 D537 N544 T545G520-S541 WeakPolarHBondContact CA-OG 3.43Å; D522-S541 VanDerWaalsContact OD1-CB 3.26Å; D522-S541 WeakPolarHBondContact OD1-CB 3.44Å; D522-S541 PolarHBondContact OD1-OG 3.01Å; D522-S541 VanDerWaalsContact OD2-CA 3.3Å; D522-S541 WeakPolarHBondContact OD2-CA 3.44Å; D522-S541 WeakPolarHBondContact OD2-CB 3.2Å; D522-S541 PolarHBondContact OD2-OG 3.01Å; L526-S541 WeakPolarHBondContact CD2-OG 3.5Å; D537-S541 WeakPolarHBondContact O-CB 3.22Å; D537-S541 PolarHBondContact O-N 3.15Å; S541-N544 PolarHBondContact O-N 3.47Å; S541-T545 VanDerWaalsContact O-CB 3.32Å; S541-T545 WeakPolarHBondContact O-CB 3.38Å; S541-T545 PolarHBondContact O-N 2.86Å; S541-T545 PolarHBondContact O-OG1 3.41Å
542L96Very high93.9Very high13 Ų1337.5 Ų37.57%0.06818%0.179CC..Hα-helixtrans-64.6-40.6172.5-175.167.1000111.8L526 N538 T540 T545 V546 F561 W574 T645 C712L526-L542 HydrophobicContact CD2-CB 4.32Å; N538-L542 VanDerWaalsContact O-CB 3.27Å; N538-L542 WeakPolarHBondContact O-CB 3.27Å; N538-L542 PolarHBondContact O-N 3.45Å; T540-L542 PolarHBondContact O-N 3.42Å; L542-T545 WeakPolarHBondContact O-CB 3.45Å; L542-T545 PolarHBondContact O-N 3.44Å; L542-V546 WeakPolarHBondContact O-CG2 3.32Å; L542-V546 PolarHBondContact O-N 3.24Å; L542-F561 HydrophobicContact CD2-CE1 4.24Å; L542-F561 HydrophobicContact CD2-CZ 4.47Å; L542-W574 HydrophobicContact CB-CZ2 4.27Å; L542-W574 HydrophobicContact CD2-CZ2 4.16Å; L542-W574 HydrophobicContact CG-CH2 4.49Å; L542-W574 HydrophobicContact CG-CZ2 3.96Å; L542-T645 HydrophobicContact CD1-CG2 4.1Å; L542-T645 HydrophobicContact CD2-CG2 4.22Å; L542-C712 HydrophobicContact CD1-CB 4.27Å
543G95.3Very high94.2Very high0 Ų032.5 Ų32.50%016%0.161CC..Hα-helixtrans-63.4-43.617500000112.4M539 T540 T545 A547 W574M539-G543 PolarHBondContact O-N 3.37Å; T540-G543 PolarHBondContact O-N 2.92Å; T540-G543 VanDerWaalsContact O-N 3.17Å; G543-T545 VanDerWaalsContact C-N 3.32Å; G543-T545 PolarHBondContact O-N 3.13Å; G543-A547 WeakPolarHBondContact O-CB 3.43Å; G543-A547 PolarHBondContact O-N 3.03Å; G543-W574 VanDerWaalsContact CA-CE2 3.41Å
544N94.9Very high94.4Very high27 Ų2730.4 Ų30.414%0.14416%0.156CC..Hα-helixtrans-62.9-36.1171.9-74.4-32.9000112.5P521 D522 T540 S541 N548 R582P521-N544 HydrophobicContact CG-CB 4Å; D522-N544 PolarHBondContact OD2-ND2 3.31Å; T540-N544 PolarHBondContact O-N 3.09Å; T540-N544 PolarHBondContact O-ND2 3.03Å; S541-N544 PolarHBondContact O-N 3.47Å; N544-N548 PolarHBondContact O-N 3.5Å; N544-N548 PolarHBondContact O-ND2 2.64Å; N544-R582 PolarHBondContact OD1-NH1 3Å; N544-R582 PolarHBondContact OD1-NH2 3.13Å
545T95.8Very high94.3Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-64.7-55.6176.2-630000110.9I517 G520 P521 L526 S541 L542 G543 A547 N548 L549 F739I517-T545 HydrophobicContact CG2-CG2 4.39Å; G520-T545 WeakPolarHBondContact CA-OG1 3.46Å; P521-T545 WeakPolarHBondContact CD-OG1 3.47Å; L526-T545 HydrophobicContact CD1-CG2 4.12Å; S541-T545 VanDerWaalsContact O-CB 3.32Å; S541-T545 WeakPolarHBondContact O-CB 3.38Å; S541-T545 PolarHBondContact O-N 2.86Å; S541-T545 PolarHBondContact O-OG1 3.41Å; L542-T545 WeakPolarHBondContact O-CB 3.45Å; L542-T545 PolarHBondContact O-N 3.44Å; G543-T545 VanDerWaalsContact C-N 3.32Å; G543-T545 PolarHBondContact O-N 3.13Å; T545-A547 PolarHBondContact O-N 3.03Å; T545-N548 PolarHBondContact O-N 3.18Å; T545-L549 HydrophobicContact CG2-CD1 4.12Å; T545-L549 WeakPolarHBondContact O-CG 3.3Å; T545-L549 PolarHBondContact O-N 3.37Å; T545-F739 HydrophobicContact CG2-CE2 3.97Å
546V96.1Very high94.3Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-60-47.3179.2173.30000110.6L542 N548 L549 S550 V559 W574 I583 F621 I643L542-V546 WeakPolarHBondContact O-CG2 3.32Å; L542-V546 PolarHBondContact O-N 3.24Å; V546-N548 VanDerWaalsContact C-N 3.29Å; V546-N548 PolarHBondContact O-N 3.48Å; V546-L549 PolarHBondContact O-N 3.08Å; V546-L549 VanDerWaalsContact O-N 3.1Å; V546-S550 PolarHBondContact O-N 3.27Å; V546-S550 PolarHBondContact O-OG 3.31Å; V546-S550 VanDerWaalsContact O-OG 3.1Å; V546-V559 HydrophobicContact CG1-CG2 4.38Å; V546-V559 HydrophobicContact CG2-CG1 4.37Å; V546-W574 HydrophobicContact CB-CH2 4.26Å; V546-W574 HydrophobicContact CG2-CH2 4.02Å; V546-I583 HydrophobicContact CG1-CD1 4.08Å; V546-F621 HydrophobicContact CG1-CZ 4.1Å; V546-I643 HydrophobicContact CG1-CD1 4.36Å; V546-I643 HydrophobicContact CG2-CD1 4.14Å; V546-I643 HydrophobicContact CG2-CG2 4.44Å
547A94.7Very high94.4Very high1 Ų123.6 Ų23.61%0.00812%0.117CC..Hα-helixtrans-57.7-37.9178.400000113.2G543 T545 I583 M586G543-A547 WeakPolarHBondContact O-CB 3.43Å; G543-A547 PolarHBondContact O-N 3.03Å; T545-A547 PolarHBondContact O-N 3.03Å; A547-I583 HydrophobicContact CB-CG1 3.96Å; A547-M586 HydrophobicContact CB-CE 4.13Å; A547-M586 WeakPolarHBondContact O-CE 3.33Å
548N94.4Very high94.5Very high34 Ų3419 Ų1918%0.1829%0.092CC..Hα-helixtrans-75.2-33.1176.5-77.4-65.7000113N544 T545 V546 R551 F739N544-N548 PolarHBondContact O-N 3.5Å; N544-N548 PolarHBondContact O-ND2 2.64Å; T545-N548 PolarHBondContact O-N 3.18Å; V546-N548 VanDerWaalsContact C-N 3.29Å; V546-N548 PolarHBondContact O-N 3.48Å; N548-R551 WeakPolarHBondContact O-CB 3.46Å; N548-R551 PolarHBondContact O-N 2.96Å; N548-R551 PolarHBondContact OD1-NH1 2.93Å; N548-F739 HydrophobicContact CB-CE1 3.72Å; N548-F739 HydrophobicContact CB-CZ 3.88Å
549L94.8Very high94.7Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-69.7-37.7174.2-66.6173.2000112I517 T545 V546 R551 V552 V553 I643 F710I517-L549 HydrophobicContact CD1-CD1 4.04Å; T545-L549 HydrophobicContact CG2-CD1 4.12Å; T545-L549 WeakPolarHBondContact O-CG 3.3Å; T545-L549 PolarHBondContact O-N 3.37Å; V546-L549 PolarHBondContact O-N 3.08Å; V546-L549 VanDerWaalsContact O-N 3.1Å; L549-R551 PolarHBondContact O-N 3.25Å; L549-V552 WeakPolarHBondContact O-CG2 3.32Å; L549-V552 PolarHBondContact O-N 3.24Å; L549-V553 PolarHBondContact O-N 3.22Å; L549-I643 HydrophobicContact CB-CD1 3.91Å; L549-I643 HydrophobicContact CD1-CD1 3.67Å; L549-I643 HydrophobicContact CD1-CG1 3.98Å; L549-I643 HydrophobicContact CG-CD1 4.45Å; L549-F710 HydrophobicContact CD1-CB 4.1Å; L549-F710 HydrophobicContact CD1-CD1 4.09Å; L549-F710 HydrophobicContact CD1-CD2 4.16Å; L549-F710 HydrophobicContact CD1-CG 3.82Å; L549-F710 HydrophobicContact CD2-CD1 3.94Å; L549-F710 HydrophobicContact CD2-CE1 3.76Å; L549-F710 HydrophobicContact CD2-CE2 4.42Å; L549-F710 HydrophobicContact CD2-CG 4.38Å; L549-F710 HydrophobicContact CD2-CZ 4.01Å
550S93.8Very high94.8Very high4 Ų418.2 Ų18.23%0.0289%0.088CC..Hα-helixtrans-60.3-13.2172.6-60.40000114.4V546 L557 K587V546-S550 PolarHBondContact O-N 3.27Å; V546-S550 PolarHBondContact O-OG 3.31Å; V546-S550 VanDerWaalsContact O-OG 3.1Å; S550-L557 WeakPolarHBondContact OG-CD2 3.23Å; S550-K587 WeakPolarHBondContact O-CE 3.22Å
551R91.8Very high94.8Very high153 Ų15316.3 Ų16.358%0.5778%0.076SC*.Hα-helixtrans-83.4-29.8173.4-67.7169.5174.5178.8-13.5113.5N548 L549 M586N548-R551 WeakPolarHBondContact O-CB 3.46Å; N548-R551 PolarHBondContact O-N 2.96Å; N548-R551 PolarHBondContact OD1-NH1 2.93Å; L549-R551 PolarHBondContact O-N 3.25Å; R551-M586 HydrophobicContact CG-CE 3.95Å; R551-M586 HydrophobicContact CG-SD 3.36Å; R551-M586 WeakPolarHBondContact CG-SD 3.49Å; R551-M586 PolarHBondContact NE-SD 2.73Å
552V93.3Very high94.8Very high27 Ų2717.1 Ų17.116%0.1648%0.082CC..Hα-helixtrans-111.2-20.9-168.9-65.40000113.9L549 P554 V743 V746 S747 F750L549-V552 WeakPolarHBondContact O-CG2 3.32Å; L549-V552 PolarHBondContact O-N 3.24Å; V552-P554 WeakPolarHBondContact O-CD 3.36Å; V552-V743 HydrophobicContact CG1-CG1 3.83Å; V552-V746 HydrophobicContact CB-CG1 4.16Å; V552-V746 HydrophobicContact CG2-CB 4.35Å; V552-V746 HydrophobicContact CG2-CG1 3.63Å; V552-S747 VanDerWaalsContact CG1-OG 3.25Å; V552-S747 WeakPolarHBondContact CG1-OG 3.49Å; V552-F750 WeakPolarHBondContact O-CD2 3.34Å
553V94.1Very high94.6Very high3 Ų318.4 Ų18.42%0.0189%0.092CC..SBendtrans-78120.7169.71790000109.3L549 L557 K587 R640 F710 F750L549-V553 PolarHBondContact O-N 3.22Å; V553-L557 HydrophobicContact CB-CD1 4.41Å; V553-L557 HydrophobicContact CG1-CB 4.32Å; V553-L557 HydrophobicContact CG1-CD1 4.22Å; V553-L557 HydrophobicContact CG2-CD1 4.2Å; V553-K587 WeakPolarHBondContact O-CE 3.46Å; V553-K587 PolarHBondContact O-NZ 2.91Å; V553-R640 HydrophobicContact CG1-CB 4.3Å; V553-F710 HydrophobicContact CG2-CE2 3.82Å; V553-F710 HydrophobicContact CG2-CZ 4.23Å; V553-F750 HydrophobicContact CB-CE2 4.28Å; V553-F750 HydrophobicContact CB-CZ 4.49Å; V553-F750 HydrophobicContact CG1-CE2 4.47Å; V553-F750 HydrophobicContact CG1-CZ 4.19Å; V553-F750 HydrophobicContact CG2-CE2 3.93Å; V553-F750 HydrophobicContact CG2-CZ 4.29Å
554P91.9Very high94.5Very high22 Ų2220.5 Ų20.514%0.14310%0.101CC..  trans-76.5156.2175.933.9-35.9000111.3V552 G556 R640 F750V552-P554 WeakPolarHBondContact O-CD 3.36Å; P554-G556 PolarHBondContact O-N 3.49Å; P554-R640 HydrophobicContact CG-CB 4.43Å; P554-R640 HydrophobicContact CG-CG 4.46Å; P554-R640 WeakPolarHBondContact O-CB 3.26Å; P554-F750 HydrophobicContact CG-CB 4.47Å; P554-F750 HydrophobicContact CG-CD1 3.75Å; P554-F750 HydrophobicContact CG-CE1 4.1Å; P554-F750 HydrophobicContact CG-CG 4.08Å
555H92.6Very high94.3Very high55 Ų5523 Ų2326%0.25512%0.119SC..SBendtrans53.2-125.7175.5-50.3-77000114.1K587 V610 K616 T637 R640H555-K587 PolarHBondContact O-NZ 3.01Å; H555-V610 HydrophobicContact CB-CG1 4.27Å; H555-K616 PolarHBondContact N-O 2.98Å; H555-T637 HydrophobicContact CB-CG2 4.26Å; H555-T637 WeakPolarHBondContact CB-O 3.3Å; H555-R640 HydrophobicContact CB-CG 4.47Å
556G94.3Very high94.2Very high0 Ų023.5 Ų23.50%012%0.121CC..  trans-75.3132.2-176.400000114.5P554 Y606 T637 R640 G641P554-G556 PolarHBondContact O-N 3.49Å; G556-Y606 WeakPolarHBondContact CA-OH 3.27Å; G556-T637 WeakPolarHBondContact CA-O 3.09Å; G556-T637 PolarHBondContact N-O 2.7Å; G556-R640 PolarHBondContact O-N 3.27Å; G556-G641 PolarHBondContact O-N 3.2Å
557L95.8Very high94.1Very high0 Ų023.7 Ų23.70%012%0.122CC..EExtended strand (participates in β ladder)trans-123121.9171.7174.561000110.1S550 V553 V559 K587 G618 S619 F620 I643S550-L557 WeakPolarHBondContact OG-CD2 3.23Å; V553-L557 HydrophobicContact CB-CD1 4.41Å; V553-L557 HydrophobicContact CG1-CB 4.32Å; V553-L557 HydrophobicContact CG1-CD1 4.22Å; V553-L557 HydrophobicContact CG2-CD1 4.2Å; L557-V559 HydrophobicContact CD2-CG2 4.46Å; L557-V559 HydrophobicContact CG-CG2 4.14Å; L557-K587 HydrophobicContact CB-CD 4.19Å; L557-G618 PolarHBondContact N-O 2.6Å; L557-G618 VanDerWaalsContact N-O 3.16Å; L557-S619 CarbonylContact O-C 3.54Å; L557-S619 VanDerWaalsContact O-CA 3.27Å; L557-S619 WeakPolarHBondContact O-CA 3.43Å; L557-F620 PolarHBondContact O-N 3.49Å; L557-I643 HydrophobicContact CD1-CD1 3.93Å; L557-I643 HydrophobicContact CD1-CG1 4.02Å; L557-I643 HydrophobicContact CD2-CD1 4.12Å; L557-I643 HydrophobicContact CG-CD1 4.42Å
558L96Very high94.1Very high1 Ų127.1 Ų27.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-99.6133.5176.8-50.6179.6000110F560 Y606 F620 F634 G641 V642 I643 R698L558-F560 HydrophobicContact CB-CD2 4.33Å; L558-F560 HydrophobicContact CB-CE2 3.75Å; L558-F560 HydrophobicContact CB-CZ 4.43Å; L558-F560 HydrophobicContact CD1-CE2 4.14Å; L558-F560 HydrophobicContact CD1-CZ 4.43Å; L558-Y606 HydrophobicContact CD2-CE1 4.38Å; L558-Y606 WeakPolarHBondContact CD2-OH 3.37Å; L558-F620 CarbonylContact C-O 3.58Å; L558-F620 HydrophobicContact CD2-CB 3.8Å; L558-F634 HydrophobicContact CD1-CB 4.09Å; L558-F634 HydrophobicContact CD1-CD1 4.22Å; L558-F634 HydrophobicContact CD1-CD2 3.8Å; L558-F634 HydrophobicContact CD1-CE2 4.26Å; L558-F634 HydrophobicContact CD1-CG 3.78Å; L558-F634 HydrophobicContact CD2-CD1 3.87Å; L558-F634 HydrophobicContact CD2-CE1 3.81Å; L558-F634 HydrophobicContact CD2-CG 4.29Å; L558-F634 HydrophobicContact CD2-CZ 4.18Å; L558-G641 PolarHBondContact N-O 3.5Å; L558-V642 HydrophobicContact CB-CG2 3.92Å; L558-V642 HydrophobicContact CD1-CG2 3.95Å; L558-V642 HydrophobicContact CG-CG2 4.37Å; L558-V642 CarbonylContact O-C 3.52Å; L558-V642 WeakPolarHBondContact O-CA 3.42Å; L558-I643 PolarHBondContact O-N 2.88Å; L558-R698 HydrophobicContact CD1-CB 4.09Å
559V97Very high94Very high0 Ų030 Ų300%015%0.149CC..EExtended strand (participates in β ladder)trans-127.1102.4-178.1-170.10000109.5V546 L557 F561 F620 F621 A622 I643 T645V546-V559 HydrophobicContact CG1-CG2 4.38Å; V546-V559 HydrophobicContact CG2-CG1 4.37Å; L557-V559 HydrophobicContact CD2-CG2 4.46Å; L557-V559 HydrophobicContact CG-CG2 4.14Å; V559-F561 HydrophobicContact CG1-CD2 4.32Å; V559-F561 HydrophobicContact CG1-CE2 3.74Å; V559-F620 PolarHBondContact N-O 2.81Å; V559-F621 HydrophobicContact CB-CD1 3.93Å; V559-F621 HydrophobicContact CB-CE1 3.84Å; V559-F621 HydrophobicContact CB-CG 4.35Å; V559-F621 HydrophobicContact CB-CZ 4.21Å; V559-F621 HydrophobicContact CG1-CD1 4.07Å; V559-F621 HydrophobicContact CG1-CE1 3.76Å; V559-F621 HydrophobicContact CG1-CZ 4.43Å; V559-F621 HydrophobicContact CG2-CE1 4.05Å; V559-F621 HydrophobicContact CG2-CE2 4.25Å; V559-F621 HydrophobicContact CG2-CZ 3.91Å; V559-A622 PolarHBondContact O-N 2.95Å; V559-I643 HydrophobicContact CG1-CB 4.23Å; V559-I643 HydrophobicContact CG1-CG2 4.25Å; V559-I643 HydrophobicContact CG2-CB 4.43Å; V559-I643 HydrophobicContact CG2-CD1 4.27Å; V559-T645 HydrophobicContact CG1-CG2 3.75Å
560F97.1Very high94.1Very high1 Ų130.1 Ų30.10%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-97.5123.5-176.3-69.6-80.7000112.2L558 A622 A628 V642 I643 I644 T645 A695 R698L558-F560 HydrophobicContact CB-CD2 4.33Å; L558-F560 HydrophobicContact CB-CE2 3.75Å; L558-F560 HydrophobicContact CB-CZ 4.43Å; L558-F560 HydrophobicContact CD1-CE2 4.14Å; L558-F560 HydrophobicContact CD1-CZ 4.43Å; F560-A622 CarbonylContact C-O 3.59Å; F560-A622 WeakPolarHBondContact CA-O 3.41Å; F560-A622 HydrophobicContact CD1-CB 3.48Å; F560-A622 VanDerWaalsContact CD1-CB 3.48Å; F560-A622 HydrophobicContact CE1-CB 3.43Å; F560-A622 VanDerWaalsContact CE1-CB 3.43Å; F560-A622 HydrophobicContact CG-CB 4.38Å; F560-A622 HydrophobicContact CZ-CB 4.32Å; F560-A628 HydrophobicContact CE1-CB 4.4Å; F560-V642 HydrophobicContact CD2-CG1 4.13Å; F560-V642 HydrophobicContact CE2-CG1 4.49Å; F560-V642 HydrophobicContact CE2-CG2 4.16Å; F560-I643 PolarHBondContact N-O 3.23Å; F560-I644 HydrophobicContact CB-CD1 4.04Å; F560-I644 HydrophobicContact CD2-CD1 4.26Å; F560-T645 PolarHBondContact O-N 3.49Å; F560-T645 PolarHBondContact O-OG1 3.25Å; F560-A695 HydrophobicContact CB-CB 4.38Å; F560-A695 HydrophobicContact CD1-CB 4.32Å; F560-A695 HydrophobicContact CD2-CB 3.81Å; F560-A695 HydrophobicContact CE2-CB 4.12Å; F560-A695 HydrophobicContact CG-CB 3.92Å; F560-R698 HydrophobicContact CZ-CG 4.46Å
561F96.3Very high94.1Very high1 Ų130 Ų300%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-95.7149.9176.5-80.8-101.9000112.7L542 V559 S563 L566 M567 T570 W574 F621 A622 V623 C624 T645L542-F561 HydrophobicContact CD2-CE1 4.24Å; L542-F561 HydrophobicContact CD2-CZ 4.47Å; V559-F561 HydrophobicContact CG1-CD2 4.32Å; V559-F561 HydrophobicContact CG1-CE2 3.74Å; F561-S563 VanDerWaalsContact C-N 3.28Å; F561-S563 PolarHBondContact O-N 3.2Å; F561-L566 HydrophobicContact CD1-CG 4.34Å; F561-M567 HydrophobicContact CB-CB 3.82Å; F561-M567 HydrophobicContact CB-CG 4.28Å; F561-M567 HydrophobicContact CD1-CB 4.08Å; F561-M567 HydrophobicContact CD1-CG 4.45Å; F561-M567 HydrophobicContact CD2-CB 4.25Å; F561-M567 HydrophobicContact CD2-CG 3.88Å; F561-M567 HydrophobicContact CD2-SD 4.35Å; F561-M567 HydrophobicContact CE2-CG 4.35Å; F561-M567 HydrophobicContact CG-CB 3.78Å; F561-M567 HydrophobicContact CG-CG 3.94Å; F561-T570 HydrophobicContact CE1-CG2 3.95Å; F561-T570 HydrophobicContact CZ-CG2 4.22Å; F561-W574 HydrophobicContact CZ-CH2 4.09Å; F561-F621 AromaticContact CE2-CD1 3.77Å; F561-F621 HydrophobicContact CE2-CD1 3.77Å; F561-F621 HydrophobicContact CE2-CE1 4.1Å; F561-A622 PolarHBondContact N-O 3.27Å; F561-V623 WeakPolarHBondContact O-CA 3.41Å; F561-C624 PolarHBondContact O-N 3.32Å; F561-C624 PolarHBondContact O-SG 3.47Å; F561-C624 VanDerWaalsContact O-SG 3.4Å; F561-T645 WeakPolarHBondContact CA-OG1 3.48Å; F561-T645 VanDerWaalsContact CD1-OG1 3.3Å; F561-T645 WeakPolarHBondContact CD1-OG1 3.29Å; F561-T645 HydrophobicContact CD2-CG2 4.28Å; F561-T645 HydrophobicContact CE1-CG2 4.33Å; F561-T645 HydrophobicContact CE2-CG2 3.96Å; F561-T645 WeakPolarHBondContact CG-OG1 3.39Å; F561-T645 HydrophobicContact CZ-CG2 4.01Å
562P94.3Very high94.3Very high18 Ų1827 Ų2712%0.11714%0.141CC..SBendtrans-57.6-29.9175.2-31.236.5000116.4L566 T645 P648P562-L566 HydrophobicContact CB-CD2 4.11Å; P562-L566 HydrophobicContact CG-CD2 3.89Å; P562-T645 WeakPolarHBondContact CD-OG1 3.47Å; P562-P648 HydrophobicContact CB-CB 4.46Å
563S92.6Very high94.4Very high40 Ų4027.8 Ų27.828%0.2814%0.142SC..  trans-165.5157.4179.665.70000112.2F561 L566 M567F561-S563 VanDerWaalsContact C-N 3.28Å; F561-S563 PolarHBondContact O-N 3.2Å; S563-L566 PolarHBondContact O-N 3.37Å; S563-M567 PolarHBondContact O-N 3.13Å
564F92.3Very high94.5Very high44 Ų4427.6 Ų27.619%0.19314%0.142CC..Hα-helixtrans-54.8-48.5176.7-74.6-82.7000113.5L566 M567 E568 E592 K594 V623F564-L566 PolarHBondContact O-N 3.22Å; F564-M567 HydrophobicContact CD1-CE 3.85Å; F564-M567 HydrophobicContact CE1-CE 4.12Å; F564-M567 WeakPolarHBondContact O-CB 3.47Å; F564-M567 PolarHBondContact O-N 3.08Å; F564-M567 VanDerWaalsContact O-N 3.07Å; F564-E568 WeakPolarHBondContact O-CB 3.23Å; F564-E568 WeakPolarHBondContact O-CG 3.26Å; F564-E568 PolarHBondContact O-N 2.9Å; F564-E592 HydrophobicContact CE1-CB 4.46Å; F564-E592 HydrophobicContact CE1-CG 4.14Å; F564-E592 HydrophobicContact CZ-CG 4.13Å; F564-K594 HydrophobicContact CD1-CG 3.74Å; F564-K594 HydrophobicContact CE1-CG 3.94Å; F564-K594 HydrophobicContact CG-CG 4.07Å; F564-K594 HydrophobicContact CZ-CG 4.42Å; F564-V623 HydrophobicContact CB-CG2 4.4Å; F564-V623 HydrophobicContact CD1-CG2 3.71Å; F564-V623 HydrophobicContact CD2-CB 4.17Å; F564-V623 HydrophobicContact CD2-CG1 4.04Å; F564-V623 HydrophobicContact CD2-CG2 3.93Å; F564-V623 HydrophobicContact CE1-CB 4.4Å; F564-V623 HydrophobicContact CE1-CG2 3.82Å; F564-V623 HydrophobicContact CE2-CB 3.94Å; F564-V623 HydrophobicContact CE2-CG1 4.08Å; F564-V623 HydrophobicContact CE2-CG2 4.04Å; F564-V623 HydrophobicContact CG-CB 4.49Å; F564-V623 HydrophobicContact CG-CG2 3.75Å; F564-V623 HydrophobicContact CZ-CB 4.06Å; F564-V623 HydrophobicContact CZ-CG2 3.98Å
565P92.1Very high94.6Very high80 Ų8029.7 Ų29.752%0.51915%0.146SC..Hα-helixtrans-63.9-26-179.4-23.535.5000114.1K569P565-K569 WeakPolarHBondContact O-CB 3.35Å; P565-K569 PolarHBondContact O-N 2.94Å
566L92.7Very high94.7Very high10 Ų1031.1 Ų31.15%0.05217%0.168CC..Hα-helixtrans-76.9-41.7172.9-178.956.3000111.2R533 F534 F561 P562 S563 F564 T570R533-L566 HydrophobicContact CB-CD1 3.89Å; R533-L566 HydrophobicContact CB-CD2 4.34Å; R533-L566 HydrophobicContact CG-CD1 4.39Å; R533-L566 WeakPolarHBondContact O-CD1 3.44Å; F534-L566 HydrophobicContact CD1-CD1 4Å; F534-L566 HydrophobicContact CE1-CD1 3.59Å; F534-L566 HydrophobicContact CZ-CD1 4.41Å; F561-L566 HydrophobicContact CD1-CG 4.34Å; P562-L566 HydrophobicContact CB-CD2 4.11Å; P562-L566 HydrophobicContact CG-CD2 3.89Å; S563-L566 PolarHBondContact O-N 3.37Å; F564-L566 PolarHBondContact O-N 3.22Å; L566-T570 VanDerWaalsContact O-CB 3.25Å; L566-T570 WeakPolarHBondContact O-CB 3.42Å; L566-T570 PolarHBondContact O-N 3.1Å; L566-T570 VanDerWaalsContact O-N 3.08Å; L566-T570 PolarHBondContact O-OG1 3.27Å
567M94.5Very high94.6Very high3 Ų335.3 Ų35.32%0.01519%0.19CC..Hα-helixtrans-59.8-52.5174.5-171.8176.571.200111.3F561 S563 F564 T570 L571 V591 F621 V623F561-M567 HydrophobicContact CB-CB 3.82Å; F561-M567 HydrophobicContact CB-CG 4.28Å; F561-M567 HydrophobicContact CD1-CB 4.08Å; F561-M567 HydrophobicContact CD1-CG 4.45Å; F561-M567 HydrophobicContact CD2-CB 4.25Å; F561-M567 HydrophobicContact CD2-CG 3.88Å; F561-M567 HydrophobicContact CD2-SD 4.35Å; F561-M567 HydrophobicContact CE2-CG 4.35Å; F561-M567 HydrophobicContact CG-CB 3.78Å; F561-M567 HydrophobicContact CG-CG 3.94Å; S563-M567 PolarHBondContact O-N 3.13Å; F564-M567 HydrophobicContact CD1-CE 3.85Å; F564-M567 HydrophobicContact CE1-CE 4.12Å; F564-M567 WeakPolarHBondContact O-CB 3.47Å; F564-M567 PolarHBondContact O-N 3.08Å; F564-M567 VanDerWaalsContact O-N 3.07Å; M567-T570 PolarHBondContact O-N 3.23Å; M567-L571 HydrophobicContact CG-CD1 3.85Å; M567-L571 HydrophobicContact CG-CG 4.37Å; M567-L571 WeakPolarHBondContact O-CG 3.5Å; M567-L571 PolarHBondContact O-N 2.61Å; M567-V591 HydrophobicContact CE-CG1 3.66Å; M567-V591 HydrophobicContact SD-CG1 4.1Å; M567-F621 HydrophobicContact SD-CB 4.37Å; M567-V623 HydrophobicContact CB-CG2 4.41Å; M567-V623 HydrophobicContact CE-CG2 4.01Å; M567-V623 HydrophobicContact SD-CG2 3.97Å
568E93.8Very high94.4Very high73 Ų7336.4 Ų36.434%0.34120%0.202SC..Hα-helixtrans-59.1-52.7-175.9-70.1169.7133.800111.8F564 T570 L571 E572 K594F564-E568 WeakPolarHBondContact O-CB 3.23Å; F564-E568 WeakPolarHBondContact O-CG 3.26Å; F564-E568 PolarHBondContact O-N 2.9Å; E568-T570 VanDerWaalsContact C-N 3.28Å; E568-T570 PolarHBondContact O-N 3.31Å; E568-L571 PolarHBondContact O-N 2.92Å; E568-E572 WeakPolarHBondContact O-CB 3.21Å; E568-E572 PolarHBondContact O-N 3.41Å; E568-K594 WeakPolarHBondContact OE1-CE 3.48Å; E568-K594 IonicContact OE1-NZ 2.67Å; E568-K594 PolarHBondContact OE1-NZ 3.36Å; E568-K594 WeakPolarHBondContact OE2-CE 3.28Å; E568-K594 IonicContact OE2-NZ 3.57Å; E568-K594 PolarHBondContact OE2-NZ 3.18Å
569K94.2Very high94.1Very high95 Ų9536.8 Ų36.841%0.41320%0.204SC..Hα-helixtrans-66-28.1178.2-179163.3175173.70113.2F534 M539 P565 F573F534-K569 HydrophobicContact CD1-CD 3.75Å; F534-K569 HydrophobicContact CD1-CG 4.17Å; F534-K569 HydrophobicContact CE1-CB 4.08Å; F534-K569 HydrophobicContact CE1-CD 3.78Å; F534-K569 HydrophobicContact CE1-CG 4.14Å; F534-K569 HydrophobicContact CG-CD 4.25Å; F534-K569 HydrophobicContact CZ-CD 4.3Å; M539-K569 HydrophobicContact CE-CG 4.23Å; M539-K569 WeakPolarHBondContact CE-O 3.45Å; P565-K569 WeakPolarHBondContact O-CB 3.35Å; P565-K569 PolarHBondContact O-N 2.94Å; K569-F573 WeakPolarHBondContact O-CB 3.42Å; K569-F573 PolarHBondContact O-N 3.06Å; K569-F573 VanDerWaalsContact O-N 3.13Å
570T95.4Very high93.9Very high2 Ų237 Ų371%0.01220%0.204CC..Hα-helixtrans-72.9-42.4174.2-55.60000111.5F561 L566 M567 E568 F573 W574F561-T570 HydrophobicContact CE1-CG2 3.95Å; F561-T570 HydrophobicContact CZ-CG2 4.22Å; L566-T570 VanDerWaalsContact O-CB 3.25Å; L566-T570 WeakPolarHBondContact O-CB 3.42Å; L566-T570 PolarHBondContact O-N 3.1Å; L566-T570 VanDerWaalsContact O-N 3.08Å; L566-T570 PolarHBondContact O-OG1 3.27Å; M567-T570 PolarHBondContact O-N 3.23Å; E568-T570 VanDerWaalsContact C-N 3.28Å; E568-T570 PolarHBondContact O-N 3.31Å; T570-F573 PolarHBondContact O-N 3.5Å; T570-W574 HydrophobicContact CG2-CD2 4.02Å; T570-W574 VanDerWaalsContact CG2-CE2 3.43Å; T570-W574 HydrophobicContact CG2-CG 4.46Å; T570-W574 HydrophobicContact CG2-CH2 4.25Å; T570-W574 HydrophobicContact CG2-CZ2 3.54Å; T570-W574 WeakPolarHBondContact O-CB 3.27Å; T570-W574 VanDerWaalsContact O-CG 3.23Å; T570-W574 PolarHBondContact O-N 3.31Å
571L94.8Very high93.7Very high1 Ų141.1 Ų41.11%0.00523%0.227CC..Hα-helixtrans-68.1-38.3176.5-67.5175.4000112.2M567 E568 W574 R575 M589 V591 F621M567-L571 HydrophobicContact CG-CD1 3.85Å; M567-L571 HydrophobicContact CG-CG 4.37Å; M567-L571 WeakPolarHBondContact O-CG 3.5Å; M567-L571 PolarHBondContact O-N 2.61Å; E568-L571 PolarHBondContact O-N 2.92Å; L571-W574 HydrophobicContact CD2-CE3 3.99Å; L571-W574 HydrophobicContact CD2-CZ3 4.29Å; L571-W574 PolarHBondContact O-N 2.92Å; L571-R575 WeakPolarHBondContact O-CD 3.4Å; L571-R575 VanDerWaalsContact O-CG 3.24Å; L571-R575 WeakPolarHBondContact O-CG 3.4Å; L571-R575 PolarHBondContact O-N 3.03Å; L571-M589 HydrophobicContact CD2-CE 3.48Å; L571-M589 VanDerWaalsContact CD2-CE 3.48Å; L571-V591 HydrophobicContact CD1-CG1 3.67Å; L571-V591 HydrophobicContact CD1-CG2 4Å; L571-F621 HydrophobicContact CD2-CD1 4.14Å; L571-F621 HydrophobicContact CD2-CE1 4.38Å
572E95.2Very high93.5Very high92 Ų9245.5 Ų45.543%0.4324%0.243SC..Hα-helixtrans-57.1-51.8170.9-177.6176.5-137.100111.2E568 W574 R575 A576 Y872E568-E572 WeakPolarHBondContact O-CB 3.21Å; E568-E572 PolarHBondContact O-N 3.41Å; E572-W574 PolarHBondContact O-N 3.14Å; E572-R575 PolarHBondContact O-N 3.08Å; E572-A576 PolarHBondContact O-N 2.89Å; E572-A576 VanDerWaalsContact O-N 3.11Å; E572-Y872 WeakPolarHBondContact CG-OH 3.35Å; E572-Y872 PolarHBondContact OE1-OH 3.38Å
573F96Very high93.4Very high42 Ų4244.7 Ų44.718%0.18424%0.238CC..Hα-helixtrans-62.2-38.4176179.9-95.6000113P536 M539 T540 K569 T570 A576 N577P536-F573 HydrophobicContact CB-CE2 4.02Å; P536-F573 HydrophobicContact CB-CZ 3.89Å; M539-F573 HydrophobicContact CB-CD1 3.64Å; M539-F573 HydrophobicContact CB-CE1 3.73Å; M539-F573 HydrophobicContact CB-CG 4.42Å; M539-F573 HydrophobicContact CE-CB 3.52Å; M539-F573 HydrophobicContact CE-CD1 4.12Å; M539-F573 HydrophobicContact CE-CG 3.81Å; M539-F573 HydrophobicContact SD-CG 4.44Å; T540-F573 WeakPolarHBondContact OG1-CE1 3.4Å; K569-F573 WeakPolarHBondContact O-CB 3.42Å; K569-F573 PolarHBondContact O-N 3.06Å; K569-F573 VanDerWaalsContact O-N 3.13Å; T570-F573 PolarHBondContact O-N 3.5Å; F573-A576 PolarHBondContact O-N 3.24Å; F573-N577 WeakPolarHBondContact CE2-ND2 3.15Å; F573-N577 PolarHBondContact O-N 3.06Å; F573-N577 VanDerWaalsContact O-N 3.13Å; F573-N577 PolarHBondContact O-ND2 2.89Å
574W96.1Very high93.4Very high0 Ų045 Ų450%024%0.235CC..Hα-helixtrans-69.4-30.4177.1-73.3-3.7000113.8M539 L542 G543 V546 F561 T570 L571 E572 G578 H579 T580 I583 F621M539-W574 PolarHBondContact O-NE1 3.05Å; L542-W574 HydrophobicContact CB-CZ2 4.27Å; L542-W574 HydrophobicContact CD2-CZ2 4.16Å; L542-W574 HydrophobicContact CG-CH2 4.49Å; L542-W574 HydrophobicContact CG-CZ2 3.96Å; G543-W574 VanDerWaalsContact CA-CE2 3.41Å; V546-W574 HydrophobicContact CB-CH2 4.26Å; V546-W574 HydrophobicContact CG2-CH2 4.02Å; F561-W574 HydrophobicContact CZ-CH2 4.09Å; T570-W574 HydrophobicContact CG2-CD2 4.02Å; T570-W574 VanDerWaalsContact CG2-CE2 3.43Å; T570-W574 HydrophobicContact CG2-CG 4.46Å; T570-W574 HydrophobicContact CG2-CH2 4.25Å; T570-W574 HydrophobicContact CG2-CZ2 3.54Å; T570-W574 WeakPolarHBondContact O-CB 3.27Å; T570-W574 VanDerWaalsContact O-CG 3.23Å; T570-W574 PolarHBondContact O-N 3.31Å; L571-W574 HydrophobicContact CD2-CE3 3.99Å; L571-W574 HydrophobicContact CD2-CZ3 4.29Å; L571-W574 PolarHBondContact O-N 2.92Å; E572-W574 PolarHBondContact O-N 3.14Å; W574-G578 PolarHBondContact O-N 3.41Å; W574-H579 HydrophobicContact CB-CB 3.82Å; W574-H579 HydrophobicContact CD2-CB 4.47Å; W574-H579 HydrophobicContact CG-CB 3.85Å; W574-H579 PolarHBondContact O-N 3.12Å; W574-T580 WeakPolarHBondContact CB-OG1 3.49Å; W574-T580 PolarHBondContact O-N 3.06Å; W574-T580 VanDerWaalsContact O-N 3.11Å; W574-T580 PolarHBondContact O-OG1 2.86Å; W574-I583 HydrophobicContact CE3-CD1 3.85Å; W574-I583 HydrophobicContact CZ3-CD1 3.79Å; W574-F621 HydrophobicContact CH2-CE1 4.38Å; W574-F621 AromaticContact CZ3-CE1 3.73Å; W574-F621 HydrophobicContact CZ3-CE1 3.73Å; W574-F621 HydrophobicContact CZ3-CZ 4.22Å
575R93.9Very high93.3Very high65 Ų6549.6 Ų49.625%0.24526%0.262CS..Hα-helixtrans-66.1-50.4170.1-69.3160.4-172.2149.52.7110L571 E572 N577 G578 T580 L868L571-R575 WeakPolarHBondContact O-CD 3.4Å; L571-R575 VanDerWaalsContact O-CG 3.24Å; L571-R575 WeakPolarHBondContact O-CG 3.4Å; L571-R575 PolarHBondContact O-N 3.03Å; E572-R575 PolarHBondContact O-N 3.08Å; R575-N577 PolarHBondContact O-N 3.37Å; R575-G578 PolarHBondContact O-N 3.19Å; R575-T580 HydrophobicContact CG-CG2 4.17Å; R575-T580 PolarHBondContact N-OG1 3.39Å; R575-T580 VanDerWaalsContact N-OG1 3.1Å; R575-L868 VanDerWaalsContact NH2-CD2 3.3Å
576A94.1Very high93.2Very high86 Ų8647.3 Ų47.371%0.71124%0.244SC*.Hα-helixtrans-59.9-27.8-179.500000114E572 F573E572-A576 PolarHBondContact O-N 2.89Å; E572-A576 VanDerWaalsContact O-N 3.11Å; F573-A576 PolarHBondContact O-N 3.24Å
577N92.9Very high93.2Very high87 Ų8746.9 Ų46.947%0.46524%0.242SC..THydrogen-bonded Turntrans-11116.6-176.6-66-88.2000114F573 R575 H579F573-N577 WeakPolarHBondContact CE2-ND2 3.15Å; F573-N577 PolarHBondContact O-N 3.06Å; F573-N577 VanDerWaalsContact O-N 3.13Å; F573-N577 PolarHBondContact O-ND2 2.89Å; R575-N577 PolarHBondContact O-N 3.37Å; N577-H579 PolarHBondContact O-N 3.4Å
578G90.6Very high93.1Very high23 Ų2348.3 Ų48.324%0.23725%0.251CS..THydrogen-bonded Turntrans64.712.617500000116.2W574 R575 T580 D581 R582W574-G578 PolarHBondContact O-N 3.41Å; R575-G578 PolarHBondContact O-N 3.19Å; G578-T580 VanDerWaalsContact C-N 3.33Å; G578-D581 WeakPolarHBondContact CA-OD2 3.12Å; G578-R582 WeakPolarHBondContact O-CG 3.42Å; G578-R582 PolarHBondContact O-N 3.26Å
579H91.1Very high93.1Very high10 Ų1044.9 Ų44.95%0.04624%0.235CC..Hα-helixtrans-70.6-34.3173.1-70-80.5000111.3W574 N577 R582 I583W574-H579 HydrophobicContact CB-CB 3.82Å; W574-H579 HydrophobicContact CD2-CB 4.47Å; W574-H579 HydrophobicContact CG-CB 3.85Å; W574-H579 PolarHBondContact O-N 3.12Å; N577-H579 PolarHBondContact O-N 3.4Å; H579-R582 PolarHBondContact ND1-NH1 2.97Å; H579-R582 WeakPolarHBondContact O-CB 3.32Å; H579-R582 PolarHBondContact O-N 3.1Å; H579-I583 WeakPolarHBondContact O-CG1 3.4Å; H579-I583 PolarHBondContact O-N 3.42Å; H579-I583 VanDerWaalsContact O-N 3.1Å
580T92.4Very high93.2Very high3 Ų341.2 Ų41.22%0.01822%0.219CC..Hα-helixtrans-60.9-49.7178.7-61.50000111.3W574 R575 G578 R582 I583 E584 M589 L868W574-T580 WeakPolarHBondContact CB-OG1 3.49Å; W574-T580 PolarHBondContact O-N 3.06Å; W574-T580 VanDerWaalsContact O-N 3.11Å; W574-T580 PolarHBondContact O-OG1 2.86Å; R575-T580 HydrophobicContact CG-CG2 4.17Å; R575-T580 PolarHBondContact N-OG1 3.39Å; R575-T580 VanDerWaalsContact N-OG1 3.1Å; G578-T580 VanDerWaalsContact C-N 3.33Å; T580-R582 VanDerWaalsContact C-N 3.27Å; T580-R582 PolarHBondContact O-N 3.33Å; T580-I583 PolarHBondContact O-N 3.04Å; T580-E584 PolarHBondContact O-N 3.35Å; T580-M589 HydrophobicContact CG2-CE 4.49Å; T580-M589 HydrophobicContact CG2-SD 3.96Å; T580-L868 HydrophobicContact CG2-CD1 3.31Å
581D92.4Very high93.1Very high88 Ų8841.2 Ų41.247%0.47122%0.219SC..Hα-helixtrans-60.6-40178-45.1-69.1000111.2G578 I583 E584 N585G578-D581 WeakPolarHBondContact CA-OD2 3.12Å; D581-I583 VanDerWaalsContact C-N 3.25Å; D581-I583 PolarHBondContact O-N 3.03Å; D581-E584 PolarHBondContact O-N 3.43Å; D581-N585 VanDerWaalsContact O-CB 3.29Å; D581-N585 WeakPolarHBondContact O-CB 3.37Å; D581-N585 PolarHBondContact O-N 3.26Å; D581-N585 PolarHBondContact O-ND2 2.73Å
582R91.8Very high93Very high94 Ų9441.3 Ų41.336%0.35522%0.22SC..Hα-helixtrans-60.8-34.2175.8-72.716957.6-158-4.9112.2N544 G578 H579 T580 M586N544-R582 PolarHBondContact OD1-NH1 3Å; N544-R582 PolarHBondContact OD1-NH2 3.13Å; G578-R582 WeakPolarHBondContact O-CG 3.42Å; G578-R582 PolarHBondContact O-N 3.26Å; H579-R582 PolarHBondContact ND1-NH1 2.97Å; H579-R582 WeakPolarHBondContact O-CB 3.32Å; H579-R582 PolarHBondContact O-N 3.1Å; T580-R582 VanDerWaalsContact C-N 3.27Å; T580-R582 PolarHBondContact O-N 3.33Å; R582-M586 WeakPolarHBondContact O-CE 3.35Å; R582-M586 WeakPolarHBondContact O-CG 3.46Å
583I92.8Very high92.7Very high0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-76.6-51.5175.9-64.5166.1000110.4V546 A547 W574 H579 T580 D581 N585 M586 K587 M589V546-I583 HydrophobicContact CG1-CD1 4.08Å; A547-I583 HydrophobicContact CB-CG1 3.96Å; W574-I583 HydrophobicContact CE3-CD1 3.85Å; W574-I583 HydrophobicContact CZ3-CD1 3.79Å; H579-I583 WeakPolarHBondContact O-CG1 3.4Å; H579-I583 PolarHBondContact O-N 3.42Å; H579-I583 VanDerWaalsContact O-N 3.1Å; T580-I583 PolarHBondContact O-N 3.04Å; D581-I583 VanDerWaalsContact C-N 3.25Å; D581-I583 PolarHBondContact O-N 3.03Å; I583-N585 VanDerWaalsContact C-N 3.32Å; I583-N585 PolarHBondContact O-N 2.96Å; I583-M586 PolarHBondContact O-N 2.97Å; I583-K587 PolarHBondContact O-N 2.91Å; I583-K587 VanDerWaalsContact O-O 3.1Å; I583-M589 HydrophobicContact CB-SD 3.8Å; I583-M589 HydrophobicContact CD1-SD 4.43Å; I583-M589 HydrophobicContact CG2-CG 3.76Å; I583-M589 HydrophobicContact CG2-SD 3.62Å
584E92.6Very high91.9Very high47 Ų4741.5 Ų41.522%0.2222%0.221CC..Hα-helixtrans-60.5-37.3-177.1-73.7-153.6124.100113.4T580 D581 M586 K587 M589 S866 L868T580-E584 PolarHBondContact O-N 3.35Å; D581-E584 PolarHBondContact O-N 3.43Å; E584-M586 PolarHBondContact O-N 2.73Å; E584-K587 WeakPolarHBondContact CA-O 3.38Å; E584-K587 CarbonylContact O-C 3.59Å; E584-K587 PolarHBondContact O-N 2.63Å; E584-M589 HydrophobicContact CG-CB 4.08Å; E584-M589 HydrophobicContact CG-CG 3.8Å; E584-M589 HydrophobicContact CG-SD 3.94Å; E584-S866 PolarHBondContact OE1-OG 3.11Å; E584-L868 VanDerWaalsContact CD-CD1 3.46Å; E584-L868 HydrophobicContact CG-CD1 4.25Å; E584-L868 WeakPolarHBondContact OE2-CD1 3.5Å
585N90.3Very high90.7Very high141 Ų14143 Ų4375%0.75424%0.237SC*.THydrogen-bonded Turntrans-61-9.9173.7-83-64000114.1D581 I583D581-N585 VanDerWaalsContact O-CB 3.29Å; D581-N585 WeakPolarHBondContact O-CB 3.37Å; D581-N585 PolarHBondContact O-N 3.26Å; D581-N585 PolarHBondContact O-ND2 2.73Å; I583-N585 VanDerWaalsContact C-N 3.32Å; I583-N585 PolarHBondContact O-N 2.96Å
586M89.3Confident89.3Confident31 Ų3149 Ų4915%0.15327%0.265CS..THydrogen-bonded Turntrans-116.5-41-179.9-53.6-178.6-50.200111.6A547 R551 R582 I583 E584A547-M586 HydrophobicContact CB-CE 4.13Å; A547-M586 WeakPolarHBondContact O-CE 3.33Å; R551-M586 HydrophobicContact CG-CE 3.95Å; R551-M586 HydrophobicContact CG-SD 3.36Å; R551-M586 WeakPolarHBondContact CG-SD 3.49Å; R551-M586 PolarHBondContact NE-SD 2.73Å; R582-M586 WeakPolarHBondContact O-CE 3.35Å; R582-M586 WeakPolarHBondContact O-CG 3.46Å; I583-M586 PolarHBondContact O-N 2.97Å; E584-M586 PolarHBondContact O-N 2.73Å
587K92.4Very high88Confident2 Ų248.1 Ų48.11%0.00926%0.264CS..SBendtrans-151.5120.5171.9-65.3-179.6-170.6-770108.7S550 V553 H555 L557 I583 E584 K616 G617 S619S550-K587 WeakPolarHBondContact O-CE 3.22Å; V553-K587 WeakPolarHBondContact O-CE 3.46Å; V553-K587 PolarHBondContact O-NZ 2.91Å; H555-K587 PolarHBondContact O-NZ 3.01Å; L557-K587 HydrophobicContact CB-CD 4.19Å; I583-K587 PolarHBondContact O-N 2.91Å; I583-K587 VanDerWaalsContact O-O 3.1Å; E584-K587 WeakPolarHBondContact CA-O 3.38Å; E584-K587 CarbonylContact O-C 3.59Å; E584-K587 PolarHBondContact O-N 2.63Å; K587-K616 PolarHBondContact NZ-O 3.44Å; K587-G617 WeakPolarHBondContact CA-O 3.32Å; K587-G617 WeakPolarHBondContact CB-O 3.4Å; K587-G617 WeakPolarHBondContact CG-O 3.42Å; K587-S619 WeakPolarHBondContact CB-OG 3.28Å; K587-S619 WeakPolarHBondContact CD-OG 3.18Å
588P93.4Very high87.5Confident32 Ų3247.1 Ų47.121%0.20826%0.261CS..  trans-59.1151178.822-31.9000112.6F590 K609 S619P588-F590 HydrophobicContact CB-CE2 4.29Å; P588-F590 HydrophobicContact CG-CE2 4.14Å; P588-K609 HydrophobicContact CG-CG 3.61Å; P588-S619 PolarHBondContact O-N 2.89Å
589M94.2Very high87.2Confident1 Ų146.9 Ų46.91%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-101122.3-171.3-68.9175.360.200111.9L571 T580 I583 E584 F621 T867L571-M589 HydrophobicContact CD2-CE 3.48Å; L571-M589 VanDerWaalsContact CD2-CE 3.48Å; T580-M589 HydrophobicContact CG2-CE 4.49Å; T580-M589 HydrophobicContact CG2-SD 3.96Å; I583-M589 HydrophobicContact CB-SD 3.8Å; I583-M589 HydrophobicContact CD1-SD 4.43Å; I583-M589 HydrophobicContact CG2-CG 3.76Å; I583-M589 HydrophobicContact CG2-SD 3.62Å; E584-M589 HydrophobicContact CG-CB 4.08Å; E584-M589 HydrophobicContact CG-CG 3.8Å; E584-M589 HydrophobicContact CG-SD 3.94Å; M589-F621 HydrophobicContact CB-CD2 4.39Å; M589-F621 HydrophobicContact CB-CE2 4.38Å; M589-F621 HydrophobicContact CE-CD1 4.49Å; M589-F621 HydrophobicContact CE-CD2 4.05Å; M589-F621 HydrophobicContact CE-CE1 4.22Å; M589-F621 HydrophobicContact CE-CE2 3.73Å; M589-F621 HydrophobicContact CE-CG 4.44Å; M589-F621 HydrophobicContact CE-CZ 3.83Å; M589-F621 HydrophobicContact CG-CD2 4.28Å; M589-F621 HydrophobicContact CG-CE2 3.79Å; M589-F621 HydrophobicContact SD-CE2 4.3Å; M589-T867 PolarHBondContact O-OG1 3.47Å
590F94.8Very high87Confident18 Ų1851.4 Ų51.48%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-110.8130.2172.5-60.6-88.2000107.7P588 V602 G605 Y606 K609 S619 F620 F621 T867P588-F590 HydrophobicContact CB-CE2 4.29Å; P588-F590 HydrophobicContact CG-CE2 4.14Å; F590-V602 HydrophobicContact CB-CG1 3.93Å; F590-V602 HydrophobicContact CD1-CG1 4.41Å; F590-V602 WeakPolarHBondContact CD1-O 3.16Å; F590-G605 VanDerWaalsContact CZ-O 3.28Å; F590-G605 WeakPolarHBondContact CZ-O 3.42Å; F590-Y606 AromaticContact CD2-CD2 3.83Å; F590-Y606 HydrophobicContact CD2-CD2 3.83Å; F590-Y606 HydrophobicContact CD2-CG 4.41Å; F590-Y606 HydrophobicContact CE2-CD2 4.37Å; F590-Y606 HydrophobicContact CG-CD2 4.41Å; F590-K609 HydrophobicContact CE2-CB 4.18Å; F590-K609 HydrophobicContact CZ-CB 3.97Å; F590-K609 HydrophobicContact CZ-CG 4.5Å; F590-S619 PolarHBondContact N-O 2.95Å; F590-F620 HydrophobicContact CB-CD2 3.78Å; F590-F620 HydrophobicContact CB-CE2 4.11Å; F590-F620 CarbonylContact O-C 3.35Å; F590-F620 WeakPolarHBondContact O-CA 2.96Å; F590-F621 PolarHBondContact O-N 2.64Å; F590-T867 HydrophobicContact CD1-CG2 4.05Å
591V94.3Very high86.7Confident2 Ų257.4 Ų57.41%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-125.9128.8-170.8-172.40000111M567 L571 P593 F621 L868 Q871M567-V591 HydrophobicContact CE-CG1 3.66Å; M567-V591 HydrophobicContact SD-CG1 4.1Å; L571-V591 HydrophobicContact CD1-CG1 3.67Å; L571-V591 HydrophobicContact CD1-CG2 4Å; V591-P593 VanDerWaalsContact O-CD 3.27Å; V591-P593 WeakPolarHBondContact O-CD 3.28Å; V591-F621 WeakPolarHBondContact CA-O 3.46Å; V591-F621 HydrophobicContact CB-CB 4.4Å; V591-F621 HydrophobicContact CG1-CB 4.26Å; V591-F621 HydrophobicContact CG2-CB 4.13Å; V591-L868 HydrophobicContact CG2-CD2 4.32Å; V591-Q871 VanDerWaalsContact CG1-NE2 3.28Å
592E92.4Very high86.6Confident3 Ų354.1 Ų54.11%0.01429%0.289CS..  trans-57.9117.5-177.3-178.5174.6-178.900112.5F564 F599 F620 F621 A622 V623 G626 K627F564-E592 HydrophobicContact CE1-CB 4.46Å; F564-E592 HydrophobicContact CE1-CG 4.14Å; F564-E592 HydrophobicContact CZ-CG 4.13Å; E592-F599 HydrophobicContact CG-CD2 4.38Å; E592-F599 HydrophobicContact CG-CE2 4.12Å; E592-F620 HydrophobicContact CB-CE1 4.13Å; E592-F621 WeakPolarHBondContact CB-O 3.44Å; E592-F621 PolarHBondContact N-O 3.4Å; E592-A622 WeakPolarHBondContact OE2-CA 3.43Å; E592-V623 PolarHBondContact OE2-N 2.87Å; E592-G626 WeakPolarHBondContact OE1-CA 3.4Å; E592-K627 PolarHBondContact OE1-N 3.44Å
593P88.4Confident86.5Confident20 Ų2050 Ų5013%0.1327%0.274CS..  trans-77.6140.6173.330-34.7000112V591 T598 F599 K627V591-P593 VanDerWaalsContact O-CD 3.27Å; V591-P593 WeakPolarHBondContact O-CD 3.28Å; P593-T598 WeakPolarHBondContact CB-OG1 3.16Å; P593-F599 HydrophobicContact CG-CB 4.05Å; P593-F599 HydrophobicContact CG-CD2 4.27Å; P593-K627 PolarHBondContact O-NZ 3.16Å
594K79.6Confident86.3Confident119 Ų11954 Ų5452%0.51730%0.295SS..SBendtrans-58.7-47.1171-71.1169.4174.5160.80111.6F564 E568 K627F564-K594 HydrophobicContact CD1-CG 3.74Å; F564-K594 HydrophobicContact CE1-CG 3.94Å; F564-K594 HydrophobicContact CG-CG 4.07Å; F564-K594 HydrophobicContact CZ-CG 4.42Å; E568-K594 WeakPolarHBondContact OE1-CE 3.48Å; E568-K594 IonicContact OE1-NZ 2.67Å; E568-K594 PolarHBondContact OE1-NZ 3.36Å; E568-K594 WeakPolarHBondContact OE2-CE 3.28Å; E568-K594 IonicContact OE2-NZ 3.57Å; E568-K594 PolarHBondContact OE2-NZ 3.18Å; K594-K627 PolarHBondContact O-NZ 2.76Å
595G71.7Confident86.3Confident32 Ų3253 Ų5333%0.3330%0.297SS..SBendtrans-67.1165-178.700000114.6K627G595-K627 PolarHBondContact O-NZ 2.98Å
596K64.6Low86.4Confident190 Ų19046.3 Ų46.383%0.82626%0.261SS*.SBendtrans-78.3-41.9177.6-72.9-175178.5178.60113.5T598 F599K596-T598 PolarHBondContact O-N 3.32Å; K596-F599 PolarHBondContact O-N 3.42Å
597G66.6Low86.5Confident67 Ų6747.4 Ų47.469%0.69126%0.264SS*.THydrogen-bonded Turntrans-56.4-55.5-166.800000115.3F599G597-F599 VanDerWaalsContact C-N 3.32Å; G597-F599 PolarHBondContact O-N 3.4Å
598T81.5Confident86.4Confident66 Ų6652.7 Ų52.741%0.40529%0.293SS..THydrogen-bonded Turntrans-84.73.3-171.556.40000114.7P593 K596 E601 V602P593-T598 WeakPolarHBondContact CB-OG1 3.16Å; K596-T598 PolarHBondContact O-N 3.32Å; T598-E601 WeakPolarHBondContact CA-OE2 3.29Å; T598-E601 WeakPolarHBondContact CB-OE2 3.23Å; T598-E601 WeakPolarHBondContact CG2-OE2 3.49Å; T598-V602 WeakPolarHBondContact O-CG2 3.31Å; T598-V602 PolarHBondContact O-N 3.28Å
599F85.4Confident86.3Confident18 Ų1854.7 Ų54.78%0.07930%0.298CS..Hα-helixtrans-66.6-40.9-174.5-179.5-99.6000112.7E592 P593 K596 G597 M603 K627 L632E592-F599 HydrophobicContact CG-CD2 4.38Å; E592-F599 HydrophobicContact CG-CE2 4.12Å; P593-F599 HydrophobicContact CG-CB 4.05Å; P593-F599 HydrophobicContact CG-CD2 4.27Å; K596-F599 PolarHBondContact O-N 3.42Å; G597-F599 VanDerWaalsContact C-N 3.32Å; G597-F599 PolarHBondContact O-N 3.4Å; F599-M603 HydrophobicContact CE1-CE 4.38Å; F599-M603 HydrophobicContact CE2-CE 4.27Å; F599-M603 HydrophobicContact CZ-CE 3.85Å; F599-M603 PolarHBondContact O-N 3.47Å; F599-K627 HydrophobicContact CB-CD 4.46Å; F599-K627 HydrophobicContact CD1-CD 4.28Å; F599-K627 HydrophobicContact CD2-CB 4.21Å; F599-K627 HydrophobicContact CD2-CD 3.71Å; F599-K627 HydrophobicContact CE1-CB 4.11Å; F599-K627 HydrophobicContact CE1-CD 4.48Å; F599-K627 HydrophobicContact CE2-CB 3.56Å; F599-K627 HydrophobicContact CE2-CD 3.97Å; F599-K627 HydrophobicContact CE2-CG 4.39Å; F599-K627 HydrophobicContact CG-CD 3.88Å; F599-K627 HydrophobicContact CZ-CB 3.5Å; F599-K627 VanDerWaalsContact CZ-CB 3.5Å; F599-K627 HydrophobicContact CZ-CD 4.34Å; F599-L632 HydrophobicContact CE1-CD1 3.89Å; F599-L632 HydrophobicContact CZ-CD1 3.68Å; F599-L632 HydrophobicContact CZ-CG 4.49Å
600N85.4Confident86.2Confident105 Ų10554.9 Ų54.956%0.56130%0.299SS*.Hα-helixtrans-68.5-46.1-179.2-63.30.4000110.8V602 M603 D604N600-V602 VanDerWaalsContact C-N 3.29Å; N600-V602 PolarHBondContact O-N 2.91Å; N600-M603 CarbonylContact O-C 3.58Å; N600-M603 WeakPolarHBondContact O-CA 3.22Å; N600-M603 WeakPolarHBondContact O-CB 3.44Å; N600-M603 PolarHBondContact O-N 2.94Å; N600-D604 VanDerWaalsContact O-CG 3.29Å; N600-D604 PolarHBondContact O-N 3.03Å
601E87.8Confident85.9Confident130 Ų13058.5 Ų58.561%0.60732%0.319SS*.Hα-helixtrans-55.1-42.4178.9-57.4169.3156.500112.5T598 G605T598-E601 WeakPolarHBondContact CA-OE2 3.29Å; T598-E601 WeakPolarHBondContact CB-OE2 3.23Å; T598-E601 WeakPolarHBondContact CG2-OE2 3.49Å; E601-G605 PolarHBondContact O-N 3.26Å
602V90.4Very high85.6Confident19 Ų1960.5 Ų60.512%0.11533%0.33CS..Hα-helixtrans-70-32.71771760000111.7F590 T598 N600 Y606 F620 T867F590-V602 HydrophobicContact CB-CG1 3.93Å; F590-V602 HydrophobicContact CD1-CG1 4.41Å; F590-V602 WeakPolarHBondContact CD1-O 3.16Å; T598-V602 WeakPolarHBondContact O-CG2 3.31Å; T598-V602 PolarHBondContact O-N 3.28Å; N600-V602 VanDerWaalsContact C-N 3.29Å; N600-V602 PolarHBondContact O-N 2.91Å; V602-Y606 PolarHBondContact O-N 3.17Å; V602-Y606 VanDerWaalsContact O-N 3.17Å; V602-F620 HydrophobicContact CG1-CE2 3.96Å; V602-F620 HydrophobicContact CG1-CZ 4.34Å; V602-T867 HydrophobicContact CG1-CG2 4.39Å; V602-T867 HydrophobicContact CG2-CG2 4.24Å
603M88.5Confident85.2Confident7 Ų766.7 Ų66.73%0.03437%0.371CS..Hα-helixtrans-73.2-44.1176.1-164.959.751.700112.2F599 N600 G605 Y606 Y607 F620 L632 F634F599-M603 HydrophobicContact CE1-CE 4.38Å; F599-M603 HydrophobicContact CE2-CE 4.27Å; F599-M603 HydrophobicContact CZ-CE 3.85Å; F599-M603 PolarHBondContact O-N 3.47Å; N600-M603 CarbonylContact O-C 3.58Å; N600-M603 WeakPolarHBondContact O-CA 3.22Å; N600-M603 WeakPolarHBondContact O-CB 3.44Å; N600-M603 PolarHBondContact O-N 2.94Å; M603-G605 VanDerWaalsContact C-N 3.32Å; M603-G605 PolarHBondContact O-N 3.24Å; M603-Y606 WeakPolarHBondContact O-CB 3.31Å; M603-Y606 PolarHBondContact O-N 3.47Å; M603-Y606 VanDerWaalsContact O-N 3.12Å; M603-Y606 HydrophobicContact SD-CD1 4.35Å; M603-Y607 HydrophobicContact CG-CD2 4.12Å; M603-Y607 HydrophobicContact CG-CE1 4.42Å; M603-Y607 HydrophobicContact CG-CE2 3.52Å; M603-Y607 PolarHBondContact O-N 2.95Å; M603-Y607 HydrophobicContact SD-CE1 4.06Å; M603-Y607 HydrophobicContact SD-CE2 4.22Å; M603-F620 HydrophobicContact CE-CD2 4.06Å; M603-F620 HydrophobicContact CE-CE1 4.03Å; M603-F620 HydrophobicContact CE-CE2 3.3Å; M603-F620 HydrophobicContact CE-CZ 3.29Å; M603-F620 HydrophobicContact SD-CD2 4.37Å; M603-F620 HydrophobicContact SD-CE2 4.03Å; M603-L632 HydrophobicContact CE-CD1 3.41Å; M603-L632 VanDerWaalsContact CE-CD1 3.41Å; M603-L632 HydrophobicContact CG-CD1 4.29Å; M603-L632 HydrophobicContact SD-CD1 3.87Å; M603-F634 HydrophobicContact CE-CZ 4.21Å; M603-F634 HydrophobicContact SD-CE1 3.85Å; M603-F634 HydrophobicContact SD-CZ 3.97Å
604D89.1Confident84.8Confident85 Ų8570.4 Ų70.446%0.45540%0.403SS..Hα-helixtrans-63.4-41.4176.3-63.6-30.9000110.3N600 Y606 Y607 N608N600-D604 VanDerWaalsContact O-CG 3.29Å; N600-D604 PolarHBondContact O-N 3.03Å; D604-Y606 VanDerWaalsContact C-N 3.32Å; D604-Y606 PolarHBondContact O-N 3.18Å; D604-Y607 PolarHBondContact O-N 3.1Å; D604-N608 VanDerWaalsContact O-CB 3.25Å; D604-N608 WeakPolarHBondContact O-CB 3.41Å; D604-N608 PolarHBondContact O-N 2.89Å; D604-N608 PolarHBondContact O-ND2 2.82Å
605G91.3Very high85Confident25 Ų2566 Ų6626%0.25839%0.387SS..Hα-helixtrans-56.6-42.9170.700000113.1F590 E601 M603 K609F590-G605 VanDerWaalsContact CZ-O 3.28Å; F590-G605 WeakPolarHBondContact CZ-O 3.42Å; E601-G605 PolarHBondContact O-N 3.26Å; M603-G605 VanDerWaalsContact C-N 3.32Å; M603-G605 PolarHBondContact O-N 3.24Å; G605-K609 WeakPolarHBondContact O-CB 3.43Å; G605-K609 PolarHBondContact O-N 3.4Å; G605-K609 VanDerWaalsContact O-N 3.13Å
606Y93.4Very high85.6Confident0 Ų071.9 Ų71.90%040%0.403CS..Hα-helixtrans-64.8-50.6175.9172.4-104.5000112.1G556 L558 F590 V602 M603 D604 N608 K609 V610 F620 F634 F638G556-Y606 WeakPolarHBondContact CA-OH 3.27Å; L558-Y606 HydrophobicContact CD2-CE1 4.38Å; L558-Y606 WeakPolarHBondContact CD2-OH 3.37Å; F590-Y606 AromaticContact CD2-CD2 3.83Å; F590-Y606 HydrophobicContact CD2-CD2 3.83Å; F590-Y606 HydrophobicContact CD2-CG 4.41Å; F590-Y606 HydrophobicContact CE2-CD2 4.37Å; F590-Y606 HydrophobicContact CG-CD2 4.41Å; V602-Y606 PolarHBondContact O-N 3.17Å; V602-Y606 VanDerWaalsContact O-N 3.17Å; M603-Y606 WeakPolarHBondContact O-CB 3.31Å; M603-Y606 PolarHBondContact O-N 3.47Å; M603-Y606 VanDerWaalsContact O-N 3.12Å; M603-Y606 HydrophobicContact SD-CD1 4.35Å; D604-Y606 VanDerWaalsContact C-N 3.32Å; D604-Y606 PolarHBondContact O-N 3.18Å; Y606-N608 PolarHBondContact O-N 3Å; Y606-K609 CarbonylContact O-C 3.58Å; Y606-K609 PolarHBondContact O-N 3.27Å; Y606-K609 VanDerWaalsContact O-N 3.16Å; Y606-V610 HydrophobicContact CD2-CG2 4.19Å; Y606-V610 HydrophobicContact CE1-CG2 4.15Å; Y606-V610 HydrophobicContact CE2-CG2 3.81Å; Y606-V610 WeakPolarHBondContact O-CG2 3.43Å; Y606-V610 PolarHBondContact O-N 3.31Å; Y606-F620 HydrophobicContact CD1-CD2 4.23Å; Y606-F620 HydrophobicContact CD2-CB 3.92Å; Y606-F620 HydrophobicContact CD2-CD2 4.11Å; Y606-F620 HydrophobicContact CE2-CB 3.78Å; Y606-F620 HydrophobicContact CG-CB 4.34Å; Y606-F620 AromaticContact CG-CD2 3.82Å; Y606-F620 HydrophobicContact CG-CD2 3.82Å; Y606-F634 HydrophobicContact CD1-CE1 4.29Å; Y606-F634 HydrophobicContact CE1-CD1 4.02Å; Y606-F634 AromaticContact CE1-CE1 3.83Å; Y606-F634 HydrophobicContact CE1-CE1 3.83Å; Y606-F638 PolarHBondContact OH-O 3.48Å
607Y91.3Very high86.8Confident55 Ų5562.9 Ų62.922%0.21637%0.365CS..Hα-helixtrans-61.6-45.2179.3-65.3-32.7000112.1M603 D604 K609 V610 N611 D633 F634 F638M603-Y607 HydrophobicContact CG-CD2 4.12Å; M603-Y607 HydrophobicContact CG-CE1 4.42Å; M603-Y607 HydrophobicContact CG-CE2 3.52Å; M603-Y607 PolarHBondContact O-N 2.95Å; M603-Y607 HydrophobicContact SD-CE1 4.06Å; M603-Y607 HydrophobicContact SD-CE2 4.22Å; D604-Y607 PolarHBondContact O-N 3.1Å; Y607-K609 PolarHBondContact O-N 2.86Å; Y607-V610 PolarHBondContact O-N 2.96Å; Y607-N611 WeakPolarHBondContact O-CB 3.16Å; Y607-N611 VanDerWaalsContact O-CG 3.31Å; Y607-N611 PolarHBondContact O-N 2.65Å; Y607-N611 PolarHBondContact O-ND2 3.26Å; Y607-D633 PolarHBondContact OH-O 3.45Å; Y607-F634 HydrophobicContact CE1-CD1 4.21Å; Y607-F634 HydrophobicContact CE1-CE1 4.18Å; Y607-F638 HydrophobicContact CD1-CB 4.46Å; Y607-F638 AromaticContact CD1-CD1 3.5Å; Y607-F638 HydrophobicContact CD1-CD1 3.5Å; Y607-F638 AromaticContact CD1-CE1 3.87Å; Y607-F638 HydrophobicContact CD1-CE1 3.87Å; Y607-F638 AromaticContact CD1-CG 3.99Å; Y607-F638 HydrophobicContact CD1-CG 3.99Å; Y607-F638 HydrophobicContact CE1-CB 4.3Å; Y607-F638 HydrophobicContact CE1-CD1 4.14Å; Y607-F638 HydrophobicContact CE1-CG 4.17Å; Y607-F638 HydrophobicContact CG-CD1 4.37Å; Y607-F638 HydrophobicContact CG-CE1 4.31Å
608N91.3Very high88.1Confident113 Ų11359.7 Ų59.760%0.60433%0.332SS*.Hα-helixtrans-56.5-39.6175.2-74.3-36.7000111.6D604 Y606 D612D604-N608 VanDerWaalsContact O-CB 3.25Å; D604-N608 WeakPolarHBondContact O-CB 3.41Å; D604-N608 PolarHBondContact O-N 2.89Å; D604-N608 PolarHBondContact O-ND2 2.82Å; Y606-N608 PolarHBondContact O-N 3Å; N608-D612 PolarHBondContact O-N 3.12Å; N608-D612 VanDerWaalsContact O-N 3.15Å
609K91.5Very high88.7Confident74 Ų7456.5 Ų56.532%0.32231%0.312SS..Hα-helixtrans-84.6-15-179.4-158.949.5166.7-179.70115P588 F590 G605 Y606 Y607 D612 S615P588-K609 HydrophobicContact CG-CG 3.61Å; F590-K609 HydrophobicContact CE2-CB 4.18Å; F590-K609 HydrophobicContact CZ-CB 3.97Å; F590-K609 HydrophobicContact CZ-CG 4.5Å; G605-K609 WeakPolarHBondContact O-CB 3.43Å; G605-K609 PolarHBondContact O-N 3.4Å; G605-K609 VanDerWaalsContact O-N 3.13Å; Y606-K609 CarbonylContact O-C 3.58Å; Y606-K609 PolarHBondContact O-N 3.27Å; Y606-K609 VanDerWaalsContact O-N 3.16Å; Y607-K609 PolarHBondContact O-N 2.86Å; K609-D612 HydrophobicContact CD-CB 4.15Å; K609-D612 IonicContact NZ-OD2 3.83Å; K609-D612 PolarHBondContact NZ-OD2 3.47Å; K609-S615 WeakPolarHBondContact CE-OG 3.21Å
610V90.6Very high89.2Confident5 Ų555.7 Ų55.73%0.0331%0.309CS..Hα-helixtrans-80.4-33.5166.5169.60000111.8H555 Y606 Y607 T637 F638H555-V610 HydrophobicContact CB-CG1 4.27Å; Y606-V610 HydrophobicContact CD2-CG2 4.19Å; Y606-V610 HydrophobicContact CE1-CG2 4.15Å; Y606-V610 HydrophobicContact CE2-CG2 3.81Å; Y606-V610 WeakPolarHBondContact O-CG2 3.43Å; Y606-V610 PolarHBondContact O-N 3.31Å; Y607-V610 PolarHBondContact O-N 2.96Å; V610-T637 WeakPolarHBondContact CG1-O 3.41Å; V610-F638 HydrophobicContact CB-CD1 3.81Å; V610-F638 HydrophobicContact CB-CE1 4.04Å; V610-F638 HydrophobicContact CG1-CD1 3.45Å; V610-F638 VanDerWaalsContact CG1-CD1 3.45Å; V610-F638 HydrophobicContact CG1-CE1 3.79Å; V610-F638 HydrophobicContact CG1-CG 4.36Å; V610-F638 HydrophobicContact CG2-CD1 4.45Å
611N89.4Confident89.7Confident93 Ų9350.7 Ų50.750%0.49728%0.282SS..Hα-helixtrans-78.5-21.4177.6-71.5-31000114Y607 P613 F638Y607-N611 WeakPolarHBondContact O-CB 3.16Å; Y607-N611 VanDerWaalsContact O-CG 3.31Å; Y607-N611 PolarHBondContact O-N 2.65Å; Y607-N611 PolarHBondContact O-ND2 3.26Å; N611-P613 VanDerWaalsContact O-CD 3.29Å; N611-P613 WeakPolarHBondContact O-CD 3.48Å; N611-F638 VanDerWaalsContact OD1-CE1 3.32Å; N611-F638 WeakPolarHBondContact OD1-CE1 3.31Å; N611-F638 WeakPolarHBondContact OD1-CZ 3.35Å
612D88.3Confident90.1Very high45 Ų4544.5 Ų44.524%0.24125%0.253CS..  trans-62111.6176.4173.29000111.8N608 K609 A614 S615N608-D612 PolarHBondContact O-N 3.12Å; N608-D612 VanDerWaalsContact O-N 3.15Å; K609-D612 HydrophobicContact CD-CB 4.15Å; K609-D612 IonicContact NZ-OD2 3.83Å; K609-D612 PolarHBondContact NZ-OD2 3.47Å; D612-A614 PolarHBondContact O-N 3.21Å; D612-A614 WeakPolarHBondContact OD1-CA 3.3Å; D612-A614 WeakPolarHBondContact OD1-CB 3.32Å; D612-A614 PolarHBondContact OD1-N 2.97Å; D612-S615 WeakPolarHBondContact O-CB 3.32Å; D612-S615 PolarHBondContact O-N 3.09Å; D612-S615 WeakPolarHBondContact OD2-CB 3.25Å
613P82.2Confident90.2Very high133 Ų13343.9 Ų43.986%0.86425%0.249SC*.THydrogen-bonded Turntrans-72.2-15.3-177.431.8-36.2000113.5N611 S615N611-P613 VanDerWaalsContact O-CD 3.29Å; N611-P613 WeakPolarHBondContact O-CD 3.48Å; P613-S615 VanDerWaalsContact C-N 3.29Å
614A81.2Confident90.3Very high97 Ų9743.8 Ų43.880%0.80225%0.249SC*.THydrogen-bonded Turntrans-83.7-6.1170.900000112.3D612D612-A614 PolarHBondContact O-N 3.21Å; D612-A614 WeakPolarHBondContact OD1-CA 3.3Å; D612-A614 WeakPolarHBondContact OD1-CB 3.32Å; D612-A614 PolarHBondContact OD1-N 2.97Å
615S83.9Confident90.1Very high28 Ų2844.6 Ų44.620%0.19625%0.246CC..SBendtrans-98.6156.1177.3-160.20000113.2K609 D612 P613 G617K609-S615 WeakPolarHBondContact CE-OG 3.21Å; D612-S615 WeakPolarHBondContact O-CB 3.32Å; D612-S615 PolarHBondContact O-N 3.09Å; D612-S615 WeakPolarHBondContact OD2-CB 3.25Å; P613-S615 VanDerWaalsContact C-N 3.29Å; S615-G617 PolarHBondContact O-N 2.77Å; S615-G617 PolarHBondContact OG-N 3.45Å
616K83.2Confident89.8Confident154 Ų15443.6 Ų43.667%0.6724%0.236SC*.  trans-82.58.3166.1-64.4176.3-178.3173.20112.2H555 K587H555-K616 PolarHBondContact N-O 2.98Å; K587-K616 PolarHBondContact NZ-O 3.44Å
617G90.3Very high89.3Confident1 Ų146.6 Ų46.61%0.0125%0.249CC..  trans88.4177.7-173.900000113.7K587 S615K587-G617 WeakPolarHBondContact CA-O 3.32Å; K587-G617 WeakPolarHBondContact CB-O 3.4Å; K587-G617 WeakPolarHBondContact CG-O 3.42Å; S615-G617 PolarHBondContact O-N 2.77Å; S615-G617 PolarHBondContact OG-N 3.45Å
618G93.8Very high89Confident0 Ų044 Ų440%024%0.239CC..  trans-101.7167.1178.300000114L557L557-G618 PolarHBondContact N-O 2.6Å; L557-G618 VanDerWaalsContact N-O 3.16Å
619S95Very high88.5Confident0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-116.2125166.7-54.10000110.3L557 K587 P588 F590L557-S619 CarbonylContact O-C 3.54Å; L557-S619 VanDerWaalsContact O-CA 3.27Å; L557-S619 WeakPolarHBondContact O-CA 3.43Å; K587-S619 WeakPolarHBondContact CB-OG 3.28Å; K587-S619 WeakPolarHBondContact CD-OG 3.18Å; P588-S619 PolarHBondContact O-N 2.89Å; F590-S619 PolarHBondContact N-O 2.95Å
620F95.5Very high87.7Confident1 Ų137.2 Ų37.20%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-103.1119.8177.4-159.4-80.7000111.3L557 L558 V559 F590 E592 V602 M603 Y606 A622 A628L557-F620 PolarHBondContact O-N 3.49Å; L558-F620 CarbonylContact C-O 3.58Å; L558-F620 HydrophobicContact CD2-CB 3.8Å; V559-F620 PolarHBondContact N-O 2.81Å; F590-F620 HydrophobicContact CB-CD2 3.78Å; F590-F620 HydrophobicContact CB-CE2 4.11Å; F590-F620 CarbonylContact O-C 3.35Å; F590-F620 WeakPolarHBondContact O-CA 2.96Å; E592-F620 HydrophobicContact CB-CE1 4.13Å; V602-F620 HydrophobicContact CG1-CE2 3.96Å; V602-F620 HydrophobicContact CG1-CZ 4.34Å; M603-F620 HydrophobicContact CE-CD2 4.06Å; M603-F620 HydrophobicContact CE-CE1 4.03Å; M603-F620 HydrophobicContact CE-CE2 3.3Å; M603-F620 HydrophobicContact CE-CZ 3.29Å; M603-F620 HydrophobicContact SD-CD2 4.37Å; M603-F620 HydrophobicContact SD-CE2 4.03Å; Y606-F620 HydrophobicContact CD1-CD2 4.23Å; Y606-F620 HydrophobicContact CD2-CB 3.92Å; Y606-F620 HydrophobicContact CD2-CD2 4.11Å; Y606-F620 HydrophobicContact CE2-CB 3.78Å; Y606-F620 HydrophobicContact CG-CB 4.34Å; Y606-F620 AromaticContact CG-CD2 3.82Å; Y606-F620 HydrophobicContact CG-CD2 3.82Å; F620-A622 HydrophobicContact CD1-CB 3.97Å; F620-A622 HydrophobicContact CE1-CB 4.05Å; F620-A628 HydrophobicContact CD1-CB 4.15Å; F620-A628 HydrophobicContact CE1-CB 3.59Å; F620-A628 HydrophobicContact CZ-CB 4.4Å
621F96Very high86.4Confident0 Ų039.6 Ų39.60%023%0.23CC..EExtended strand (participates in β ladder)trans-100.5116.5-178.7-77.1-99.1000109.7V546 V559 F561 M567 L571 W574 M589 F590 V591 E592V546-F621 HydrophobicContact CG1-CZ 4.1Å; V559-F621 HydrophobicContact CB-CD1 3.93Å; V559-F621 HydrophobicContact CB-CE1 3.84Å; V559-F621 HydrophobicContact CB-CG 4.35Å; V559-F621 HydrophobicContact CB-CZ 4.21Å; V559-F621 HydrophobicContact CG1-CD1 4.07Å; V559-F621 HydrophobicContact CG1-CE1 3.76Å; V559-F621 HydrophobicContact CG1-CZ 4.43Å; V559-F621 HydrophobicContact CG2-CE1 4.05Å; V559-F621 HydrophobicContact CG2-CE2 4.25Å; V559-F621 HydrophobicContact CG2-CZ 3.91Å; F561-F621 AromaticContact CE2-CD1 3.77Å; F561-F621 HydrophobicContact CE2-CD1 3.77Å; F561-F621 HydrophobicContact CE2-CE1 4.1Å; M567-F621 HydrophobicContact SD-CB 4.37Å; L571-F621 HydrophobicContact CD2-CD1 4.14Å; L571-F621 HydrophobicContact CD2-CE1 4.38Å; W574-F621 HydrophobicContact CH2-CE1 4.38Å; W574-F621 AromaticContact CZ3-CE1 3.73Å; W574-F621 HydrophobicContact CZ3-CE1 3.73Å; W574-F621 HydrophobicContact CZ3-CZ 4.22Å; M589-F621 HydrophobicContact CB-CD2 4.39Å; M589-F621 HydrophobicContact CB-CE2 4.38Å; M589-F621 HydrophobicContact CE-CD1 4.49Å; M589-F621 HydrophobicContact CE-CD2 4.05Å; M589-F621 HydrophobicContact CE-CE1 4.22Å; M589-F621 HydrophobicContact CE-CE2 3.73Å; M589-F621 HydrophobicContact CE-CG 4.44Å; M589-F621 HydrophobicContact CE-CZ 3.83Å; M589-F621 HydrophobicContact CG-CD2 4.28Å; M589-F621 HydrophobicContact CG-CE2 3.79Å; M589-F621 HydrophobicContact SD-CE2 4.3Å; F590-F621 PolarHBondContact O-N 2.64Å; V591-F621 WeakPolarHBondContact CA-O 3.46Å; V591-F621 HydrophobicContact CB-CB 4.4Å; V591-F621 HydrophobicContact CG1-CB 4.26Å; V591-F621 HydrophobicContact CG2-CB 4.13Å; E592-F621 WeakPolarHBondContact CB-O 3.44Å; E592-F621 PolarHBondContact N-O 3.4Å
622A94.9Very high85.6Confident0 Ų037.3 Ų37.30%022%0.217CC..EExtended strand (participates in β ladder)trans-135.1172.8-168.200000111.9V559 F560 F561 E592 F620 A628V559-A622 PolarHBondContact O-N 2.95Å; F560-A622 CarbonylContact C-O 3.59Å; F560-A622 WeakPolarHBondContact CA-O 3.41Å; F560-A622 HydrophobicContact CD1-CB 3.48Å; F560-A622 VanDerWaalsContact CD1-CB 3.48Å; F560-A622 HydrophobicContact CE1-CB 3.43Å; F560-A622 VanDerWaalsContact CE1-CB 3.43Å; F560-A622 HydrophobicContact CG-CB 4.38Å; F560-A622 HydrophobicContact CZ-CB 4.32Å; F561-A622 PolarHBondContact N-O 3.27Å; E592-A622 WeakPolarHBondContact OE2-CA 3.43Å; F620-A622 HydrophobicContact CD1-CB 3.97Å; F620-A622 HydrophobicContact CE1-CB 4.05Å; A622-A628 HydrophobicContact CB-CB 3.66Å
623V93.3Very high84.9Confident6 Ų639.5 Ų39.54%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-114.4141.8175.4175.30000110.8F561 F564 M567 E592 R625 G626 S629F561-V623 WeakPolarHBondContact O-CA 3.41Å; F564-V623 HydrophobicContact CB-CG2 4.4Å; F564-V623 HydrophobicContact CD1-CG2 3.71Å; F564-V623 HydrophobicContact CD2-CB 4.17Å; F564-V623 HydrophobicContact CD2-CG1 4.04Å; F564-V623 HydrophobicContact CD2-CG2 3.93Å; F564-V623 HydrophobicContact CE1-CB 4.4Å; F564-V623 HydrophobicContact CE1-CG2 3.82Å; F564-V623 HydrophobicContact CE2-CB 3.94Å; F564-V623 HydrophobicContact CE2-CG1 4.08Å; F564-V623 HydrophobicContact CE2-CG2 4.04Å; F564-V623 HydrophobicContact CG-CB 4.49Å; F564-V623 HydrophobicContact CG-CG2 3.75Å; F564-V623 HydrophobicContact CZ-CB 4.06Å; F564-V623 HydrophobicContact CZ-CG2 3.98Å; M567-V623 HydrophobicContact CB-CG2 4.41Å; M567-V623 HydrophobicContact CE-CG2 4.01Å; M567-V623 HydrophobicContact SD-CG2 3.97Å; E592-V623 PolarHBondContact OE2-N 2.87Å; V623-R625 PolarHBondContact O-N 3.15Å; V623-G626 WeakPolarHBondContact O-CA 3.33Å; V623-G626 PolarHBondContact O-N 3.06Å; V623-S629 PolarHBondContact O-OG 2.88Å
624C90.6Very high84.9Confident4 Ų433.2 Ų33.23%0.02719%0.189CC..THydrogen-bonded Turntrans-65.3129170.4-58.40000109.2F561 P648 A691F561-C624 PolarHBondContact O-N 3.32Å; F561-C624 PolarHBondContact O-SG 3.47Å; F561-C624 VanDerWaalsContact O-SG 3.4Å; C624-P648 HydrophobicContact CB-CB 3.65Å; C624-P648 HydrophobicContact CB-CG 3.8Å; C624-A691 HydrophobicContact CB-CB 4.36Å
625R85.4Confident85Confident102 Ų10229.9 Ų29.939%0.38516%0.161SC..THydrogen-bonded Turntrans68.514.1-164.9-43.6173.1173.5-141.4-10.8113.9V623 S629 Q687 A691V623-R625 PolarHBondContact O-N 3.15Å; R625-S629 WeakPolarHBondContact CA-OG 3.24Å; R625-S629 PolarHBondContact N-OG 3Å; R625-Q687 PolarHBondContact NH2-O 3.33Å; R625-A691 HydrophobicContact CG-CB 3.63Å
626G84.9Confident85.1Confident5 Ų531.6 Ų31.65%0.05217%0.168CC..SBendtrans-86.3167.8164.700000111.7E592 V623 A628 S629 E630E592-G626 WeakPolarHBondContact OE1-CA 3.4Å; V623-G626 WeakPolarHBondContact O-CA 3.33Å; V623-G626 PolarHBondContact O-N 3.06Å; G626-A628 VanDerWaalsContact C-N 3.25Å; G626-A628 PolarHBondContact O-N 3.38Å; G626-S629 PolarHBondContact N-OG 3.32Å; G626-S629 VanDerWaalsContact N-OG 3.14Å; G626-S629 WeakPolarHBondContact O-CA 3.25Å; G626-S629 PolarHBondContact O-N 3.43Å; G626-S629 PolarHBondContact O-OG 2.81Å; G626-E630 PolarHBondContact O-N 3.28Å
627K83.1Confident85.5Confident63 Ų6325.3 Ų25.327%0.27414%0.142SC..G310 helixtrans-58-36.8-178.3-55.8170.5-163.6126.60111.9E592 P593 K594 G595 F599 S629 E630E592-K627 PolarHBondContact OE1-N 3.44Å; P593-K627 PolarHBondContact O-NZ 3.16Å; K594-K627 PolarHBondContact O-NZ 2.76Å; G595-K627 PolarHBondContact O-NZ 2.98Å; F599-K627 HydrophobicContact CB-CD 4.46Å; F599-K627 HydrophobicContact CD1-CD 4.28Å; F599-K627 HydrophobicContact CD2-CB 4.21Å; F599-K627 HydrophobicContact CD2-CD 3.71Å; F599-K627 HydrophobicContact CE1-CB 4.11Å; F599-K627 HydrophobicContact CE1-CD 4.48Å; F599-K627 HydrophobicContact CE2-CB 3.56Å; F599-K627 HydrophobicContact CE2-CD 3.97Å; F599-K627 HydrophobicContact CE2-CG 4.39Å; F599-K627 HydrophobicContact CG-CD 3.88Å; F599-K627 HydrophobicContact CZ-CB 3.5Å; F599-K627 VanDerWaalsContact CZ-CB 3.5Å; F599-K627 HydrophobicContact CZ-CD 4.34Å; K627-S629 PolarHBondContact O-N 3.34Å; K627-E630 CarbonylContact O-C 3.58Å; K627-E630 PolarHBondContact O-N 2.98Å; K627-E630 VanDerWaalsContact O-N 3.17Å
628A83.9Confident85.4Confident0 Ų027.4 Ų27.40%015%0.151CC..G310 helixtrans-70.2-20.5176.500000113F560 F620 A622 G626 F634F560-A628 HydrophobicContact CE1-CB 4.4Å; F620-A628 HydrophobicContact CD1-CB 4.15Å; F620-A628 HydrophobicContact CE1-CB 3.59Å; F620-A628 HydrophobicContact CZ-CB 4.4Å; A622-A628 HydrophobicContact CB-CB 3.66Å; G626-A628 VanDerWaalsContact C-N 3.25Å; G626-A628 PolarHBondContact O-N 3.38Å; A628-F634 WeakPolarHBondContact O-CE2 3.28Å
629S82.3Confident85.3Confident0 Ų027.4 Ų27.40%015%0.151CC..G310 helixtrans-88.2-10.8171.971.60000113.6V623 R625 G626 K627 R698V623-S629 PolarHBondContact O-OG 2.88Å; R625-S629 WeakPolarHBondContact CA-OG 3.24Å; R625-S629 PolarHBondContact N-OG 3Å; G626-S629 PolarHBondContact N-OG 3.32Å; G626-S629 VanDerWaalsContact N-OG 3.14Å; G626-S629 WeakPolarHBondContact O-CA 3.25Å; G626-S629 PolarHBondContact O-N 3.43Å; G626-S629 PolarHBondContact O-OG 2.81Å; K627-S629 PolarHBondContact O-N 3.34Å; S629-R698 VanDerWaalsContact O-CZ 3.24Å; S629-R698 PolarHBondContact O-NE 3.41Å; S629-R698 PolarHBondContact O-NH2 2.67Å
630E73.6Confident85.2Confident45 Ų4527.5 Ų27.521%0.2115%0.152CC..THydrogen-bonded Turntrans-128.8114.3-169.6-62.6-167.1133.500112.3R114 G626 K627 L632R114-E630 IonicContact CZ-OE1 2.67Å; R114-E630 IonicContact CZ-OE2 2.66Å; R114-E630 IonicContact NH1-OE1 2.63Å; R114-E630 PolarHBondContact NH1-OE1 2.8Å; R114-E630 IonicContact NH1-OE2 2.7Å; R114-E630 PolarHBondContact NH1-OE2 2.73Å; R114-E630 VanDerWaalsContact NH2-CD 3.26Å; R114-E630 IonicContact NH2-OE1 3.03Å; R114-E630 PolarHBondContact NH2-OE1 3.4Å; R114-E630 IonicContact NH2-OE2 3.75Å; R114-E630 PolarHBondContact NH2-OE2 2.86Å; G626-E630 PolarHBondContact O-N 3.28Å; K627-E630 CarbonylContact O-C 3.58Å; K627-E630 PolarHBondContact O-N 2.98Å; K627-E630 VanDerWaalsContact O-N 3.17Å; E630-L632 VanDerWaalsContact C-N 3.29Å; E630-L632 PolarHBondContact O-N 3.49Å
631G63.4Low85.2Confident55 Ų5527.5 Ų27.557%0.56715%0.152SC*.THydrogen-bonded Turntrans81.2-12.3171.600000116.7
632L72.4Confident85.2Confident44 Ų4427.5 Ų27.523%0.2315%0.152CC..  trans-84.1146.6171-70.8-167.2000114.1F599 M603 E630 F634 R698 R701F599-L632 HydrophobicContact CE1-CD1 3.89Å; F599-L632 HydrophobicContact CZ-CD1 3.68Å; F599-L632 HydrophobicContact CZ-CG 4.49Å; M603-L632 HydrophobicContact CE-CD1 3.41Å; M603-L632 VanDerWaalsContact CE-CD1 3.41Å; M603-L632 HydrophobicContact CG-CD1 4.29Å; M603-L632 HydrophobicContact SD-CD1 3.87Å; E630-L632 VanDerWaalsContact C-N 3.29Å; E630-L632 PolarHBondContact O-N 3.49Å; L632-F634 HydrophobicContact CB-CD2 4.46Å; L632-F634 HydrophobicContact CB-CE2 3.88Å; L632-F634 HydrophobicContact CB-CZ 4.37Å; L632-F634 HydrophobicContact CD1-CE2 4.39Å; L632-F634 HydrophobicContact CD1-CZ 4.11Å; L632-R698 PolarHBondContact O-NH1 2.72Å; L632-R701 PolarHBondContact O-NH2 3.25Å
633D73.4Confident85.3Confident92 Ų9227.5 Ų27.549%0.49215%0.152SC..  trans-97.1144.6169.4-154-31.1000110.6Y607 A635 R701Y607-D633 PolarHBondContact OH-O 3.45Å; D633-A635 PolarHBondContact OD1-N 3.33Å; D633-A635 VanDerWaalsContact OD1-N 3.14Å; D633-R701 VanDerWaalsContact OD1-CD 3.28Å; D633-R701 WeakPolarHBondContact OD1-CD 3.26Å; D633-R701 WeakPolarHBondContact OD1-CG 3.26Å; D633-R701 IonicContact OD1-CZ 2.74Å; D633-R701 IonicContact OD1-NE 3.82Å; D633-R701 PolarHBondContact OD1-NE 2.86Å; D633-R701 IonicContact OD1-NH2 2.71Å; D633-R701 IonicContact OD2-NE 2.65Å
634F83.6Confident85.5Confident1 Ų127.2 Ų27.20%0.00415%0.15CC..  trans-14049.9-179.8-71.9-74.6000109.2L558 M603 Y606 Y607 A628 L632 F638 G639 R698L558-F634 HydrophobicContact CD1-CB 4.09Å; L558-F634 HydrophobicContact CD1-CD1 4.22Å; L558-F634 HydrophobicContact CD1-CD2 3.8Å; L558-F634 HydrophobicContact CD1-CE2 4.26Å; L558-F634 HydrophobicContact CD1-CG 3.78Å; L558-F634 HydrophobicContact CD2-CD1 3.87Å; L558-F634 HydrophobicContact CD2-CE1 3.81Å; L558-F634 HydrophobicContact CD2-CG 4.29Å; L558-F634 HydrophobicContact CD2-CZ 4.18Å; M603-F634 HydrophobicContact CE-CZ 4.21Å; M603-F634 HydrophobicContact SD-CE1 3.85Å; M603-F634 HydrophobicContact SD-CZ 3.97Å; Y606-F634 HydrophobicContact CD1-CE1 4.29Å; Y606-F634 HydrophobicContact CE1-CD1 4.02Å; Y606-F634 AromaticContact CE1-CE1 3.83Å; Y606-F634 HydrophobicContact CE1-CE1 3.83Å; Y607-F634 HydrophobicContact CE1-CD1 4.21Å; Y607-F634 HydrophobicContact CE1-CE1 4.18Å; A628-F634 WeakPolarHBondContact O-CE2 3.28Å; L632-F634 HydrophobicContact CB-CD2 4.46Å; L632-F634 HydrophobicContact CB-CE2 3.88Å; L632-F634 HydrophobicContact CB-CZ 4.37Å; L632-F634 HydrophobicContact CD1-CE2 4.39Å; L632-F634 HydrophobicContact CD1-CZ 4.11Å; F634-F638 HydrophobicContact CB-CB 4.42Å; F634-F638 HydrophobicContact CD1-CB 4.28Å; F634-G639 VanDerWaalsContact O-CA 3.29Å; F634-G639 WeakPolarHBondContact O-CA 3Å; F634-G639 PolarHBondContact O-N 3.18Å; F634-R698 HydrophobicContact CD2-CB 4.34Å
635A82.4Confident85.7Confident27 Ų2727.2 Ų27.222%0.22315%0.15CC..  trans-60.2152.4-178.600000113.5D633 T637 F638 R701D633-A635 PolarHBondContact OD1-N 3.33Å; D633-A635 VanDerWaalsContact OD1-N 3.14Å; A635-T637 PolarHBondContact O-N 2.99Å; A635-T637 VanDerWaalsContact O-N 3.16Å; A635-F638 WeakPolarHBondContact O-CB 3.36Å; A635-F638 WeakPolarHBondContact O-CD2 3.34Å; A635-F638 PolarHBondContact O-N 3Å; A635-R701 HydrophobicContact CB-CB 4.14Å; A635-R701 HydrophobicContact CB-CG 3.87Å
636D86.8Confident86.1Confident63 Ų6322.4 Ų22.434%0.33713%0.132SC..G310 helixtrans48.2-116.1170.4-85-50.1000114.1F638 G639 R640 H702D636-F638 PolarHBondContact O-N 3Å; D636-G639 PolarHBondContact O-N 3.19Å; D636-R640 VanDerWaalsContact CA-NH2 3.26Å; D636-R640 WeakPolarHBondContact O-CG 3.48Å; D636-R640 VanDerWaalsContact O-CZ 3.25Å; D636-R640 PolarHBondContact O-NE 3.38Å; D636-R640 PolarHBondContact O-NH1 3.02Å; D636-R640 IonicContact OD1-CZ 3.32Å; D636-R640 IonicContact OD1-NH1 2.67Å; D636-R640 IonicContact OD1-NH2 3.62Å; D636-R640 PolarHBondContact OD1-NH2 2.95Å; D636-H702 IonicContact OD1-CE1 3.21Å; D636-H702 IonicContact OD1-NE2 2.7Å; D636-H702 IonicContact OD2-CE1 3.15Å; D636-H702 IonicContact OD2-NE2 2.77Å; D636-H702 PolarHBondContact OD2-NE2 2.95Å
637T90.1Very high86.5Confident22 Ų2222.5 Ų22.514%0.13513%0.131CC..G310 helixtrans-65.6-21.7-176.1460000112.4H555 G556 V610 A635 G639 V759H555-T637 HydrophobicContact CB-CG2 4.26Å; H555-T637 WeakPolarHBondContact CB-O 3.3Å; G556-T637 WeakPolarHBondContact CA-O 3.09Å; G556-T637 PolarHBondContact N-O 2.7Å; V610-T637 WeakPolarHBondContact CG1-O 3.41Å; A635-T637 PolarHBondContact O-N 2.99Å; A635-T637 VanDerWaalsContact O-N 3.16Å; T637-G639 VanDerWaalsContact C-N 3.35Å; T637-V759 HydrophobicContact CG2-CG1 4.48Å
638F89.6Confident87Confident46 Ų4619.8 Ų19.820%0.20212%0.12CC..G310 helixtrans-79.2-13.4-178.5-52.3-63.8000114Y606 Y607 V610 N611 F634 A635 D636Y606-F638 PolarHBondContact OH-O 3.48Å; Y607-F638 HydrophobicContact CD1-CB 4.46Å; Y607-F638 AromaticContact CD1-CD1 3.5Å; Y607-F638 HydrophobicContact CD1-CD1 3.5Å; Y607-F638 AromaticContact CD1-CE1 3.87Å; Y607-F638 HydrophobicContact CD1-CE1 3.87Å; Y607-F638 AromaticContact CD1-CG 3.99Å; Y607-F638 HydrophobicContact CD1-CG 3.99Å; Y607-F638 HydrophobicContact CE1-CB 4.3Å; Y607-F638 HydrophobicContact CE1-CD1 4.14Å; Y607-F638 HydrophobicContact CE1-CG 4.17Å; Y607-F638 HydrophobicContact CG-CD1 4.37Å; Y607-F638 HydrophobicContact CG-CE1 4.31Å; V610-F638 HydrophobicContact CB-CD1 3.81Å; V610-F638 HydrophobicContact CB-CE1 4.04Å; V610-F638 HydrophobicContact CG1-CD1 3.45Å; V610-F638 VanDerWaalsContact CG1-CD1 3.45Å; V610-F638 HydrophobicContact CG1-CE1 3.79Å; V610-F638 HydrophobicContact CG1-CG 4.36Å; V610-F638 HydrophobicContact CG2-CD1 4.45Å; N611-F638 VanDerWaalsContact OD1-CE1 3.32Å; N611-F638 WeakPolarHBondContact OD1-CE1 3.31Å; N611-F638 WeakPolarHBondContact OD1-CZ 3.35Å; F634-F638 HydrophobicContact CB-CB 4.42Å; F634-F638 HydrophobicContact CD1-CB 4.28Å; A635-F638 WeakPolarHBondContact O-CB 3.36Å; A635-F638 WeakPolarHBondContact O-CD2 3.34Å; A635-F638 PolarHBondContact O-N 3Å; D636-F638 PolarHBondContact O-N 3Å
639G91.1Very high87.4Confident0 Ų022.8 Ų22.80%013%0.133CC..  trans-135.916.1-171.100000116.8F634 D636 T637 G641F634-G639 VanDerWaalsContact O-CA 3.29Å; F634-G639 WeakPolarHBondContact O-CA 3Å; F634-G639 PolarHBondContact O-N 3.18Å; D636-G639 PolarHBondContact O-N 3.19Å; T637-G639 VanDerWaalsContact C-N 3.35Å; G639-G641 PolarHBondContact O-N 2.93Å
640R93.3Very high87.7Confident2 Ų223.7 Ų23.71%0.00814%0.139CC..SBendtrans-54.9-22.1-171.9-69.4-65.3175.1-130.8-7.2115.6V553 P554 H555 G556 D636 D705 Y706 G707 A708 F750V553-R640 HydrophobicContact CG1-CB 4.3Å; P554-R640 HydrophobicContact CG-CB 4.43Å; P554-R640 HydrophobicContact CG-CG 4.46Å; P554-R640 WeakPolarHBondContact O-CB 3.26Å; H555-R640 HydrophobicContact CB-CG 4.47Å; G556-R640 PolarHBondContact O-N 3.27Å; D636-R640 VanDerWaalsContact CA-NH2 3.26Å; D636-R640 WeakPolarHBondContact O-CG 3.48Å; D636-R640 VanDerWaalsContact O-CZ 3.25Å; D636-R640 PolarHBondContact O-NE 3.38Å; D636-R640 PolarHBondContact O-NH1 3.02Å; D636-R640 IonicContact OD1-CZ 3.32Å; D636-R640 IonicContact OD1-NH1 2.67Å; D636-R640 IonicContact OD1-NH2 3.62Å; D636-R640 PolarHBondContact OD1-NH2 2.95Å; R640-D705 IonicContact CZ-OD1 3.84Å; R640-D705 IonicContact NH1-OD1 3.74Å; R640-D705 PolarHBondContact NH1-OD1 3.47Å; R640-Y706 WeakPolarHBondContact CD-O 3.41Å; R640-Y706 PolarHBondContact NH1-O 3.21Å; R640-G707 CarbonylContact O-C 3.56Å; R640-G707 WeakPolarHBondContact O-CA 3.4Å; R640-A708 PolarHBondContact O-N 3Å; R640-F750 HydrophobicContact CB-CE1 4.34Å; R640-F750 WeakPolarHBondContact O-CZ 3.29Å
641G94.7Very high88.4Confident0 Ų025.9 Ų25.90%016%0.157CC..EExtended strand (participates in β ladder)trans-144.8144.6170.200000114.3G556 L558 G639 A708G556-G641 PolarHBondContact O-N 3.2Å; L558-G641 PolarHBondContact N-O 3.5Å; G639-G641 PolarHBondContact O-N 2.93Å; G641-A708 CarbonylContact C-O 3.52Å; G641-A708 VanDerWaalsContact CA-O 3.3Å; G641-A708 WeakPolarHBondContact CA-O 3.46Å
642V96Very high89.6Confident0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-121.2125.9170.9159.20000110.2L558 F560 I644 I696 V699 A708 I709 F710L558-V642 HydrophobicContact CB-CG2 3.92Å; L558-V642 HydrophobicContact CD1-CG2 3.95Å; L558-V642 HydrophobicContact CG-CG2 4.37Å; L558-V642 CarbonylContact O-C 3.52Å; L558-V642 WeakPolarHBondContact O-CA 3.42Å; F560-V642 HydrophobicContact CD2-CG1 4.13Å; F560-V642 HydrophobicContact CE2-CG1 4.49Å; F560-V642 HydrophobicContact CE2-CG2 4.16Å; V642-I644 HydrophobicContact CG1-CD1 3.52Å; V642-I644 HydrophobicContact CG1-CG1 4.01Å; V642-I696 HydrophobicContact CG1-CG2 4.32Å; V642-V699 HydrophobicContact CB-CG2 3.53Å; V642-V699 HydrophobicContact CG2-CG2 3.31Å; V642-A708 PolarHBondContact N-O 2.97Å; V642-I709 WeakPolarHBondContact O-CA 3.44Å; V642-F710 WeakPolarHBondContact O-CD2 3.45Å; V642-F710 PolarHBondContact O-N 2.85Å
643I97.3Very high90.3Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-105.1125.7168-62.3171.2000108.8V546 L549 L557 L558 V559 F560 T645 F710V546-I643 HydrophobicContact CG1-CD1 4.36Å; V546-I643 HydrophobicContact CG2-CD1 4.14Å; V546-I643 HydrophobicContact CG2-CG2 4.44Å; L549-I643 HydrophobicContact CB-CD1 3.91Å; L549-I643 HydrophobicContact CD1-CD1 3.67Å; L549-I643 HydrophobicContact CD1-CG1 3.98Å; L549-I643 HydrophobicContact CG-CD1 4.45Å; L557-I643 HydrophobicContact CD1-CD1 3.93Å; L557-I643 HydrophobicContact CD1-CG1 4.02Å; L557-I643 HydrophobicContact CD2-CD1 4.12Å; L557-I643 HydrophobicContact CG-CD1 4.42Å; L558-I643 PolarHBondContact O-N 2.88Å; V559-I643 HydrophobicContact CG1-CB 4.23Å; V559-I643 HydrophobicContact CG1-CG2 4.25Å; V559-I643 HydrophobicContact CG2-CB 4.43Å; V559-I643 HydrophobicContact CG2-CD1 4.27Å; F560-I643 PolarHBondContact N-O 3.23Å; I643-T645 HydrophobicContact CG2-CG2 3.96Å; I643-F710 HydrophobicContact CB-CB 4.49Å; I643-F710 HydrophobicContact CG1-CB 4.01Å; I643-F710 HydrophobicContact CG1-CD2 3.77Å; I643-F710 HydrophobicContact CG1-CG 4.24Å
644I97.3Very high91Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-103.4109.8170.6-53-58.1000107.6F560 V642 G646 V692 A695 I696 F710 L711 C712 F716F560-I644 HydrophobicContact CB-CD1 4.04Å; F560-I644 HydrophobicContact CD2-CD1 4.26Å; V642-I644 HydrophobicContact CG1-CD1 3.52Å; V642-I644 HydrophobicContact CG1-CG1 4.01Å; I644-G646 VanDerWaalsContact C-N 3.26Å; I644-G646 VanDerWaalsContact CG2-O 3.3Å; I644-G646 WeakPolarHBondContact CG2-O 3.5Å; I644-G646 PolarHBondContact O-N 2.93Å; I644-V692 HydrophobicContact CG1-CG1 4.29Å; I644-V692 HydrophobicContact CG2-CG1 4.27Å; I644-V692 HydrophobicContact CG2-CG2 4.14Å; I644-A695 HydrophobicContact CD1-CB 3.64Å; I644-I696 HydrophobicContact CD1-CG2 4Å; I644-I696 HydrophobicContact CG1-CG2 3.81Å; I644-F710 PolarHBondContact N-O 3.47Å; I644-L711 HydrophobicContact CB-CD2 4Å; I644-L711 HydrophobicContact CG1-CD2 3.8Å; I644-C712 WeakPolarHBondContact O-CB 3.37Å; I644-C712 PolarHBondContact O-N 3Å; I644-F716 HydrophobicContact CG2-CE2 4.33Å; I644-F716 HydrophobicContact CG2-CZ 4.03Å
645T95.7Very high91.3Very high5 Ų536.3 Ų36.33%0.03119%0.19CC..  trans-83.74.6-173.969.50000114.4L542 V559 F560 F561 P562 I643L542-T645 HydrophobicContact CD1-CG2 4.1Å; L542-T645 HydrophobicContact CD2-CG2 4.22Å; V559-T645 HydrophobicContact CG1-CG2 3.75Å; F560-T645 PolarHBondContact O-N 3.49Å; F560-T645 PolarHBondContact O-OG1 3.25Å; F561-T645 WeakPolarHBondContact CA-OG1 3.48Å; F561-T645 VanDerWaalsContact CD1-OG1 3.3Å; F561-T645 WeakPolarHBondContact CD1-OG1 3.29Å; F561-T645 HydrophobicContact CD2-CG2 4.28Å; F561-T645 HydrophobicContact CE1-CG2 4.33Å; F561-T645 HydrophobicContact CE2-CG2 3.96Å; F561-T645 WeakPolarHBondContact CG-OG1 3.39Å; F561-T645 HydrophobicContact CZ-CG2 4.01Å; P562-T645 WeakPolarHBondContact CD-OG1 3.47Å; I643-T645 HydrophobicContact CG2-CG2 3.96Å
646G93.9Very high91.8Very high0 Ų037.7 Ų37.70%019%0.189CC..SBendtrans165.8-177.517800000114.2S528 I644S528-G646 WeakPolarHBondContact OG-CA 3.48Å; I644-G646 VanDerWaalsContact C-N 3.26Å; I644-G646 VanDerWaalsContact CG2-O 3.3Å; I644-G646 WeakPolarHBondContact CG2-O 3.5Å; I644-G646 PolarHBondContact O-N 2.93Å
647L93.1Very high92Very high8 Ų835.3 Ų35.34%0.04218%0.176CC..  trans-92.4121.1177.1-72.5168.8000111.2S528 F649 A688 F689 V692 R715 F716S528-L647 PolarHBondContact OG-N 3.34Å; L647-F649 VanDerWaalsContact C-N 3.25Å; L647-F649 HydrophobicContact CB-CD2 3.65Å; L647-F649 HydrophobicContact CB-CE2 3.49Å; L647-F649 VanDerWaalsContact CB-CE2 3.49Å; L647-F649 HydrophobicContact CD1-CE2 3.7Å; L647-F649 HydrophobicContact CD1-CZ 4.25Å; L647-F649 HydrophobicContact CG-CE2 4.2Å; L647-F649 PolarHBondContact O-N 3.02Å; L647-A688 HydrophobicContact CB-CB 4.44Å; L647-F689 HydrophobicContact CD1-CZ 4.22Å; L647-F689 HydrophobicContact CD2-CD1 4.27Å; L647-F689 HydrophobicContact CD2-CE1 3.73Å; L647-F689 HydrophobicContact CD2-CE2 4.08Å; L647-F689 HydrophobicContact CD2-CZ 3.6Å; L647-V692 HydrophobicContact CD2-CG2 4.24Å; L647-R715 HydrophobicContact CD1-CB 3.86Å; L647-F716 HydrophobicContact CD2-CD1 4.38Å; L647-F716 HydrophobicContact CD2-CE1 3.55Å; L647-F716 HydrophobicContact CD2-CE2 4.28Å; L647-F716 HydrophobicContact CD2-CZ 3.49Å; L647-F716 VanDerWaalsContact CD2-CZ 3.49Å; L647-F716 HydrophobicContact CG-CE1 4.37Å; L647-F716 HydrophobicContact CG-CE2 4.32Å; L647-F716 HydrophobicContact CG-CZ 4Å
648P93Very high92.1Very high6 Ų636.6 Ų36.64%0.03918%0.184CC..  trans-80.465-179.234.7-36.8000112P562 C624 A688 A691 V692P562-P648 HydrophobicContact CB-CB 4.46Å; C624-P648 HydrophobicContact CB-CB 3.65Å; C624-P648 HydrophobicContact CB-CG 3.8Å; P648-A688 WeakPolarHBondContact CG-O 3.27Å; P648-A691 HydrophobicContact CB-CB 4.48Å; P648-A691 HydrophobicContact CG-CB 3.73Å; P648-V692 HydrophobicContact CG-CG2 4.1Å
649F92.1Very high92.3Very high63 Ų6334.9 Ų34.928%0.27618%0.177SC..  trans-66.4138.9174.5-78.8-80.2000112L647 Y684 A688L647-F649 VanDerWaalsContact C-N 3.25Å; L647-F649 HydrophobicContact CB-CD2 3.65Å; L647-F649 HydrophobicContact CB-CE2 3.49Å; L647-F649 VanDerWaalsContact CB-CE2 3.49Å; L647-F649 HydrophobicContact CD1-CE2 3.7Å; L647-F649 HydrophobicContact CD1-CZ 4.25Å; L647-F649 HydrophobicContact CG-CE2 4.2Å; L647-F649 PolarHBondContact O-N 3.02Å; F649-Y684 HydrophobicContact CB-CE1 4.49Å; F649-Y684 AromaticContact CD1-CD1 3.76Å; F649-Y684 HydrophobicContact CD1-CD1 3.76Å; F649-Y684 AromaticContact CD1-CE1 3.35Å; F649-Y684 HydrophobicContact CD1-CE1 3.35Å; F649-Y684 HydrophobicContact CD1-CE2 4.34Å; F649-Y684 HydrophobicContact CD1-CG 4.41Å; F649-Y684 AromaticContact CD1-CZ 3.67Å; F649-Y684 WeakPolarHBondContact CD1-O 3.49Å; F649-Y684 AromaticContact CE1-CD1 3.9Å; F649-Y684 HydrophobicContact CE1-CD1 3.9Å; F649-Y684 AromaticContact CE1-CE1 3.8Å; F649-Y684 HydrophobicContact CE1-CE1 3.8Å; F649-Y684 HydrophobicContact CG-CE1 4.18Å; F649-A688 HydrophobicContact CD1-CB 3.9Å; F649-A688 HydrophobicContact CD2-CB 4.21Å; F649-A688 HydrophobicContact CE1-CB 4.08Å; F649-A688 HydrophobicContact CE2-CB 4.37Å; F649-A688 HydrophobicContact CG-CB 3.98Å; F649-A688 HydrophobicContact CZ-CB 4.31Å
650P89.4Confident92.4Very high18 Ų1835 Ų3512%0.11718%0.178CC..  trans-57.2154.4165.7-22.233000111.9K652 V657 Y684 Q687P650-K652 PolarHBondContact O-N 3.49Å; P650-K652 VanDerWaalsContact O-N 3.1Å; P650-V657 HydrophobicContact CB-CG1 4.33Å; P650-V657 HydrophobicContact CB-CG2 3.87Å; P650-Y684 HydrophobicContact CB-CE2 4.11Å; P650-Y684 HydrophobicContact CG-CD2 4.47Å; P650-Y684 HydrophobicContact CG-CE2 4.32Å; P650-Y684 VanDerWaalsContact O-CE2 3.29Å; P650-Y684 WeakPolarHBondContact O-CE2 3.47Å; P650-Y684 PolarHBondContact O-OH 3.31Å; P650-Q687 HydrophobicContact CG-CB 3.8Å; P650-Q687 HydrophobicContact CG-CG 4.49Å
651P89.1Confident92.4Very high91 Ų9136 Ų3659%0.59118%0.183SC*.  trans-63.7114.4178.4-17.631000110.6F653 D654P651-F653 PolarHBondContact O-N 3.2Å; P651-F653 VanDerWaalsContact O-N 3.09Å; P651-D654 HydrophobicContact CB-CB 4.19Å; P651-D654 VanDerWaalsContact O-CB 3.3Å; P651-D654 WeakPolarHBondContact O-CB 3.48Å; P651-D654 PolarHBondContact O-N 2.84Å; P651-D654 VanDerWaalsContact O-N 3.09Å
652K87.5Confident92.2Very high115 Ų11540.6 Ų40.650%0.520%0.204SC..THydrogen-bonded Turntrans-60.7-25-173-163.9-178.3175.4-172.90114.1P650 V658P650-K652 PolarHBondContact O-N 3.49Å; P650-K652 VanDerWaalsContact O-N 3.1Å; K652-V658 WeakPolarHBondContact O-CG2 3.05Å
653F87.1Confident92Very high178 Ų17840.7 Ų40.778%0.78121%0.205SC*.THydrogen-bonded Turntrans-97.63.4-178.3-57.2-66.8000113.8P651P651-F653 PolarHBondContact O-N 3.2Å; P651-F653 VanDerWaalsContact O-N 3.09Å
654D89.1Confident91.7Very high63 Ų6341.3 Ų41.334%0.33721%0.208SC..  trans-64.8123.8169.2176.4-22.2000109P651 R656 V657 V658P651-D654 HydrophobicContact CB-CB 4.19Å; P651-D654 VanDerWaalsContact O-CB 3.3Å; P651-D654 WeakPolarHBondContact O-CB 3.48Å; P651-D654 PolarHBondContact O-N 2.84Å; P651-D654 VanDerWaalsContact O-N 3.09Å; D654-R656 PolarHBondContact O-N 2.59Å; D654-R656 WeakPolarHBondContact OD1-CB 3.43Å; D654-R656 PolarHBondContact OD1-N 3.36Å; D654-V657 HydrophobicContact CB-CB 4.06Å; D654-V657 HydrophobicContact CB-CG2 3.78Å; D654-V657 WeakPolarHBondContact O-CB 3.42Å; D654-V657 PolarHBondContact O-N 3.36Å; D654-V658 WeakPolarHBondContact O-CG2 3.21Å; D654-V658 PolarHBondContact O-N 3.03Å
655P89.8Confident91.4Very high56 Ų5643.9 Ų43.936%0.36422%0.221SC..Hα-helixtrans-52.8-38.3179.4-27.435.2000113.3H423 W457 V657 V658 L659H423-P655 WeakPolarHBondContact NE2-CB 3.48Å; W457-P655 HydrophobicContact CH2-CB 4.34Å; W457-P655 HydrophobicContact CZ3-CB 4.24Å; P655-V657 VanDerWaalsContact C-N 3.33Å; P655-V657 PolarHBondContact O-N 3.28Å; P655-V658 PolarHBondContact O-N 2.92Å; P655-L659 WeakPolarHBondContact O-CB 3.39Å; P655-L659 VanDerWaalsContact O-CG 3.24Å; P655-L659 WeakPolarHBondContact O-CG 3.22Å; P655-L659 PolarHBondContact O-N 3.35Å
656R91.1Very high91Very high56 Ų5646.6 Ų46.621%0.21123%0.234CC..Hα-helixtrans-66.7-36.2179.4-166.9175.1178.9126.17.8111.5S264 W457 F459 D654 K660S264-R656 PolarHBondContact OG-NH2 3.3Å; W457-R656 HydrophobicContact CD2-CG 4.16Å; W457-R656 HydrophobicContact CE3-CB 4.1Å; W457-R656 HydrophobicContact CE3-CG 4.05Å; W457-R656 HydrophobicContact CH2-CB 4.03Å; W457-R656 HydrophobicContact CZ2-CB 4.47Å; W457-R656 HydrophobicContact CZ3-CB 3.83Å; W457-R656 HydrophobicContact CZ3-CG 4.3Å; F459-R656 HydrophobicContact CE1-CG 3.8Å; F459-R656 WeakPolarHBondContact CE1-O 3.48Å; F459-R656 HydrophobicContact CZ-CG 4.29Å; D654-R656 PolarHBondContact O-N 2.59Å; D654-R656 WeakPolarHBondContact OD1-CB 3.43Å; D654-R656 PolarHBondContact OD1-N 3.36Å; R656-K660 WeakPolarHBondContact O-CB 3.45Å; R656-K660 PolarHBondContact O-N 2.92Å
657V92.5Very high90.5Very high12 Ų1248.1 Ų48.17%0.07324%0.241CC..Hα-helixtrans-69.7-45.8174.7177.50000110.8P650 D654 P655 K660 M661 W683 Y684P650-V657 HydrophobicContact CB-CG1 4.33Å; P650-V657 HydrophobicContact CB-CG2 3.87Å; D654-V657 HydrophobicContact CB-CB 4.06Å; D654-V657 HydrophobicContact CB-CG2 3.78Å; D654-V657 WeakPolarHBondContact O-CB 3.42Å; D654-V657 PolarHBondContact O-N 3.36Å; P655-V657 VanDerWaalsContact C-N 3.33Å; P655-V657 PolarHBondContact O-N 3.28Å; V657-K660 PolarHBondContact O-N 3.19Å; V657-M661 HydrophobicContact CG1-SD 4.36Å; V657-M661 WeakPolarHBondContact O-CG 3.23Å; V657-M661 PolarHBondContact O-N 3.34Å; V657-W683 HydrophobicContact CG1-CZ3 4.16Å; V657-Y684 HydrophobicContact CG1-CD2 3.96Å; V657-Y684 HydrophobicContact CG1-CE2 3.96Å
658V92.4Very high89.9Confident49 Ų4949.2 Ų49.230%0.29725%0.25SC..Hα-helixtrans-61.5-48.8178.5175.40000111.2K652 D654 P655 M661 Q662K652-V658 WeakPolarHBondContact O-CG2 3.05Å; D654-V658 WeakPolarHBondContact O-CG2 3.21Å; D654-V658 PolarHBondContact O-N 3.03Å; P655-V658 PolarHBondContact O-N 2.92Å; V658-M661 PolarHBondContact O-N 2.99Å; V658-Q662 WeakPolarHBondContact O-CG 3.44Å; V658-Q662 PolarHBondContact O-N 2.98Å
659L92.8Very high89.5Confident11 Ų1158 Ų586%0.05828%0.282CS..Hα-helixtrans-68.2-35.6-179-66.4-176.8000112.4T342 H423 W457 F459 P655 Q662 F663T342-L659 HydrophobicContact CG2-CD1 3.69Å; T342-L659 HydrophobicContact CG2-CD2 3.75Å; T342-L659 HydrophobicContact CG2-CG 4.39Å; H423-L659 HydrophobicContact CB-CD1 4.25Å; W457-L659 HydrophobicContact CE3-CD1 4.23Å; W457-L659 HydrophobicContact CZ3-CD1 4.13Å; F459-L659 HydrophobicContact CE2-CB 3.63Å; F459-L659 HydrophobicContact CZ-CB 3.54Å; P655-L659 WeakPolarHBondContact O-CB 3.39Å; P655-L659 VanDerWaalsContact O-CG 3.24Å; P655-L659 WeakPolarHBondContact O-CG 3.22Å; P655-L659 PolarHBondContact O-N 3.35Å; L659-Q662 PolarHBondContact O-N 3.37Å; L659-F663 VanDerWaalsContact O-CB 3.26Å; L659-F663 WeakPolarHBondContact O-CB 3.29Å; L659-F663 PolarHBondContact O-N 3.48Å
660K92.9Very high88.6Confident3 Ų361.7 Ų61.71%0.01330%0.298CS..Hα-helixtrans-62.1-43.7171.5175.561.9-177.1-160.70112.1E260 F459 E492 R656 V657 F663 L664 W683E260-K660 IonicContact OE1-NZ 3.14Å; E260-K660 PolarHBondContact OE1-NZ 3.47Å; F459-K660 HydrophobicContact CB-CD 3.94Å; F459-K660 HydrophobicContact CD1-CB 3.64Å; F459-K660 HydrophobicContact CD1-CD 3.8Å; F459-K660 HydrophobicContact CD1-CG 4.22Å; F459-K660 HydrophobicContact CE1-CB 3.74Å; F459-K660 HydrophobicContact CG-CB 4.41Å; F459-K660 HydrophobicContact CG-CD 4.24Å; F459-K660 PolarHBondContact O-NZ 3.08Å; E492-K660 VanDerWaalsContact OE1-CE 3.25Å; E492-K660 WeakPolarHBondContact OE1-CE 3.23Å; E492-K660 IonicContact OE1-NZ 2.69Å; E492-K660 PolarHBondContact OE1-NZ 3.24Å; R656-K660 WeakPolarHBondContact O-CB 3.45Å; R656-K660 PolarHBondContact O-N 2.92Å; V657-K660 PolarHBondContact O-N 3.19Å; K660-F663 PolarHBondContact O-N 3.15Å; K660-L664 HydrophobicContact CD-CG 4.46Å; K660-L664 WeakPolarHBondContact O-CG 3.47Å; K660-L664 PolarHBondContact O-N 3.16Å; K660-W683 HydrophobicContact CB-CH2 4.06Å; K660-W683 HydrophobicContact CB-CZ2 4.47Å; K660-W683 HydrophobicContact CB-CZ3 4.29Å; K660-W683 HydrophobicContact CD-CZ2 4.32Å; K660-W683 HydrophobicContact CG-CD2 4.12Å; K660-W683 HydrophobicContact CG-CE3 4.11Å; K660-W683 HydrophobicContact CG-CH2 3.48Å; K660-W683 VanDerWaalsContact CG-CH2 3.48Å; K660-W683 HydrophobicContact CG-CZ2 3.46Å; K660-W683 VanDerWaalsContact CG-CZ2 3.46Å; K660-W683 HydrophobicContact CG-CZ3 3.8Å
661M92.9Very high87.6Confident23 Ų2368.5 Ų68.511%0.11333%0.326CS..Hα-helixtrans-62.2-48175.1-70.2178.270.900111.3V657 V658 F663 L664 D665 W683 Y684V657-M661 HydrophobicContact CG1-SD 4.36Å; V657-M661 WeakPolarHBondContact O-CG 3.23Å; V657-M661 PolarHBondContact O-N 3.34Å; V658-M661 PolarHBondContact O-N 2.99Å; M661-F663 PolarHBondContact O-N 3.23Å; M661-L664 PolarHBondContact O-N 2.97Å; M661-D665 PolarHBondContact O-N 3.06Å; M661-W683 HydrophobicContact CG-CE3 3.93Å; M661-W683 HydrophobicContact CG-CZ3 3.94Å; M661-Y684 HydrophobicContact CE-CG 4.34Å; M661-Y684 HydrophobicContact SD-CD2 4.08Å; M661-Y684 HydrophobicContact SD-CG 4.05Å
662Q92.2Very high86.4Confident95 Ų9567.4 Ų67.444%0.44432%0.32SS..Hα-helixtrans-60.3-43177.3-71.8175.6-0.700112.2V658 L659 L664 D665 E666V658-Q662 WeakPolarHBondContact O-CG 3.44Å; V658-Q662 PolarHBondContact O-N 2.98Å; L659-Q662 PolarHBondContact O-N 3.37Å; Q662-L664 PolarHBondContact O-N 2.99Å; Q662-D665 PolarHBondContact O-N 3.25Å; Q662-E666 WeakPolarHBondContact O-CB 3.49Å; Q662-E666 WeakPolarHBondContact O-CG 3.32Å; Q662-E666 PolarHBondContact O-N 3.14Å
663F91.1Very high85Confident3 Ų368.3 Ų68.31%0.01334%0.338CS..Hα-helixtrans-61.4-42.6176.4173.8-100.6000112.7F459 L659 K660 M661 E666 M667F459-F663 HydrophobicContact CB-CB 4.12Å; F459-F663 HydrophobicContact CB-CD1 3.38Å; F459-F663 HydrophobicContact CB-CD2 4.37Å; F459-F663 HydrophobicContact CB-CE1 3.76Å; F459-F663 HydrophobicContact CB-CG 3.7Å; F459-F663 HydrophobicContact CB-CZ 4.4Å; F459-F663 HydrophobicContact CD2-CB 4.28Å; F459-F663 HydrophobicContact CD2-CG 4.47Å; F459-F663 HydrophobicContact CG-CB 4.44Å; F459-F663 HydrophobicContact CG-CD1 4.5Å; F459-F663 HydrophobicContact CG-CG 4.46Å; F459-F663 WeakPolarHBondContact O-CD1 3.37Å; F459-F663 WeakPolarHBondContact O-CE1 3.42Å; L659-F663 VanDerWaalsContact O-CB 3.26Å; L659-F663 WeakPolarHBondContact O-CB 3.29Å; L659-F663 PolarHBondContact O-N 3.48Å; K660-F663 PolarHBondContact O-N 3.15Å; M661-F663 PolarHBondContact O-N 3.23Å; F663-E666 PolarHBondContact O-N 2.91Å; F663-M667 HydrophobicContact CD2-CG 4.32Å; F663-M667 HydrophobicContact CE1-CG 4.23Å; F663-M667 HydrophobicContact CE2-CG 3.99Å; F663-M667 HydrophobicContact CE2-SD 4.46Å; F663-M667 HydrophobicContact CZ-CG 3.96Å; F663-M667 WeakPolarHBondContact O-CB 3.35Å; F663-M667 VanDerWaalsContact O-CG 3.26Å; F663-M667 WeakPolarHBondContact O-CG 3.49Å; F663-M667 PolarHBondContact O-N 2.97Å
664L90.3Very high83.8Confident13 Ų1364.2 Ų64.27%0.06835%0.346CS..Hα-helixtrans-63-42.8174.2-73.7178000111.6K660 M661 Q662 M667 S668 W683K660-L664 HydrophobicContact CD-CG 4.46Å; K660-L664 WeakPolarHBondContact O-CG 3.47Å; K660-L664 PolarHBondContact O-N 3.16Å; M661-L664 PolarHBondContact O-N 2.97Å; Q662-L664 PolarHBondContact O-N 2.99Å; L664-M667 PolarHBondContact O-N 3.47Å; L664-S668 VanDerWaalsContact O-CB 3.27Å; L664-S668 WeakPolarHBondContact O-CB 3.44Å; L664-S668 PolarHBondContact O-N 2.98Å; L664-W683 HydrophobicContact CD1-CB 3.38Å; L664-W683 HydrophobicContact CD1-CD2 3.99Å; L664-W683 HydrophobicContact CD1-CG 3.44Å; L664-W683 VanDerWaalsContact CD1-CG 3.44Å
665D90.9Very high82.7Confident53 Ų5364.6 Ų64.628%0.28335%0.347SS..Hα-helixtrans-70.7-30.6178-66.5-25.1000113.3M661 Q662 R669 G680M661-D665 PolarHBondContact O-N 3.06Å; Q662-D665 PolarHBondContact O-N 3.25Å; D665-R669 WeakPolarHBondContact O-CG 3.31Å; D665-R669 PolarHBondContact O-N 3.42Å; D665-R669 PolarHBondContact O-NE 3.35Å; D665-G680 PolarHBondContact OD1-N 3.15Å
666E88.6Confident81.8Confident63 Ų6370.4 Ų70.429%0.29436%0.361SS..Hα-helixtrans-65.2-47169.3-78.4173.3-148.800111K421 Q662 F663 R669 K670K421-E666 IonicContact NZ-OE1 3.29Å; K421-E666 PolarHBondContact NZ-OE1 3.42Å; K421-E666 IonicContact NZ-OE2 3.91Å; K421-E666 PolarHBondContact NZ-OE2 3.44Å; Q662-E666 WeakPolarHBondContact O-CB 3.49Å; Q662-E666 WeakPolarHBondContact O-CG 3.32Å; Q662-E666 PolarHBondContact O-N 3.14Å; F663-E666 PolarHBondContact O-N 2.91Å; E666-R669 WeakPolarHBondContact O-CB 3.33Å; E666-R669 PolarHBondContact O-N 2.95Å; E666-K670 PolarHBondContact O-N 3.02Å; E666-K670 VanDerWaalsContact O-N 3.15Å
667M82.6Confident81.2Confident31 Ų3170.5 Ų70.515%0.15336%0.362CS..Hα-helixtrans-70.3-36.1-178.8-70.5-61.6-6500112.2F663 L664 R669 K670 Y677F663-M667 HydrophobicContact CD2-CG 4.32Å; F663-M667 HydrophobicContact CE1-CG 4.23Å; F663-M667 HydrophobicContact CE2-CG 3.99Å; F663-M667 HydrophobicContact CE2-SD 4.46Å; F663-M667 HydrophobicContact CZ-CG 3.96Å; F663-M667 WeakPolarHBondContact O-CB 3.35Å; F663-M667 VanDerWaalsContact O-CG 3.26Å; F663-M667 WeakPolarHBondContact O-CG 3.49Å; F663-M667 PolarHBondContact O-N 2.97Å; L664-M667 PolarHBondContact O-N 3.47Å; M667-R669 PolarHBondContact O-N 3.44Å; M667-K670 CarbonylContact O-C 3.58Å; M667-K670 VanDerWaalsContact O-C 3.31Å; M667-K670 WeakPolarHBondContact O-CA 3.3Å; M667-K670 PolarHBondContact O-N 3.14Å; M667-K670 HydrophobicContact SD-CD 4.5Å; M667-Y677 HydrophobicContact CB-CD1 4.33Å; M667-Y677 HydrophobicContact CB-CE1 4.3Å; M667-Y677 VanDerWaalsContact O-CD1 3.31Å; M667-Y677 WeakPolarHBondContact O-CD1 3.48Å; M667-Y677 WeakPolarHBondContact O-CE1 3.38Å
668S81.3Confident80.8Confident32 Ų3270.3 Ų70.322%0.22436%0.361CS..Hα-helixtrans-65.8-23.9174.3-168.60000113.3L664 K671L664-S668 VanDerWaalsContact O-CB 3.27Å; L664-S668 WeakPolarHBondContact O-CB 3.44Å; L664-S668 PolarHBondContact O-N 2.98Å; S668-K671 WeakPolarHBondContact O-CE 3.28Å; S668-K671 WeakPolarHBondContact O-CG 3.32Å
669R83.1Confident80.7Confident189 Ų18969.4 Ų69.471%0.71336%0.356SS*.Hα-helixtrans-75.3-41.5167.1-73.3171.9-109.5-168.1-6.9111.7D665 E666 M667 K671D665-R669 WeakPolarHBondContact O-CG 3.31Å; D665-R669 PolarHBondContact O-N 3.42Å; D665-R669 PolarHBondContact O-NE 3.35Å; E666-R669 WeakPolarHBondContact O-CB 3.33Å; E666-R669 PolarHBondContact O-N 2.95Å; M667-R669 PolarHBondContact O-N 3.44Å; R669-K671 PolarHBondContact O-N 3.06Å
670K74.8Confident80.6Confident141 Ų14168.9 Ų68.961%0.61335%0.353SS*.SBendtrans-78.157.4176.6-64.6179.6179.2-179.20112.5E666 M667 S672 Y677E666-K670 PolarHBondContact O-N 3.02Å; E666-K670 VanDerWaalsContact O-N 3.15Å; M667-K670 CarbonylContact O-C 3.58Å; M667-K670 VanDerWaalsContact O-C 3.31Å; M667-K670 WeakPolarHBondContact O-CA 3.3Å; M667-K670 PolarHBondContact O-N 3.14Å; M667-K670 HydrophobicContact SD-CD 4.5Å; K670-S672 PolarHBondContact O-N 3.38Å; K670-S672 VanDerWaalsContact O-N 3.08Å; K670-Y677 PolarHBondContact O-OH 3.25Å
671K67Low80.5Confident162 Ų16273.1 Ų73.170%0.70437%0.373SS*.  trans-62.5106.2-175.5-63.4-177.9-179.5176.10112.6S668 R669S668-K671 WeakPolarHBondContact O-CE 3.28Å; S668-K671 WeakPolarHBondContact O-CG 3.32Å; R669-K671 PolarHBondContact O-N 3.06Å
672S65.5Low80.3Confident67 Ų6776.4 Ų76.447%0.46939%0.388SS..  trans-76.9135.9163.2-53.40000110K670 G674 M675 Y677K670-S672 PolarHBondContact O-N 3.38Å; K670-S672 VanDerWaalsContact O-N 3.08Å; S672-G674 PolarHBondContact O-N 3.42Å; S672-M675 PolarHBondContact O-N 3.06Å; S672-Y677 WeakPolarHBondContact CB-OH 3.49Å; S672-Y677 PolarHBondContact N-OH 2.73Å; S672-Y677 PolarHBondContact OG-OH 3.49Å; S672-Y677 VanDerWaalsContact OG-OH 3.13Å
673P57.1Low80.2Confident135 Ų13572.8 Ų72.888%0.87737%0.371SS*.THydrogen-bonded Turntrans-63.2137.6-179.725.7-33.8000111.5M675P673-M675 PolarHBondContact O-N 2.98Å
674G63Low80.2Confident91 Ų9173.8 Ų73.894%0.93837%0.374SS*.THydrogen-bonded Turntrans84.3-4.9177.800000116.2S672S672-G674 PolarHBondContact O-N 3.42Å
675M65.2Low80.2Confident72 Ų7276.1 Ų76.136%0.35538%0.384SS..  trans-101.4140173.1-161.370.880.700110.8R494 S672 P673 Y677R494-M675 HydrophobicContact CB-CE 4.41Å; R494-M675 WeakPolarHBondContact O-CE 3.41Å; S672-M675 PolarHBondContact O-N 3.06Å; P673-M675 PolarHBondContact O-N 2.98Å; M675-Y677 HydrophobicContact CB-CE2 3.86Å; M675-Y677 HydrophobicContact CG-CE2 4.33Å; M675-Y677 WeakPolarHBondContact O-CD2 3.28Å
676R71.1Confident80.1Confident177 Ų17774 Ų7467%0.66837%0.372SS*.  trans-87.8143.6167-73.7-175178.6177.10.5109.6S491S491-R676 WeakPolarHBondContact CB-O 3.41Å; S491-R676 WeakPolarHBondContact OG-CB 3.45Å
677Y78.5Confident80.1Confident58 Ų5872 Ų7223%0.22736%0.363CS..  trans-118.9146.9-179.5-69.1-96.8000110M667 K670 S672 M675M667-Y677 HydrophobicContact CB-CD1 4.33Å; M667-Y677 HydrophobicContact CB-CE1 4.3Å; M667-Y677 VanDerWaalsContact O-CD1 3.31Å; M667-Y677 WeakPolarHBondContact O-CD1 3.48Å; M667-Y677 WeakPolarHBondContact O-CE1 3.38Å; K670-Y677 PolarHBondContact O-OH 3.25Å; S672-Y677 WeakPolarHBondContact CB-OH 3.49Å; S672-Y677 PolarHBondContact N-OH 2.73Å; S672-Y677 PolarHBondContact OG-OH 3.49Å; S672-Y677 VanDerWaalsContact OG-OH 3.13Å; M675-Y677 HydrophobicContact CB-CE2 3.86Å; M675-Y677 HydrophobicContact CG-CE2 4.33Å; M675-Y677 WeakPolarHBondContact O-CD2 3.28Å
678L84.6Confident80.5Confident9 Ų970.5 Ų70.55%0.04736%0.356CS..  trans-107.9132.2178-173.363.4000108.2E682 W683L678-E682 HydrophobicContact CD1-CB 3.55Å; L678-E682 HydrophobicContact CG-CB 4.3Å; L678-W683 HydrophobicContact CD2-CB 3.75Å; L678-W683 HydrophobicContact CD2-CG 4.41Å; L678-W683 HydrophobicContact CG-CB 4.12Å
679S89.8Confident81Confident29 Ų2969.3 Ų69.320%0.20335%0.347CS..  trans-75155.9171.866.60000111.5Q681 E682 W683S679-Q681 PolarHBondContact O-N 2.75Å; S679-E682 VanDerWaalsContact CB-OE2 3.29Å; S679-E682 WeakPolarHBondContact CB-OE2 3.34Å; S679-E682 PolarHBondContact N-OE2 3.35Å; S679-E682 PolarHBondContact O-N 2.91Å; S679-E682 WeakPolarHBondContact OG-CB 3.28Å; S679-E682 VanDerWaalsContact OG-CD 3.25Å; S679-E682 VanDerWaalsContact OG-CG 3.23Å; S679-E682 WeakPolarHBondContact OG-CG 3.47Å; S679-E682 PolarHBondContact OG-N 3.09Å; S679-E682 PolarHBondContact OG-OE2 3.36Å; S679-W683 PolarHBondContact O-N 3.06Å
680G90.4Very high81.2Confident0 Ų060.8 Ų60.80%031%0.314CS..Hα-helixtrans-57.1-35.4175.100000112.5D665 Y684D665-G680 PolarHBondContact OD1-N 3.15Å; G680-Y684 VanDerWaalsContact O-CB 3.25Å; G680-Y684 WeakPolarHBondContact O-CB 3.42Å; G680-Y684 PolarHBondContact O-N 3.07Å
681Q89.9Confident82Confident93 Ų9354 Ų5444%0.43529%0.285SS..Hα-helixtrans-75-32.9179.9-174.562.911.800113.3S679 K685S679-Q681 PolarHBondContact O-N 2.75Å; Q681-K685 WeakPolarHBondContact O-CG 3.27Å; Q681-K685 PolarHBondContact O-N 2.78Å; Q681-K685 VanDerWaalsContact O-N 3.13Å
682E89Confident83.1Confident92 Ų9246.3 Ų46.343%0.4325%0.252SS..Hα-helixtrans-70.4-45.4172.1-71.4162.7126.900111.3L678 S679 Y684 K685 Q686L678-E682 HydrophobicContact CD1-CB 3.55Å; L678-E682 HydrophobicContact CG-CB 4.3Å; S679-E682 VanDerWaalsContact CB-OE2 3.29Å; S679-E682 WeakPolarHBondContact CB-OE2 3.34Å; S679-E682 PolarHBondContact N-OE2 3.35Å; S679-E682 PolarHBondContact O-N 2.91Å; S679-E682 WeakPolarHBondContact OG-CB 3.28Å; S679-E682 VanDerWaalsContact OG-CD 3.25Å; S679-E682 VanDerWaalsContact OG-CG 3.23Å; S679-E682 WeakPolarHBondContact OG-CG 3.47Å; S679-E682 PolarHBondContact OG-N 3.09Å; S679-E682 PolarHBondContact OG-OE2 3.36Å; E682-Y684 VanDerWaalsContact C-N 3.31Å; E682-Y684 PolarHBondContact O-N 2.68Å; E682-K685 WeakPolarHBondContact O-CB 3.34Å; E682-K685 PolarHBondContact O-N 2.83Å; E682-Q686 WeakPolarHBondContact O-CG 3.41Å; E682-Q686 PolarHBondContact O-N 2.8Å
683W90.5Very high84.3Confident18 Ų1843.2 Ų43.27%0.06823%0.23CC..Hα-helixtrans-55.8-46172.8173.286.9000111.6E492 V657 K660 M661 L664 L678 S679 K685 Q686 Q687E492-W683 PolarHBondContact OE1-NE1 3.15Å; V657-W683 HydrophobicContact CG1-CZ3 4.16Å; K660-W683 HydrophobicContact CB-CH2 4.06Å; K660-W683 HydrophobicContact CB-CZ2 4.47Å; K660-W683 HydrophobicContact CB-CZ3 4.29Å; K660-W683 HydrophobicContact CD-CZ2 4.32Å; K660-W683 HydrophobicContact CG-CD2 4.12Å; K660-W683 HydrophobicContact CG-CE3 4.11Å; K660-W683 HydrophobicContact CG-CH2 3.48Å; K660-W683 VanDerWaalsContact CG-CH2 3.48Å; K660-W683 HydrophobicContact CG-CZ2 3.46Å; K660-W683 VanDerWaalsContact CG-CZ2 3.46Å; K660-W683 HydrophobicContact CG-CZ3 3.8Å; M661-W683 HydrophobicContact CG-CE3 3.93Å; M661-W683 HydrophobicContact CG-CZ3 3.94Å; L664-W683 HydrophobicContact CD1-CB 3.38Å; L664-W683 HydrophobicContact CD1-CD2 3.99Å; L664-W683 HydrophobicContact CD1-CG 3.44Å; L664-W683 VanDerWaalsContact CD1-CG 3.44Å; L678-W683 HydrophobicContact CD2-CB 3.75Å; L678-W683 HydrophobicContact CD2-CG 4.41Å; L678-W683 HydrophobicContact CG-CB 4.12Å; S679-W683 PolarHBondContact O-N 3.06Å; W683-K685 VanDerWaalsContact C-N 3.34Å; W683-K685 PolarHBondContact O-N 3.3Å; W683-Q686 PolarHBondContact O-N 3.01Å; W683-Q686 VanDerWaalsContact O-N 3.08Å; W683-Q687 HydrophobicContact CD2-CG 4.09Å; W683-Q687 HydrophobicContact CH2-CG 4.27Å; W683-Q687 HydrophobicContact CZ2-CG 3.74Å; W683-Q687 WeakPolarHBondContact O-CG 3.25Å; W683-Q687 PolarHBondContact O-N 2.95Å
684Y91.9Very high85.8Confident24 Ų2437.2 Ų37.29%0.09419%0.19CC..Hα-helixtrans-63.4-36.4178.5-175.7-107.9000112.9F649 P650 V657 M661 G680 E682F649-Y684 HydrophobicContact CB-CE1 4.49Å; F649-Y684 AromaticContact CD1-CD1 3.76Å; F649-Y684 HydrophobicContact CD1-CD1 3.76Å; F649-Y684 AromaticContact CD1-CE1 3.35Å; F649-Y684 HydrophobicContact CD1-CE1 3.35Å; F649-Y684 HydrophobicContact CD1-CE2 4.34Å; F649-Y684 HydrophobicContact CD1-CG 4.41Å; F649-Y684 AromaticContact CD1-CZ 3.67Å; F649-Y684 WeakPolarHBondContact CD1-O 3.49Å; F649-Y684 AromaticContact CE1-CD1 3.9Å; F649-Y684 HydrophobicContact CE1-CD1 3.9Å; F649-Y684 AromaticContact CE1-CE1 3.8Å; F649-Y684 HydrophobicContact CE1-CE1 3.8Å; F649-Y684 HydrophobicContact CG-CE1 4.18Å; P650-Y684 HydrophobicContact CB-CE2 4.11Å; P650-Y684 HydrophobicContact CG-CD2 4.47Å; P650-Y684 HydrophobicContact CG-CE2 4.32Å; P650-Y684 VanDerWaalsContact O-CE2 3.29Å; P650-Y684 WeakPolarHBondContact O-CE2 3.47Å; P650-Y684 PolarHBondContact O-OH 3.31Å; V657-Y684 HydrophobicContact CG1-CD2 3.96Å; V657-Y684 HydrophobicContact CG1-CE2 3.96Å; M661-Y684 HydrophobicContact CE-CG 4.34Å; M661-Y684 HydrophobicContact SD-CD2 4.08Å; M661-Y684 HydrophobicContact SD-CG 4.05Å; G680-Y684 VanDerWaalsContact O-CB 3.25Å; G680-Y684 WeakPolarHBondContact O-CB 3.42Å; G680-Y684 PolarHBondContact O-N 3.07Å; E682-Y684 VanDerWaalsContact C-N 3.31Å; E682-Y684 PolarHBondContact O-N 2.68Å
685K89.7Confident87.1Confident62 Ų6232.9 Ų32.927%0.2715%0.145SC..Hα-helixtrans-61.5-51.5167.7-73.6177179-179.80110.5Q681 E682 W683 Q687 A688 F689 D720Q681-K685 WeakPolarHBondContact O-CG 3.27Å; Q681-K685 PolarHBondContact O-N 2.78Å; Q681-K685 VanDerWaalsContact O-N 3.13Å; E682-K685 WeakPolarHBondContact O-CB 3.34Å; E682-K685 PolarHBondContact O-N 2.83Å; W683-K685 VanDerWaalsContact C-N 3.34Å; W683-K685 PolarHBondContact O-N 3.3Å; K685-Q687 VanDerWaalsContact C-N 3.35Å; K685-Q687 PolarHBondContact O-N 3.22Å; K685-A688 WeakPolarHBondContact O-CB 3.45Å; K685-A688 PolarHBondContact O-N 3.22Å; K685-F689 VanDerWaalsContact O-CD2 3.31Å; K685-F689 WeakPolarHBondContact O-CD2 3.27Å; K685-F689 PolarHBondContact O-N 3.25Å; K685-D720 IonicContact NZ-OD2 3.62Å; K685-D720 PolarHBondContact NZ-OD2 3.07Å
686Q88.4Confident88.2Confident8 Ų829.5 Ų29.54%0.03713%0.129CC..Hα-helixtrans-63.3-35.9-173.9-76.2170-1.400113.7S488 E682 W683 A688 F689 R690S488-Q686 VanDerWaalsContact CB-NE2 3.26Å; S488-Q686 PolarHBondContact OG-NE2 2.84Å; E682-Q686 WeakPolarHBondContact O-CG 3.41Å; E682-Q686 PolarHBondContact O-N 2.8Å; W683-Q686 PolarHBondContact O-N 3.01Å; W683-Q686 VanDerWaalsContact O-N 3.08Å; Q686-A688 PolarHBondContact O-N 2.97Å; Q686-F689 PolarHBondContact O-N 2.86Å; Q686-F689 VanDerWaalsContact O-N 3.11Å; Q686-R690 WeakPolarHBondContact O-CG 3.36Å; Q686-R690 PolarHBondContact O-N 3Å
687Q89.4Confident88.9Confident21 Ų2121.3 Ų21.310%0.09810%0.099CC..Hα-helixtrans-57.1-35.5173.3-74.3-62.3-38.100112.3E256 R625 P650 W683 K685E256-Q687 PolarHBondContact OE1-NE2 3.4Å; R625-Q687 PolarHBondContact NH2-O 3.33Å; P650-Q687 HydrophobicContact CG-CB 3.8Å; P650-Q687 HydrophobicContact CG-CG 4.49Å; W683-Q687 HydrophobicContact CD2-CG 4.09Å; W683-Q687 HydrophobicContact CH2-CG 4.27Å; W683-Q687 HydrophobicContact CZ2-CG 3.74Å; W683-Q687 WeakPolarHBondContact O-CG 3.25Å; W683-Q687 PolarHBondContact O-N 2.95Å; K685-Q687 VanDerWaalsContact C-N 3.35Å; K685-Q687 PolarHBondContact O-N 3.22Å
688A91.4Very high89.2Confident0 Ų020.1 Ų20.10%09%0.094CC..Hα-helixtrans-71.3-46.8172.800000111.9L647 P648 F649 K685 Q686 A691 V692L647-A688 HydrophobicContact CB-CB 4.44Å; P648-A688 WeakPolarHBondContact CG-O 3.27Å; F649-A688 HydrophobicContact CD1-CB 3.9Å; F649-A688 HydrophobicContact CD2-CB 4.21Å; F649-A688 HydrophobicContact CE1-CB 4.08Å; F649-A688 HydrophobicContact CE2-CB 4.37Å; F649-A688 HydrophobicContact CG-CB 3.98Å; F649-A688 HydrophobicContact CZ-CB 4.31Å; K685-A688 WeakPolarHBondContact O-CB 3.45Å; K685-A688 PolarHBondContact O-N 3.22Å; Q686-A688 PolarHBondContact O-N 2.97Å; A688-A691 PolarHBondContact O-N 3.17Å; A688-V692 PolarHBondContact O-N 3.01Å
689F90.6Very high89.2Confident8 Ų819.7 Ų19.74%0.0359%0.092CC..Hα-helixtrans-70-34.7-176.5-75.1-80.8000114.1L647 K685 Q686 A691 V692 N693 F716 A721 Q724L647-F689 HydrophobicContact CD1-CZ 4.22Å; L647-F689 HydrophobicContact CD2-CD1 4.27Å; L647-F689 HydrophobicContact CD2-CE1 3.73Å; L647-F689 HydrophobicContact CD2-CE2 4.08Å; L647-F689 HydrophobicContact CD2-CZ 3.6Å; K685-F689 VanDerWaalsContact O-CD2 3.31Å; K685-F689 WeakPolarHBondContact O-CD2 3.27Å; K685-F689 PolarHBondContact O-N 3.25Å; Q686-F689 PolarHBondContact O-N 2.86Å; Q686-F689 VanDerWaalsContact O-N 3.11Å; F689-A691 VanDerWaalsContact C-N 3.26Å; F689-A691 PolarHBondContact O-N 3.24Å; F689-V692 PolarHBondContact O-N 2.9Å; F689-V692 VanDerWaalsContact O-N 3.11Å; F689-N693 WeakPolarHBondContact O-CB 3.45Å; F689-N693 PolarHBondContact O-N 2.99Å; F689-N693 PolarHBondContact O-OD1 3.29Å; F689-F716 HydrophobicContact CD1-CE1 4.43Å; F689-F716 AromaticContact CE1-CD1 3.95Å; F689-F716 HydrophobicContact CE1-CD1 3.95Å; F689-F716 AromaticContact CE1-CE1 3.72Å; F689-F716 HydrophobicContact CE1-CE1 3.72Å; F689-F716 HydrophobicContact CZ-CE1 4.47Å; F689-A721 HydrophobicContact CE1-CB 4.03Å; F689-A721 WeakPolarHBondContact CE1-O 3.49Å; F689-A721 HydrophobicContact CZ-CB 3.53Å; F689-Q724 HydrophobicContact CB-CB 3.66Å; F689-Q724 HydrophobicContact CB-CG 4.42Å; F689-Q724 HydrophobicContact CD1-CB 3.69Å; F689-Q724 HydrophobicContact CD2-CB 3.64Å; F689-Q724 HydrophobicContact CD2-CG 3.64Å; F689-Q724 HydrophobicContact CE1-CB 4.26Å; F689-Q724 HydrophobicContact CE2-CB 4.23Å; F689-Q724 HydrophobicContact CE2-CG 4.02Å; F689-Q724 HydrophobicContact CG-CB 3.36Å; F689-Q724 HydrophobicContact CG-CG 3.94Å
690R88Confident89.1Confident9 Ų918.3 Ų18.33%0.0348%0.082CC..Hα-helixtrans-54.1-43.5173-76.1177.1177.4148.64111.5E256 E492 Q686 N693 Q694E256-R690 IonicContact OE1-CZ 3.05Å; E256-R690 IonicContact OE1-NH1 2.95Å; E256-R690 PolarHBondContact OE1-NH1 2.65Å; E256-R690 IonicContact OE2-CZ 3.37Å; E256-R690 IonicContact OE2-NE 3.45Å; E256-R690 IonicContact OE2-NH1 3.9Å; E256-R690 PolarHBondContact OE2-NH1 3Å; E256-R690 IonicContact OE2-NH2 3.94Å; E492-R690 IonicContact OE2-NH1 2.75Å; E492-R690 PolarHBondContact OE2-NH1 3.24Å; Q686-R690 WeakPolarHBondContact O-CG 3.36Å; Q686-R690 PolarHBondContact O-N 3Å; R690-N693 PolarHBondContact O-N 2.88Å; R690-Q694 WeakPolarHBondContact O-CG 3.19Å; R690-Q694 PolarHBondContact O-N 2.88Å; R690-Q694 VanDerWaalsContact O-N 3.08Å
691A90.1Very high88.7Confident0 Ų019.7 Ų19.70%09%0.087CC..Hα-helixtrans-73.2-30.8177.900000113.9C624 R625 P648 A688 F689 A695C624-A691 HydrophobicContact CB-CB 4.36Å; R625-A691 HydrophobicContact CG-CB 3.63Å; P648-A691 HydrophobicContact CB-CB 4.48Å; P648-A691 HydrophobicContact CG-CB 3.73Å; A688-A691 PolarHBondContact O-N 3.17Å; F689-A691 VanDerWaalsContact C-N 3.26Å; F689-A691 PolarHBondContact O-N 3.24Å; A691-A695 PolarHBondContact O-N 3.45Å
692V92.1Very high88.4Confident0 Ų018.4 Ų18.40%08%0.081CC..Hα-helixtrans-66.6-43.5168.9175.20000110.6I644 L647 P648 A688 F689 Q694 A695 I696 L711 F716I644-V692 HydrophobicContact CG1-CG1 4.29Å; I644-V692 HydrophobicContact CG2-CG1 4.27Å; I644-V692 HydrophobicContact CG2-CG2 4.14Å; L647-V692 HydrophobicContact CD2-CG2 4.24Å; P648-V692 HydrophobicContact CG-CG2 4.1Å; A688-V692 PolarHBondContact O-N 3.01Å; F689-V692 PolarHBondContact O-N 2.9Å; F689-V692 VanDerWaalsContact O-N 3.11Å; V692-Q694 VanDerWaalsContact C-N 3.29Å; V692-Q694 PolarHBondContact O-N 3.13Å; V692-A695 PolarHBondContact O-N 2.93Å; V692-I696 HydrophobicContact CG1-CG2 4.11Å; V692-I696 WeakPolarHBondContact O-CG1 3.28Å; V692-I696 PolarHBondContact O-N 3.28Å; V692-L711 HydrophobicContact CG1-CD2 4.39Å; V692-F716 HydrophobicContact CG1-CE1 4.28Å; V692-F716 HydrophobicContact CG1-CZ 4.34Å; V692-F716 HydrophobicContact CG2-CZ 4.26Å
693N89.4Confident88.2Confident1 Ų116.8 Ų16.81%0.0057%0.073CC..Hα-helixtrans-62.5-36-179-65.6-6.7000111.3T482 S484 F689 R690 G697 Q724 P726T482-N693 HydrophobicContact CG2-CB 4.36Å; S484-N693 PolarHBondContact O-ND2 2.82Å; F689-N693 WeakPolarHBondContact O-CB 3.45Å; F689-N693 PolarHBondContact O-N 2.99Å; F689-N693 PolarHBondContact O-OD1 3.29Å; R690-N693 PolarHBondContact O-N 2.88Å; N693-G697 PolarHBondContact O-N 3.5Å; N693-G697 VanDerWaalsContact O-N 3.07Å; N693-Q724 PolarHBondContact ND2-O 2.96Å; N693-Q724 VanDerWaalsContact ND2-O 3.11Å; N693-P726 HydrophobicContact CB-CG 4.22Å; N693-P726 WeakPolarHBondContact OD1-CD 3.3Å
694Q88.4Confident88Confident10 Ų1020.1 Ų20.15%0.0479%0.089CC..Hα-helixtrans-64.6-37.7170.6-71.1160.42.800114H253 T482 R690 V692 R698H253-Q694 PolarHBondContact CD2-NE2 3.28Å; T482-Q694 HydrophobicContact CG2-CG 4.26Å; R690-Q694 WeakPolarHBondContact O-CG 3.19Å; R690-Q694 PolarHBondContact O-N 2.88Å; R690-Q694 VanDerWaalsContact O-N 3.08Å; V692-Q694 VanDerWaalsContact C-N 3.29Å; V692-Q694 PolarHBondContact O-N 3.13Å; Q694-R698 PolarHBondContact O-NE 2.93Å
695A90.1Very high87.8Confident0 Ų019 Ų190%09%0.085CC..Hα-helixtrans-76.9-44.8-179.900000112.5F560 I644 A691 V692 G697 R698F560-A695 HydrophobicContact CB-CB 4.38Å; F560-A695 HydrophobicContact CD1-CB 4.32Å; F560-A695 HydrophobicContact CD2-CB 3.81Å; F560-A695 HydrophobicContact CE2-CB 4.12Å; F560-A695 HydrophobicContact CG-CB 3.92Å; I644-A695 HydrophobicContact CD1-CB 3.64Å; A691-A695 PolarHBondContact O-N 3.45Å; V692-A695 PolarHBondContact O-N 2.93Å; A695-G697 VanDerWaalsContact C-N 3.27Å; A695-G697 PolarHBondContact O-N 3.46Å; A695-R698 VanDerWaalsContact O-CB 3.31Å; A695-R698 WeakPolarHBondContact O-CB 3.25Å; A695-R698 WeakPolarHBondContact O-CG 3.5Å; A695-R698 PolarHBondContact O-N 2.82Å; A695-R698 VanDerWaalsContact O-N 3.11Å
696I89.3Confident88Confident1 Ų116.3 Ų16.31%0.0057%0.073CC..Hα-helixtrans-68.9-28.4176.770.5-173.3000112V642 I644 V692 R698 V699 I709 L711 L725 P726 V729V642-I696 HydrophobicContact CG1-CG2 4.32Å; I644-I696 HydrophobicContact CD1-CG2 4Å; I644-I696 HydrophobicContact CG1-CG2 3.81Å; V692-I696 HydrophobicContact CG1-CG2 4.11Å; V692-I696 WeakPolarHBondContact O-CG1 3.28Å; V692-I696 PolarHBondContact O-N 3.28Å; I696-R698 PolarHBondContact O-N 3.46Å; I696-V699 PolarHBondContact O-N 3.06Å; I696-I709 HydrophobicContact CB-CD1 3.96Å; I696-I709 HydrophobicContact CB-CG1 4.23Å; I696-I709 HydrophobicContact CB-CG2 4.15Å; I696-I709 HydrophobicContact CG2-CG2 3.62Å; I696-L711 HydrophobicContact CG2-CD2 4.36Å; I696-L725 HydrophobicContact CD1-CD2 4.22Å; I696-P726 HydrophobicContact CD1-CG 4.41Å; I696-V729 HydrophobicContact CD1-CG1 4.39Å; I696-V729 HydrophobicContact CD1-CG2 4.13Å
697G84.8Confident88.2Confident4 Ų415.9 Ų15.94%0.0417%0.071CC..THydrogen-bonded Turntrans-665.1169.800000114.5T44 N693 A695 R701T44-G697 PolarHBondContact OG1-O 2.65Å; N693-G697 PolarHBondContact O-N 3.5Å; N693-G697 VanDerWaalsContact O-N 3.07Å; A695-G697 VanDerWaalsContact C-N 3.27Å; A695-G697 PolarHBondContact O-N 3.46Å; G697-R701 PolarHBondContact O-NH1 2.81Å
698R84.5Confident88.5Confident33 Ų3314.9 Ų14.913%0.1257%0.066CC..THydrogen-bonded Turntrans-89-10.6172.3-56.6-63.2166.3-160.4-19.7114.2L558 F560 S629 L632 F634 Q694 A695 I696L558-R698 HydrophobicContact CD1-CB 4.09Å; F560-R698 HydrophobicContact CZ-CG 4.46Å; S629-R698 VanDerWaalsContact O-CZ 3.24Å; S629-R698 PolarHBondContact O-NE 3.41Å; S629-R698 PolarHBondContact O-NH2 2.67Å; L632-R698 PolarHBondContact O-NH1 2.72Å; F634-R698 HydrophobicContact CD2-CB 4.34Å; Q694-R698 PolarHBondContact O-NE 2.93Å; A695-R698 VanDerWaalsContact O-CB 3.31Å; A695-R698 WeakPolarHBondContact O-CB 3.25Å; A695-R698 WeakPolarHBondContact O-CG 3.5Å; A695-R698 PolarHBondContact O-N 2.82Å; A695-R698 VanDerWaalsContact O-N 3.11Å; I696-R698 PolarHBondContact O-N 3.46Å
699V86.1Confident88.7Confident0 Ų014.9 Ų14.90%07%0.066CC..SBendtrans-82.1-25.1-172.8-178.40000114.8V642 I696 I709V642-V699 HydrophobicContact CB-CG2 3.53Å; V642-V699 HydrophobicContact CG2-CG2 3.31Å; I696-V699 PolarHBondContact O-N 3.06Å; V699-I709 HydrophobicContact CB-CG1 4.46Å; V699-I709 HydrophobicContact CG2-CG1 3.84Å
700I86.1Confident89Confident0 Ų014.5 Ų14.50%07%0.065CC..  trans-132.2125.1-170.8-56.9-67.3000110.6T44 H505 I507 D705T44-I700 PolarHBondContact OG1-O 2.7Å; H505-I700 WeakPolarHBondContact CE1-CG2 3.42Å; I507-I700 HydrophobicContact CD1-CG1 4.28Å; I507-I700 HydrophobicContact CD1-CG2 4.39Å; I507-I700 HydrophobicContact CG2-CG2 3.77Å; I700-D705 WeakPolarHBondContact CA-OD2 3.25Å; I700-D705 HydrophobicContact CG2-CB 4.29Å
701R83.5Confident89.4Confident29 Ų2914.1 Ų14.111%0.1096%0.063CC..  trans-121.8-21.2-173.8-63.5-51.7-168.2-146.22.9117G45 L632 D633 A635 G697 D705G45-R701 WeakPolarHBondContact CA-O 3.44Å; L632-R701 PolarHBondContact O-NH2 3.25Å; D633-R701 VanDerWaalsContact OD1-CD 3.28Å; D633-R701 WeakPolarHBondContact OD1-CD 3.26Å; D633-R701 WeakPolarHBondContact OD1-CG 3.26Å; D633-R701 IonicContact OD1-CZ 2.74Å; D633-R701 IonicContact OD1-NE 3.82Å; D633-R701 PolarHBondContact OD1-NE 2.86Å; D633-R701 IonicContact OD1-NH2 2.71Å; D633-R701 IonicContact OD2-NE 2.65Å; A635-R701 HydrophobicContact CB-CB 4.14Å; A635-R701 HydrophobicContact CB-CG 3.87Å; G697-R701 PolarHBondContact O-NH1 2.81Å; R701-D705 WeakPolarHBondContact CB-OD2 3.19Å; R701-D705 PolarHBondContact N-OD2 3.06Å
702H83.9Confident89.7Confident66 Ų6614.2 Ų14.231%0.3066%0.064SC..SBendtrans-152.7173.1176.544.272.5000111.1D636 E704 D705D636-H702 IonicContact OD1-CE1 3.21Å; D636-H702 IonicContact OD1-NE2 2.7Å; D636-H702 IonicContact OD2-CE1 3.15Å; D636-H702 IonicContact OD2-NE2 2.77Å; D636-H702 PolarHBondContact OD2-NE2 2.95Å; H702-E704 PolarHBondContact O-N 3.03Å; H702-D705 PolarHBondContact ND1-N 3.06Å; H702-D705 WeakPolarHBondContact O-CB 3.46Å; H702-D705 PolarHBondContact O-N 3.47Å; H702-D705 VanDerWaalsContact O-N 3.09Å
703K84Confident89.8Confident59 Ų5914.2 Ų14.226%0.2576%0.064SC..THydrogen-bonded Turntrans-49.6-42.5179.5177.4170.2177.7-860112.7Y18 V506 Q511Y18-K703 HydrophobicContact CE1-CD 3.94Å; V506-K703 HydrophobicContact CG1-CB 3.79Å; V506-K703 HydrophobicContact CG1-CD 3.9Å; V506-K703 HydrophobicContact CG1-CG 3.8Å; Q511-K703 PolarHBondContact NE2-O 3.29Å; Q511-K703 PolarHBondContact OE1-O 3.32Å
704E85.5Confident90Very high88 Ų8816.9 Ų16.941%0.4118%0.076SC..THydrogen-bonded Turntrans-91.16.1-174.6-52.2-52.7149.100114.6H702 R757H702-E704 PolarHBondContact O-N 3.03Å; E704-R757 IonicContact OE2-CZ 2.8Å; E704-R757 IonicContact OE2-NH1 3.85Å; E704-R757 PolarHBondContact OE2-NH1 3.41Å
705D88.9Confident90.2Very high1 Ų119.5 Ų19.51%0.0059%0.086CC..  trans-80.1156.1-176.5-156.30.8000112.1Q511 R640 I700 R701 H702Q511-D705 PolarHBondContact NE2-O 2.93Å; R640-D705 IonicContact CZ-OD1 3.84Å; R640-D705 IonicContact NH1-OD1 3.74Å; R640-D705 PolarHBondContact NH1-OD1 3.47Å; I700-D705 WeakPolarHBondContact CA-OD2 3.25Å; I700-D705 HydrophobicContact CG2-CB 4.29Å; R701-D705 WeakPolarHBondContact CB-OD2 3.19Å; R701-D705 PolarHBondContact N-OD2 3.06Å; H702-D705 PolarHBondContact ND1-N 3.06Å; H702-D705 WeakPolarHBondContact O-CB 3.46Å; H702-D705 PolarHBondContact O-N 3.47Å; H702-D705 VanDerWaalsContact O-N 3.09Å
706Y92.4Very high90.4Very high4 Ų419.5 Ų19.52%0.0169%0.086CC..  trans-151.7149.1-179.868.2-93000113.8Q511 R640 F750 A753 Q754 R757Q511-Y706 WeakPolarHBondContact O-CA 3.36Å; Q511-Y706 VanDerWaalsContact O-CB 3.3Å; Q511-Y706 WeakPolarHBondContact O-CB 3.44Å; R640-Y706 WeakPolarHBondContact CD-O 3.41Å; R640-Y706 PolarHBondContact NH1-O 3.21Å; Y706-F750 HydrophobicContact CD2-CD1 4.38Å; Y706-F750 HydrophobicContact CE2-CD1 4.1Å; Y706-F750 HydrophobicContact CE2-CE1 4.48Å; Y706-A753 HydrophobicContact CD1-CB 4.41Å; Y706-A753 HydrophobicContact CD2-CB 3.54Å; Y706-A753 HydrophobicContact CE2-CB 3.8Å; Y706-A753 HydrophobicContact CG-CB 3.89Å; Y706-Q754 WeakPolarHBondContact OH-CG 3.34Å; Y706-R757 HydrophobicContact CD1-CB 4.47Å; Y706-R757 HydrophobicContact CE1-CB 4.47Å
707G93.8Very high90.5Very high0 Ų023.2 Ų23.20%010%0.102CC..EExtended strand (participates in β ladder)trans179.8-179.917700000115.6Q511 F513 R640 F749Q511-G707 PolarHBondContact O-N 3.2Å; F513-G707 PolarHBondContact N-O 2.96Å; R640-G707 CarbonylContact O-C 3.56Å; R640-G707 WeakPolarHBondContact O-CA 3.4Å; G707-F749 VanDerWaalsContact O-CZ 3.27Å; G707-F749 WeakPolarHBondContact O-CZ 3.49Å
708A95.6Very high90.8Very high0 Ų025.5 Ų25.50%012%0.117CC..EExtended strand (participates in β ladder)trans-120.9141.3-173.200000113.6F513 R640 G641 V642 F710 F749 F750F513-A708 HydrophobicContact CB-CB 4.04Å; F513-A708 HydrophobicContact CD1-CB 4.28Å; F513-A708 CarbonylContact O-C 3.59Å; F513-A708 VanDerWaalsContact O-CA 3.32Å; F513-A708 WeakPolarHBondContact O-CA 3.47Å; R640-A708 PolarHBondContact O-N 3Å; G641-A708 CarbonylContact C-O 3.52Å; G641-A708 VanDerWaalsContact CA-O 3.3Å; G641-A708 WeakPolarHBondContact CA-O 3.46Å; V642-A708 PolarHBondContact N-O 2.97Å; A708-F710 HydrophobicContact CB-CE1 4.31Å; A708-F710 HydrophobicContact CB-CE2 3.68Å; A708-F710 HydrophobicContact CB-CZ 3.46Å; A708-F710 VanDerWaalsContact CB-CZ 3.46Å; A708-F749 HydrophobicContact CB-CE1 4.17Å; A708-F750 HydrophobicContact CB-CE2 4.02Å; A708-F750 HydrophobicContact CB-CZ 3.69Å
709I96.1Very high91Very high0 Ų027.8 Ų27.80%014%0.138CC..EExtended strand (participates in β ladder)trans-117.6124.5178.5-64.8158.1000109.6I512 F513 V514 S515 V642 I696 V699 L711I512-I709 HydrophobicContact CD1-CD1 3.92Å; F513-I709 PolarHBondContact O-N 2.92Å; V514-I709 WeakPolarHBondContact CA-O 3.15Å; V514-I709 HydrophobicContact CG1-CB 4.15Å; V514-I709 HydrophobicContact CG1-CG2 4.11Å; V514-I709 HydrophobicContact CG2-CB 4.31Å; V514-I709 HydrophobicContact CG2-CD1 4.24Å; S515-I709 PolarHBondContact N-O 2.76Å; V642-I709 WeakPolarHBondContact O-CA 3.44Å; I696-I709 HydrophobicContact CB-CD1 3.96Å; I696-I709 HydrophobicContact CB-CG1 4.23Å; I696-I709 HydrophobicContact CB-CG2 4.15Å; I696-I709 HydrophobicContact CG2-CG2 3.62Å; V699-I709 HydrophobicContact CB-CG1 4.46Å; V699-I709 HydrophobicContact CG2-CG1 3.84Å; I709-L711 HydrophobicContact CG2-CD2 3.97Å; I709-L711 HydrophobicContact CG2-CG 4.22Å
710F96.9Very high91Very high0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-115.6116.8-179.1-54-73.1000110.3F513 S515 I517 L549 V553 V642 I643 I644 A708 V746F513-F710 HydrophobicContact CD1-CE1 4.27Å; F513-F710 HydrophobicContact CE1-CE1 4.16Å; S515-F710 WeakPolarHBondContact OG-CD1 3.11Å; I517-F710 HydrophobicContact CD1-CB 4.3Å; I517-F710 HydrophobicContact CD1-CD1 4.08Å; L549-F710 HydrophobicContact CD1-CB 4.1Å; L549-F710 HydrophobicContact CD1-CD1 4.09Å; L549-F710 HydrophobicContact CD1-CD2 4.16Å; L549-F710 HydrophobicContact CD1-CG 3.82Å; L549-F710 HydrophobicContact CD2-CD1 3.94Å; L549-F710 HydrophobicContact CD2-CE1 3.76Å; L549-F710 HydrophobicContact CD2-CE2 4.42Å; L549-F710 HydrophobicContact CD2-CG 4.38Å; L549-F710 HydrophobicContact CD2-CZ 4.01Å; V553-F710 HydrophobicContact CG2-CE2 3.82Å; V553-F710 HydrophobicContact CG2-CZ 4.23Å; V642-F710 WeakPolarHBondContact O-CD2 3.45Å; V642-F710 PolarHBondContact O-N 2.85Å; I643-F710 HydrophobicContact CB-CB 4.49Å; I643-F710 HydrophobicContact CG1-CB 4.01Å; I643-F710 HydrophobicContact CG1-CD2 3.77Å; I643-F710 HydrophobicContact CG1-CG 4.24Å; I644-F710 PolarHBondContact N-O 3.47Å; A708-F710 HydrophobicContact CB-CE1 4.31Å; A708-F710 HydrophobicContact CB-CE2 3.68Å; A708-F710 HydrophobicContact CB-CZ 3.46Å; A708-F710 VanDerWaalsContact CB-CZ 3.46Å; F710-V746 HydrophobicContact CE1-CG1 4.49Å; F710-V746 HydrophobicContact CE1-CG2 3.52Å; F710-V746 HydrophobicContact CZ-CG1 4Å; F710-V746 HydrophobicContact CZ-CG2 3.85Å
711L96.8Very high91.1Very high1 Ų131.9 Ų31.91%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-103.888.8-178.5-59.5179.9000109.4V514 S515 V516 I517 I644 V692 I696 I709 D713 F716 L725V514-L711 HydrophobicContact CG1-CD1 4.46Å; S515-L711 PolarHBondContact O-N 2.71Å; V516-L711 HydrophobicContact CG2-CB 4.38Å; V516-L711 HydrophobicContact CG2-CD1 4.36Å; I517-L711 PolarHBondContact N-O 2.91Å; I644-L711 HydrophobicContact CB-CD2 4Å; I644-L711 HydrophobicContact CG1-CD2 3.8Å; V692-L711 HydrophobicContact CG1-CD2 4.39Å; I696-L711 HydrophobicContact CG2-CD2 4.36Å; I709-L711 HydrophobicContact CG2-CD2 3.97Å; I709-L711 HydrophobicContact CG2-CG 4.22Å; L711-D713 VanDerWaalsContact C-N 3.33Å; L711-D713 PolarHBondContact O-N 3.45Å; L711-D713 VanDerWaalsContact O-N 3.14Å; L711-F716 HydrophobicContact CB-CB 4.15Å; L711-F716 HydrophobicContact CB-CD1 4.31Å; L711-F716 HydrophobicContact CB-CD2 3.7Å; L711-F716 HydrophobicContact CB-CE2 4.08Å; L711-F716 HydrophobicContact CB-CG 3.83Å; L711-F716 HydrophobicContact CD1-CB 4.48Å; L711-F716 HydrophobicContact CD1-CD1 4Å; L711-F716 HydrophobicContact CD1-CE1 4.39Å; L711-F716 HydrophobicContact CD1-CG 4.24Å; L711-F716 HydrophobicContact CD2-CE1 4.22Å; L711-F716 HydrophobicContact CD2-CE2 4.46Å; L711-F716 HydrophobicContact CD2-CZ 4.17Å; L711-L725 HydrophobicContact CD1-CD1 4.05Å; L711-L725 HydrophobicContact CD1-CD2 4.43Å
712C95.7Very high91.3Very high1 Ų134.7 Ų34.71%0.00717%0.171CC..  trans-89.654.7-168.2-62.60000113.2I517 L526 L542 I644I517-C712 CarbonylContact O-C 3.51Å; I517-C712 WeakPolarHBondContact O-CA 3.33Å; L526-C712 HydrophobicContact CD1-CB 4Å; L542-C712 HydrophobicContact CD1-CB 4.27Å; I644-C712 WeakPolarHBondContact O-CB 3.37Å; I644-C712 PolarHBondContact O-N 3Å
713D94.6Very high91.5Very high0 Ų034 Ų340%018%0.177CC..SBendtrans-150.8132.1171.3-170.5-63.6000110.6I517 L526 S527 S528 L711 R715 F716I517-D713 PolarHBondContact O-N 2.74Å; L526-D713 WeakPolarHBondContact O-CA 3.4Å; S527-D713 WeakPolarHBondContact CA-OD2 3.29Å; S528-D713 PolarHBondContact N-OD2 3.23Å; L711-D713 VanDerWaalsContact C-N 3.33Å; L711-D713 PolarHBondContact O-N 3.45Å; L711-D713 VanDerWaalsContact O-N 3.14Å; D713-R715 PolarHBondContact O-N 2.68Å; D713-R715 VanDerWaalsContact OD1-CB 3.25Å; D713-R715 WeakPolarHBondContact OD1-CB 3.18Å; D713-R715 VanDerWaalsContact OD1-CG 3.28Å; D713-R715 WeakPolarHBondContact OD1-CG 3.4Å; D713-R715 IonicContact OD1-CZ 2.7Å; D713-R715 PolarHBondContact OD1-N 2.91Å; D713-R715 IonicContact OD1-NE 3.63Å; D713-R715 PolarHBondContact OD1-NE 2.91Å; D713-R715 IonicContact OD1-NH2 2.84Å; D713-R715 IonicContact OD2-CZ 3.14Å; D713-R715 IonicContact OD2-NE 3.69Å; D713-R715 PolarHBondContact OD2-NE 2.9Å; D713-R715 IonicContact OD2-NH2 3.37Å; D713-R715 PolarHBondContact OD2-NH2 3.21Å; D713-F716 HydrophobicContact CB-CD2 3.73Å; D713-F716 HydrophobicContact CB-CE2 3.89Å; D713-F716 WeakPolarHBondContact O-CD2 3.25Å; D713-F716 PolarHBondContact O-N 2.86Å
714Q93.4Very high91.6Very high58 Ų5832.7 Ų32.727%0.27117%0.171SC..G310 helixtrans-51.5-28179.463.7177.9-3.600114.5D518 H525 L526 F716 K717D518-Q714 HydrophobicContact CB-CB 3.96Å; H525-Q714 PolarHBondContact CD2-OE1 3.43Å; L526-Q714 PolarHBondContact O-N 2.86Å; Q714-F716 VanDerWaalsContact C-N 3.26Å; Q714-F716 PolarHBondContact O-N 3.34Å; Q714-K717 VanDerWaalsContact O-CB 3.22Å; Q714-K717 WeakPolarHBondContact O-CB 3.46Å; Q714-K717 PolarHBondContact O-N 3.01Å; Q714-K717 VanDerWaalsContact O-N 3.1Å
715R93.1Very high91.8Very high64 Ų6428.5 Ų28.524%0.24215%0.152CC..G310 helixtrans-65.7-26.5-179.4-66.6172.8-70.2174.61.8112.7S528 L647 D713 K717 S718 A721S528-R715 PolarHBondContact OG-NH2 3.48Å; L647-R715 HydrophobicContact CD1-CB 3.86Å; D713-R715 PolarHBondContact O-N 2.68Å; D713-R715 VanDerWaalsContact OD1-CB 3.25Å; D713-R715 WeakPolarHBondContact OD1-CB 3.18Å; D713-R715 VanDerWaalsContact OD1-CG 3.28Å; D713-R715 WeakPolarHBondContact OD1-CG 3.4Å; D713-R715 IonicContact OD1-CZ 2.7Å; D713-R715 PolarHBondContact OD1-N 2.91Å; D713-R715 IonicContact OD1-NE 3.63Å; D713-R715 PolarHBondContact OD1-NE 2.91Å; D713-R715 IonicContact OD1-NH2 2.84Å; D713-R715 IonicContact OD2-CZ 3.14Å; D713-R715 IonicContact OD2-NE 3.69Å; D713-R715 PolarHBondContact OD2-NE 2.9Å; D713-R715 IonicContact OD2-NH2 3.37Å; D713-R715 PolarHBondContact OD2-NH2 3.21Å; R715-K717 PolarHBondContact O-N 3.17Å; R715-S718 PolarHBondContact O-N 3.49Å; R715-S718 PolarHBondContact O-OG 3.37Å; R715-A721 VanDerWaalsContact O-CB 3.28Å; R715-A721 WeakPolarHBondContact O-CB 3.39Å
716F93.3Very high91.6Very high1 Ų128.5 Ų28.50%0.00415%0.152CC..G310 helixtrans-66.9-13.8174.3-68.7-72.6000113.5V516 I644 L647 F689 V692 L711 D713 Q714 S718 R722V516-F716 HydrophobicContact CG1-CB 3.84Å; V516-F716 HydrophobicContact CG2-CB 3.91Å; I644-F716 HydrophobicContact CG2-CE2 4.33Å; I644-F716 HydrophobicContact CG2-CZ 4.03Å; L647-F716 HydrophobicContact CD2-CD1 4.38Å; L647-F716 HydrophobicContact CD2-CE1 3.55Å; L647-F716 HydrophobicContact CD2-CE2 4.28Å; L647-F716 HydrophobicContact CD2-CZ 3.49Å; L647-F716 VanDerWaalsContact CD2-CZ 3.49Å; L647-F716 HydrophobicContact CG-CE1 4.37Å; L647-F716 HydrophobicContact CG-CE2 4.32Å; L647-F716 HydrophobicContact CG-CZ 4Å; F689-F716 HydrophobicContact CD1-CE1 4.43Å; F689-F716 AromaticContact CE1-CD1 3.95Å; F689-F716 HydrophobicContact CE1-CD1 3.95Å; F689-F716 AromaticContact CE1-CE1 3.72Å; F689-F716 HydrophobicContact CE1-CE1 3.72Å; F689-F716 HydrophobicContact CZ-CE1 4.47Å; V692-F716 HydrophobicContact CG1-CE1 4.28Å; V692-F716 HydrophobicContact CG1-CZ 4.34Å; V692-F716 HydrophobicContact CG2-CZ 4.26Å; L711-F716 HydrophobicContact CB-CB 4.15Å; L711-F716 HydrophobicContact CB-CD1 4.31Å; L711-F716 HydrophobicContact CB-CD2 3.7Å; L711-F716 HydrophobicContact CB-CE2 4.08Å; L711-F716 HydrophobicContact CB-CG 3.83Å; L711-F716 HydrophobicContact CD1-CB 4.48Å; L711-F716 HydrophobicContact CD1-CD1 4Å; L711-F716 HydrophobicContact CD1-CE1 4.39Å; L711-F716 HydrophobicContact CD1-CG 4.24Å; L711-F716 HydrophobicContact CD2-CE1 4.22Å; L711-F716 HydrophobicContact CD2-CE2 4.46Å; L711-F716 HydrophobicContact CD2-CZ 4.17Å; D713-F716 HydrophobicContact CB-CD2 3.73Å; D713-F716 HydrophobicContact CB-CE2 3.89Å; D713-F716 WeakPolarHBondContact O-CD2 3.25Å; D713-F716 PolarHBondContact O-N 2.86Å; Q714-F716 VanDerWaalsContact C-N 3.26Å; Q714-F716 PolarHBondContact O-N 3.34Å; F716-S718 VanDerWaalsContact C-N 3.31Å; F716-S718 PolarHBondContact O-N 3.08Å; F716-R722 WeakPolarHBondContact O-CG 3.22Å
717K92Very high91.2Very high79 Ų7930.1 Ų30.134%0.34316%0.164SC..G310 helixtrans-69.2-29.4176-160.4169.6-1661680112.4V516 D518 Q714 R715 R722 L735V516-K717 HydrophobicContact CG1-CB 4.45Å; D518-K717 HydrophobicContact CB-CD 4.38Å; D518-K717 WeakPolarHBondContact OD2-CD 3.39Å; D518-K717 WeakPolarHBondContact OD2-CE 3.27Å; D518-K717 IonicContact OD2-NZ 2.56Å; D518-K717 PolarHBondContact OD2-NZ 2.94Å; Q714-K717 VanDerWaalsContact O-CB 3.22Å; Q714-K717 WeakPolarHBondContact O-CB 3.46Å; Q714-K717 PolarHBondContact O-N 3.01Å; Q714-K717 VanDerWaalsContact O-N 3.1Å; R715-K717 PolarHBondContact O-N 3.17Å; K717-R722 PolarHBondContact O-NE 2.6Å; K717-R722 PolarHBondContact O-NH2 2.95Å; K717-L735 HydrophobicContact CG-CD1 4.48Å; K717-L735 HydrophobicContact CG-CD2 4.48Å
718S91Very high90.8Very high51 Ų5131 Ų3136%0.35717%0.168SC..SBendtrans-59.9151.5-178.765.60000113.2R715 F716 A721 R722R715-S718 PolarHBondContact O-N 3.49Å; R715-S718 PolarHBondContact O-OG 3.37Å; F716-S718 VanDerWaalsContact C-N 3.31Å; F716-S718 PolarHBondContact O-N 3.08Å; S718-A721 WeakPolarHBondContact OG-CB 3.29Å; S718-A721 PolarHBondContact OG-N 3.21Å; S718-R722 PolarHBondContact O-N 2.74Å; S718-R722 PolarHBondContact O-NE 3Å
719S88.6Confident90.5Very high81 Ų8131 Ų3157%0.56617%0.168SC*.Hα-helixtrans-56.7-50.5171.940.30000111.3A721 R722 A723S719-A721 PolarHBondContact O-N 3.1Å; S719-R722 PolarHBondContact O-N 3.32Å; S719-A723 PolarHBondContact O-N 3.02Å
720D86.6Confident90.1Very high81 Ų8134.7 Ų34.743%0.43318%0.184SC..Hα-helixtrans-53.8-48.4-179.5-68.433.3000112.4K685 A723 Q724K685-D720 IonicContact NZ-OD2 3.62Å; K685-D720 PolarHBondContact NZ-OD2 3.07Å; D720-A723 WeakPolarHBondContact O-CB 3.27Å; D720-A723 PolarHBondContact O-N 2.89Å; D720-Q724 WeakPolarHBondContact O-CG 3.44Å; D720-Q724 PolarHBondContact O-N 3.13Å
721A87.2Confident89.8Confident5 Ų539.5 Ų39.54%0.04122%0.215CC..Hα-helixtrans-63.9-44.7-179.100000111.6F689 R715 S718 S719 A723 Q724F689-A721 HydrophobicContact CE1-CB 4.03Å; F689-A721 WeakPolarHBondContact CE1-O 3.49Å; F689-A721 HydrophobicContact CZ-CB 3.53Å; R715-A721 VanDerWaalsContact O-CB 3.28Å; R715-A721 WeakPolarHBondContact O-CB 3.39Å; S718-A721 WeakPolarHBondContact OG-CB 3.29Å; S718-A721 PolarHBondContact OG-N 3.21Å; S719-A721 PolarHBondContact O-N 3.1Å; A721-A723 PolarHBondContact O-N 3.47Å; A721-Q724 PolarHBondContact O-N 3.06Å; A721-Q724 VanDerWaalsContact O-N 3.13Å
722R88.3Confident89.5Confident89 Ų8941.5 Ų41.534%0.33622%0.222SC..Hα-helixtrans-65.6-29176.9-68.1-177.1-74.1137.6-5112F716 K717 S718 S719 Q724 L725 K730 V733F716-R722 WeakPolarHBondContact O-CG 3.22Å; K717-R722 PolarHBondContact O-NE 2.6Å; K717-R722 PolarHBondContact O-NH2 2.95Å; S718-R722 PolarHBondContact O-N 2.74Å; S718-R722 PolarHBondContact O-NE 3Å; S719-R722 PolarHBondContact O-N 3.32Å; R722-Q724 VanDerWaalsContact C-N 3.3Å; R722-Q724 PolarHBondContact O-N 3.29Å; R722-L725 PolarHBondContact O-N 3.25Å; R722-K730 WeakPolarHBondContact O-CE 3.4Å; R722-K730 WeakPolarHBondContact O-CG 3.45Å; R722-V733 HydrophobicContact CG-CG1 4.32Å
723A86.9Confident89.3Confident50 Ų5042.6 Ų42.641%0.41323%0.229SC..Hα-helixtrans-67.8-23.7173.600000114.1S719 D720 A721 K730S719-A723 PolarHBondContact O-N 3.02Å; D720-A723 WeakPolarHBondContact O-CB 3.27Å; D720-A723 PolarHBondContact O-N 2.89Å; A721-A723 PolarHBondContact O-N 3.47Å; A723-K730 WeakPolarHBondContact O-CE 3.4Å; A723-K730 PolarHBondContact O-NZ 3.23Å
724Q87.8Confident89.2Confident32 Ų3247.2 Ų47.215%0.1525%0.247CC..Hα-helixtrans-85.8-12.5177.8-55-53.2-63.900114.5F689 N693 D720 A721 R722F689-Q724 HydrophobicContact CB-CB 3.66Å; F689-Q724 HydrophobicContact CB-CG 4.42Å; F689-Q724 HydrophobicContact CD1-CB 3.69Å; F689-Q724 HydrophobicContact CD2-CB 3.64Å; F689-Q724 HydrophobicContact CD2-CG 3.64Å; F689-Q724 HydrophobicContact CE1-CB 4.26Å; F689-Q724 HydrophobicContact CE2-CB 4.23Å; F689-Q724 HydrophobicContact CE2-CG 4.02Å; F689-Q724 HydrophobicContact CG-CB 3.36Å; F689-Q724 HydrophobicContact CG-CG 3.94Å; N693-Q724 PolarHBondContact ND2-O 2.96Å; N693-Q724 VanDerWaalsContact ND2-O 3.11Å; D720-Q724 WeakPolarHBondContact O-CG 3.44Å; D720-Q724 PolarHBondContact O-N 3.13Å; A721-Q724 PolarHBondContact O-N 3.06Å; A721-Q724 VanDerWaalsContact O-N 3.13Å; R722-Q724 VanDerWaalsContact C-N 3.3Å; R722-Q724 PolarHBondContact O-N 3.29Å
725L88.1Confident89.2Confident0 Ų048 Ų480%025%0.252CS..SBendtrans-68.6160.1174.2-63.3174.5000111.1S484 I696 L711 R722 K730 V733S484-L725 PolarHBondContact OG-O 3.48Å; I696-L725 HydrophobicContact CD1-CD2 4.22Å; L711-L725 HydrophobicContact CD1-CD1 4.05Å; L711-L725 HydrophobicContact CD1-CD2 4.43Å; R722-L725 PolarHBondContact O-N 3.25Å; L725-K730 HydrophobicContact CB-CG 4.29Å; L725-K730 WeakPolarHBondContact O-CE 3.38Å; L725-K730 PolarHBondContact O-NZ 2.89Å; L725-V733 HydrophobicContact CD1-CG2 3.87Å
726P86.1Confident88.9Confident1 Ų146.3 Ų46.31%0.00625%0.246CC..  trans-62.7151.1178-21.634.4000112.7N693 I696 W728 V729 K730N693-P726 HydrophobicContact CB-CG 4.22Å; N693-P726 WeakPolarHBondContact OD1-CD 3.3Å; I696-P726 HydrophobicContact CD1-CG 4.41Å; P726-W728 VanDerWaalsContact CB-CD1 3.46Å; P726-W728 HydrophobicContact CB-CG 4.32Å; P726-W728 PolarHBondContact O-N 2.94Å; P726-V729 HydrophobicContact CB-CG2 4.04Å; P726-V729 HydrophobicContact CG-CG2 3.97Å; P726-V729 PolarHBondContact O-N 3.11Å; P726-K730 PolarHBondContact O-N 3.1Å; P726-K730 VanDerWaalsContact O-N 3.17Å
727S84.5Confident88.5Confident39 Ų3952.7 Ų52.727%0.27328%0.28SS..THydrogen-bonded Turntrans-49.6-40.717756.40000113.1P731S727-P731 VanDerWaalsContact O-CD 3.29Å; S727-P731 WeakPolarHBondContact O-CD 3.25Å
728W85Confident88.3Confident19 Ų1956.1 Ų56.17%0.07230%0.295CS..THydrogen-bonded Turntrans-76.4-18.8-179.968.9-88.4000115P43 H505 I507 I512 P726 Y732P43-W728 HydrophobicContact CG-CG 4.02Å; H505-W728 HydrophobicContact CB-CB 3.75Å; H505-W728 HydrophobicContact CB-CD2 4.33Å; H505-W728 HydrophobicContact CB-CE3 4.34Å; H505-W728 HydrophobicContact CB-CG 4.11Å; H505-W728 AromaticContact CD2-CD2 3.55Å; H505-W728 AromaticContact CD2-CE2 3.93Å; H505-W728 AromaticContact CD2-CE3 3.47Å; H505-W728 VanDerWaalsContact CD2-CE3 3.47Å; H505-W728 AromaticContact CD2-CZ3 3.76Å; I507-W728 HydrophobicContact CD1-CE3 4.23Å; I507-W728 HydrophobicContact CD1-CZ3 4.12Å; I512-W728 HydrophobicContact CD1-CE3 4.1Å; I512-W728 HydrophobicContact CD1-CH2 4.39Å; I512-W728 HydrophobicContact CD1-CZ3 3.5Å; P726-W728 VanDerWaalsContact CB-CD1 3.46Å; P726-W728 HydrophobicContact CB-CG 4.32Å; P726-W728 PolarHBondContact O-N 2.94Å; W728-Y732 WeakPolarHBondContact O-CD2 3.37Å; W728-Y732 VanDerWaalsContact O-CE2 3.25Å; W728-Y732 WeakPolarHBondContact O-CE2 3.39Å
729V88.6Confident88.3Confident0 Ų054.8 Ų54.80%028%0.283CS..THydrogen-bonded Turntrans-89.8-39.4179.8-179.10000110.7V514 I696 P726 P731 Y732 V733V514-V729 HydrophobicContact CG1-CG1 4.22Å; V514-V729 HydrophobicContact CG2-CG1 4.05Å; I696-V729 HydrophobicContact CD1-CG1 4.39Å; I696-V729 HydrophobicContact CD1-CG2 4.13Å; P726-V729 HydrophobicContact CB-CG2 4.04Å; P726-V729 HydrophobicContact CG-CG2 3.97Å; P726-V729 PolarHBondContact O-N 3.11Å; V729-P731 VanDerWaalsContact C-CD 3.4Å; V729-Y732 PolarHBondContact O-N 3.25Å; V729-V733 HydrophobicContact CG1-CG2 4.39Å
730K88.4Confident88.4Confident77 Ų7753.1 Ų53.134%0.33528%0.279SS..G310 helixtrans-44.9-45.8-176.5-80.2159.7169.7146.70115.2R722 A723 L725 P726 Y732 V733R722-K730 WeakPolarHBondContact O-CE 3.4Å; R722-K730 WeakPolarHBondContact O-CG 3.45Å; A723-K730 WeakPolarHBondContact O-CE 3.4Å; A723-K730 PolarHBondContact O-NZ 3.23Å; L725-K730 HydrophobicContact CB-CG 4.29Å; L725-K730 WeakPolarHBondContact O-CE 3.38Å; L725-K730 PolarHBondContact O-NZ 2.89Å; P726-K730 PolarHBondContact O-N 3.1Å; P726-K730 VanDerWaalsContact O-N 3.17Å; K730-Y732 PolarHBondContact O-N 2.69Å; K730-V733 PolarHBondContact O-N 3.39Å
731P89.1Confident88.7Confident101 Ų10152.2 Ų52.266%0.65627%0.274SS*.G310 helixtrans-67.4-19.1-177.1-20.834.3000114.2S727 V729S727-P731 VanDerWaalsContact O-CD 3.29Å; S727-P731 WeakPolarHBondContact O-CD 3.25Å; V729-P731 VanDerWaalsContact C-CD 3.4Å
732Y90.6Very high89Confident42 Ų4252.1 Ų52.117%0.16527%0.273CS..G310 helixtrans-99.2-4.4-174.1-57.3-63.8000113.6R509 I512 V514 W728 V729 K730 R734R509-Y732 HydrophobicContact CB-CE1 3.95Å; R509-Y732 HydrophobicContact CG-CE1 3.91Å; I512-Y732 HydrophobicContact CD1-CD2 4.46Å; I512-Y732 HydrophobicContact CG2-CD1 4.03Å; I512-Y732 HydrophobicContact CG2-CD2 3.51Å; I512-Y732 HydrophobicContact CG2-CE1 4.11Å; I512-Y732 HydrophobicContact CG2-CE2 3.59Å; I512-Y732 HydrophobicContact CG2-CG 3.74Å; V514-Y732 VanDerWaalsContact O-O 3.06Å; W728-Y732 WeakPolarHBondContact O-CD2 3.37Å; W728-Y732 VanDerWaalsContact O-CE2 3.25Å; W728-Y732 WeakPolarHBondContact O-CE2 3.39Å; V729-Y732 PolarHBondContact O-N 3.25Å; K730-Y732 PolarHBondContact O-N 2.69Å; Y732-R734 PolarHBondContact O-N 2.85Å; Y732-R734 VanDerWaalsContact O-N 3.1Å
733V92.6Very high89.2Confident24 Ų2449.4 Ų49.415%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-71.5101.3-176.1-175.60000111.3V514 V516 R722 L725 V729 K730V514-V733 HydrophobicContact CG1-CG2 4.02Å; V516-V733 HydrophobicContact CG2-CG1 3.86Å; R722-V733 HydrophobicContact CG-CG1 4.32Å; L725-V733 HydrophobicContact CD1-CG2 3.87Å; V729-V733 HydrophobicContact CG1-CG2 4.39Å; K730-V733 PolarHBondContact O-N 3.39Å
734R93.1Very high89.6Confident98 Ų9854 Ų5437%0.3727%0.273SS..EExtended strand (participates in β ladder)trans-87.3144.9175.1-55.3178.6-164.5-167.54.8111V514 S515 V516 Y732 Y736V514-R734 WeakPolarHBondContact O-CB 3.46Å; V514-R734 PolarHBondContact O-N 3.11Å; S515-R734 WeakPolarHBondContact CA-O 3.42Å; V516-R734 PolarHBondContact N-O 3.43Å; Y732-R734 PolarHBondContact O-N 2.85Å; Y732-R734 VanDerWaalsContact O-N 3.1Å; R734-Y736 HydrophobicContact CB-CD2 4.18Å; R734-Y736 HydrophobicContact CB-CE2 3.51Å; R734-Y736 WeakPolarHBondContact CD-OH 3.39Å; R734-Y736 HydrophobicContact CG-CE2 4.47Å
735L91.6Very high89.9Confident74 Ų7453.6 Ų53.639%0.38727%0.272SS..EExtended strand (participates in β ladder)trans-113.5142.9170.9-55.4-178.1000108.3V516 K717V516-L735 HydrophobicContact CB-CD2 3.71Å; V516-L735 HydrophobicContact CG1-CD2 4.45Å; V516-L735 HydrophobicContact CG2-CD2 3.76Å; K717-L735 HydrophobicContact CG-CD1 4.48Å; K717-L735 HydrophobicContact CG-CD2 4.48Å
736Y88Confident90.2Very high29 Ų2953.6 Ų53.611%0.11427%0.272CS..  trans-140.4134.8-177.2-68.8-85.6000110.6F513 R734 N741 V742 D745F513-Y736 HydrophobicContact CZ-CE2 4.03Å; R734-Y736 HydrophobicContact CB-CD2 4.18Å; R734-Y736 HydrophobicContact CB-CE2 3.51Å; R734-Y736 WeakPolarHBondContact CD-OH 3.39Å; R734-Y736 HydrophobicContact CG-CE2 4.47Å; Y736-N741 HydrophobicContact CD1-CB 3.71Å; Y736-N741 HydrophobicContact CE1-CB 4.15Å; Y736-V742 HydrophobicContact CD2-CG2 3.72Å; Y736-V742 HydrophobicContact CE2-CG2 4.39Å; Y736-V742 HydrophobicContact CG-CG2 3.77Å; Y736-D745 VanDerWaalsContact CE1-OD2 3.23Å; Y736-D745 WeakPolarHBondContact CE1-OD2 3.4Å; Y736-D745 WeakPolarHBondContact OH-CB 3.25Å; Y736-D745 PolarHBondContact OH-OD2 3.36Å
737D83.6Confident90.6Very high135 Ų13555.3 Ų55.372%0.72228%0.284SS*.SBendtrans-85.4-12.6179.9-50.1-68.9000114
738K88.3Confident91Very high150 Ų15059.1 Ų59.165%0.65230%0.297SS*.SBendtrans-138.3126.7-178.7-65.6-174.2179.9-178.70110.8G740 N741K738-G740 VanDerWaalsContact C-N 3.26Å; K738-G740 PolarHBondContact O-N 2.95Å; K738-N741 WeakPolarHBondContact O-CB 3.47Å; K738-N741 PolarHBondContact O-N 2.75Å
739F91.2Very high91.4Very high23 Ų2359.1 Ų59.110%0.10130%0.298CS..Hα-helixtrans-54.3-37.3-178.6-177.1-96.2000113.8I517 P521 T545 N548 N741 V742 V743I517-F739 HydrophobicContact CD1-CE2 4.2Å; I517-F739 HydrophobicContact CG2-CD2 4Å; I517-F739 HydrophobicContact CG2-CE2 4.27Å; P521-F739 HydrophobicContact CB-CD1 3.92Å; P521-F739 HydrophobicContact CB-CE1 4.3Å; P521-F739 HydrophobicContact CB-CG 4.43Å; P521-F739 HydrophobicContact CG-CD1 3.68Å; P521-F739 HydrophobicContact CG-CE1 3.65Å; P521-F739 HydrophobicContact CG-CG 4.14Å; P521-F739 HydrophobicContact CG-CZ 4.09Å; T545-F739 HydrophobicContact CG2-CE2 3.97Å; N548-F739 HydrophobicContact CB-CE1 3.72Å; N548-F739 HydrophobicContact CB-CZ 3.88Å; F739-N741 PolarHBondContact O-N 2.71Å; F739-V742 VanDerWaalsContact O-CB 3.31Å; F739-V742 WeakPolarHBondContact O-CB 3.28Å; F739-V742 PolarHBondContact O-N 2.79Å; F739-V743 HydrophobicContact CD1-CG2 3.83Å; F739-V743 HydrophobicContact CE1-CG2 3.26Å; F739-V743 HydrophobicContact CZ-CG2 3.73Å; F739-V743 PolarHBondContact O-N 3.07Å
740G91.1Very high91.7Very high47 Ų4759.3 Ų59.349%0.48530%0.299SS..Hα-helixtrans-58.7-30.6178.300000114.4K738 V743 R744K738-G740 VanDerWaalsContact C-N 3.26Å; K738-G740 PolarHBondContact O-N 2.95Å; G740-V743 PolarHBondContact O-N 2.61Å; G740-R744 PolarHBondContact O-N 3.46Å; G740-R744 VanDerWaalsContact O-N 3.11Å
741N92.6Very high91.8Very high62 Ų6265 Ų6533%0.33232%0.318SS..Hα-helixtrans-68.4-36.9175.8-65.6-5.7000111.2Y736 K738 F739 R744 D745Y736-N741 HydrophobicContact CD1-CB 3.71Å; Y736-N741 HydrophobicContact CE1-CB 4.15Å; K738-N741 WeakPolarHBondContact O-CB 3.47Å; K738-N741 PolarHBondContact O-N 2.75Å; F739-N741 PolarHBondContact O-N 2.71Å; N741-R744 PolarHBondContact O-N 3.49Å; N741-D745 WeakPolarHBondContact O-CB 3.33Å; N741-D745 VanDerWaalsContact O-CG 3.3Å; N741-D745 PolarHBondContact O-N 3.42Å
742V93.2Very high91.8Very high2 Ų263.2 Ų63.21%0.01231%0.305CS..Hα-helixtrans-60.6-52175-169.70000109.7F513 I517 Y736 F739 R744 D745 V746F513-V742 HydrophobicContact CE1-CG1 4.48Å; I517-V742 HydrophobicContact CD1-CG1 4.13Å; I517-V742 HydrophobicContact CG1-CG1 4.46Å; Y736-V742 HydrophobicContact CD2-CG2 3.72Å; Y736-V742 HydrophobicContact CE2-CG2 4.39Å; Y736-V742 HydrophobicContact CG-CG2 3.77Å; F739-V742 VanDerWaalsContact O-CB 3.31Å; F739-V742 WeakPolarHBondContact O-CB 3.28Å; F739-V742 PolarHBondContact O-N 2.79Å; V742-R744 VanDerWaalsContact C-N 3.32Å; V742-R744 PolarHBondContact O-N 3.29Å; V742-D745 PolarHBondContact O-N 3.07Å; V742-V746 HydrophobicContact CG1-CG2 4.08Å; V742-V746 WeakPolarHBondContact O-CB 3.5Å; V742-V746 WeakPolarHBondContact O-CG2 3.43Å; V742-V746 PolarHBondContact O-N 3.2Å
743V93.8Very high91.7Very high33 Ų3361.3 Ų61.320%0.230%0.298CS..Hα-helixtrans-59.9-41.7-178.2-177.40000111.7V552 F739 G740 S747V552-V743 HydrophobicContact CG1-CG1 3.83Å; F739-V743 HydrophobicContact CD1-CG2 3.83Å; F739-V743 HydrophobicContact CE1-CG2 3.26Å; F739-V743 HydrophobicContact CZ-CG2 3.73Å; F739-V743 PolarHBondContact O-N 3.07Å; G740-V743 PolarHBondContact O-N 2.61Å; V743-S747 WeakPolarHBondContact O-CB 3.33Å; V743-S747 PolarHBondContact O-N 3.04Å; V743-S747 PolarHBondContact O-OG 3.33Å
744R94.1Very high91.4Very high145 Ų14563.6 Ų63.655%0.54731%0.307SS..Hα-helixtrans-60.7-53.4175.2-177.3-164.168.2-172.8-0.4111.6G740 N741 V742 V746 S747 Q748G740-R744 PolarHBondContact O-N 3.46Å; G740-R744 VanDerWaalsContact O-N 3.11Å; N741-R744 PolarHBondContact O-N 3.49Å; V742-R744 VanDerWaalsContact C-N 3.32Å; V742-R744 PolarHBondContact O-N 3.29Å; R744-V746 PolarHBondContact O-N 3.07Å; R744-S747 WeakPolarHBondContact O-CB 3.38Å; R744-S747 PolarHBondContact O-N 3.25Å; R744-Q748 PolarHBondContact O-N 3.24Å
745D94.3Very high91.1Very high24 Ų2467.6 Ų67.613%0.12833%0.327CS..Hα-helixtrans-69.6-33.7-173.9-69.815.6000112F513 Y736 N741 V742 Q748 F749F513-D745 HydrophobicContact CE2-CB 3.9Å; F513-D745 HydrophobicContact CZ-CB 4.18Å; Y736-D745 VanDerWaalsContact CE1-OD2 3.23Å; Y736-D745 WeakPolarHBondContact CE1-OD2 3.4Å; Y736-D745 WeakPolarHBondContact OH-CB 3.25Å; Y736-D745 PolarHBondContact OH-OD2 3.36Å; N741-D745 WeakPolarHBondContact O-CB 3.33Å; N741-D745 VanDerWaalsContact O-CG 3.3Å; N741-D745 PolarHBondContact O-N 3.42Å; V742-D745 PolarHBondContact O-N 3.07Å; D745-Q748 PolarHBondContact O-N 2.87Å; D745-F749 WeakPolarHBondContact O-CB 3.18Å; D745-F749 PolarHBondContact O-N 3.38Å
746V94.6Very high90.8Very high0 Ų068.6 Ų68.60%033%0.332CS..Hα-helixtrans-63.8-44.2170.8171.70000111.2F513 V552 F710 V742 R744 Q748 F749 F750F513-V746 HydrophobicContact CD1-CG2 3.9Å; F513-V746 HydrophobicContact CE1-CG2 3.38Å; F513-V746 HydrophobicContact CE2-CG2 4.37Å; F513-V746 HydrophobicContact CZ-CG2 3.66Å; V552-V746 HydrophobicContact CB-CG1 4.16Å; V552-V746 HydrophobicContact CG2-CB 4.35Å; V552-V746 HydrophobicContact CG2-CG1 3.63Å; F710-V746 HydrophobicContact CE1-CG1 4.49Å; F710-V746 HydrophobicContact CE1-CG2 3.52Å; F710-V746 HydrophobicContact CZ-CG1 4Å; F710-V746 HydrophobicContact CZ-CG2 3.85Å; V742-V746 HydrophobicContact CG1-CG2 4.08Å; V742-V746 WeakPolarHBondContact O-CB 3.5Å; V742-V746 WeakPolarHBondContact O-CG2 3.43Å; V742-V746 PolarHBondContact O-N 3.2Å; R744-V746 PolarHBondContact O-N 3.07Å; V746-Q748 VanDerWaalsContact C-N 3.28Å; V746-Q748 PolarHBondContact O-N 3.39Å; V746-F749 PolarHBondContact O-N 3Å; V746-F750 HydrophobicContact CG1-CD2 3.71Å; V746-F750 HydrophobicContact CG1-CE2 3.62Å; V746-F750 WeakPolarHBondContact O-CD2 3.31Å; V746-F750 PolarHBondContact O-N 2.97Å
747S93.6Very high90.4Very high38 Ų3868.9 Ų68.927%0.26633%0.333SS..Hα-helixtrans-62.4-38.3176.5-57.40000111.5V552 V743 R744 R751V552-S747 VanDerWaalsContact CG1-OG 3.25Å; V552-S747 WeakPolarHBondContact CG1-OG 3.49Å; V743-S747 WeakPolarHBondContact O-CB 3.33Å; V743-S747 PolarHBondContact O-N 3.04Å; V743-S747 PolarHBondContact O-OG 3.33Å; R744-S747 WeakPolarHBondContact O-CB 3.38Å; R744-S747 PolarHBondContact O-N 3.25Å; S747-R751 WeakPolarHBondContact O-CB 3.3Å; S747-R751 WeakPolarHBondContact O-CD 3.45Å; S747-R751 WeakPolarHBondContact O-CG 3.38Å; S747-R751 PolarHBondContact O-N 2.83Å
748Q93.6Very high89.5Confident119 Ų11966.9 Ų66.956%0.55633%0.328SS*.Hα-helixtrans-68.3-45.6174.4-175.8174.8-6.300111.5R744 D745 V746 R751 V752R744-Q748 PolarHBondContact O-N 3.24Å; D745-Q748 PolarHBondContact O-N 2.87Å; V746-Q748 VanDerWaalsContact C-N 3.28Å; V746-Q748 PolarHBondContact O-N 3.39Å; Q748-R751 PolarHBondContact O-N 3.12Å; Q748-V752 HydrophobicContact CG-CG2 4.35Å; Q748-V752 WeakPolarHBondContact O-CB 3.4Å; Q748-V752 VanDerWaalsContact O-CG2 3.3Å; Q748-V752 WeakPolarHBondContact O-CG2 3.49Å; Q748-V752 PolarHBondContact O-N 3.46Å
749F94.6Very high88Confident18 Ų1862.8 Ų62.88%0.07932%0.315CS..Hα-helixtrans-54.3-55.2177.1165.5-100.5000111.8D510 F513 G707 A708 D745 V746 R751 V752 A753D510-F749 WeakPolarHBondContact O-CE2 3.45Å; F513-F749 HydrophobicContact CB-CB 4.49Å; F513-F749 HydrophobicContact CB-CD1 3.78Å; F513-F749 HydrophobicContact CB-CD2 3.79Å; F513-F749 HydrophobicContact CB-CE1 3.85Å; F513-F749 HydrophobicContact CB-CE2 3.83Å; F513-F749 HydrophobicContact CB-CG 3.76Å; F513-F749 HydrophobicContact CB-CZ 3.88Å; F513-F749 HydrophobicContact CD2-CB 4.07Å; F513-F749 HydrophobicContact CD2-CD2 4.48Å; F513-F749 HydrophobicContact CD2-CG 4.22Å; F513-F749 HydrophobicContact CG-CD1 4.48Å; F513-F749 HydrophobicContact CG-CG 4.31Å; G707-F749 VanDerWaalsContact O-CZ 3.27Å; G707-F749 WeakPolarHBondContact O-CZ 3.49Å; A708-F749 HydrophobicContact CB-CE1 4.17Å; D745-F749 WeakPolarHBondContact O-CB 3.18Å; D745-F749 PolarHBondContact O-N 3.38Å; V746-F749 PolarHBondContact O-N 3Å; F749-R751 PolarHBondContact O-N 2.69Å; F749-V752 PolarHBondContact O-N 3.45Å; F749-A753 WeakPolarHBondContact O-CB 3.48Å; F749-A753 PolarHBondContact O-N 3.13Å
750F93.2Very high86.1Confident5 Ų568.2 Ų68.22%0.02235%0.349CS..Hα-helixtrans-64.5-38.1-178.8-75.8-62.6000112.7V552 V553 P554 R640 Y706 A708 V746 V752 A753 Q754V552-F750 WeakPolarHBondContact O-CD2 3.34Å; V553-F750 HydrophobicContact CB-CE2 4.28Å; V553-F750 HydrophobicContact CB-CZ 4.49Å; V553-F750 HydrophobicContact CG1-CE2 4.47Å; V553-F750 HydrophobicContact CG1-CZ 4.19Å; V553-F750 HydrophobicContact CG2-CE2 3.93Å; V553-F750 HydrophobicContact CG2-CZ 4.29Å; P554-F750 HydrophobicContact CG-CB 4.47Å; P554-F750 HydrophobicContact CG-CD1 3.75Å; P554-F750 HydrophobicContact CG-CE1 4.1Å; P554-F750 HydrophobicContact CG-CG 4.08Å; R640-F750 HydrophobicContact CB-CE1 4.34Å; R640-F750 WeakPolarHBondContact O-CZ 3.29Å; Y706-F750 HydrophobicContact CD2-CD1 4.38Å; Y706-F750 HydrophobicContact CE2-CD1 4.1Å; Y706-F750 HydrophobicContact CE2-CE1 4.48Å; A708-F750 HydrophobicContact CB-CE2 4.02Å; A708-F750 HydrophobicContact CB-CZ 3.69Å; V746-F750 HydrophobicContact CG1-CD2 3.71Å; V746-F750 HydrophobicContact CG1-CE2 3.62Å; V746-F750 WeakPolarHBondContact O-CD2 3.31Å; V746-F750 PolarHBondContact O-N 2.97Å; F750-V752 VanDerWaalsContact C-N 3.32Å; F750-V752 PolarHBondContact O-N 3.42Å; F750-A753 PolarHBondContact O-N 3.17Å; F750-Q754 VanDerWaalsContact O-CB 3.27Å; F750-Q754 WeakPolarHBondContact O-CB 3.37Å; F750-Q754 VanDerWaalsContact O-CG 3.24Å; F750-Q754 WeakPolarHBondContact O-CG 3.28Å; F750-Q754 PolarHBondContact O-N 2.96Å; F750-Q754 PolarHBondContact O-OE1 3.47Å
751R90.8Very high83.9Confident196 Ų19671.2 Ų71.274%0.7436%0.358SS*.Hα-helixtrans-66.2-31.8175.8-71.8174.673.4-174.54.7113.2S747 Q748 F749 K755S747-R751 WeakPolarHBondContact O-CB 3.3Å; S747-R751 WeakPolarHBondContact O-CD 3.45Å; S747-R751 WeakPolarHBondContact O-CG 3.38Å; S747-R751 PolarHBondContact O-N 2.83Å; Q748-R751 PolarHBondContact O-N 3.12Å; F749-R751 PolarHBondContact O-N 2.69Å; R751-K755 WeakPolarHBondContact O-CB 3.43Å; R751-K755 PolarHBondContact O-N 3.44Å
752V90.6Very high81.3Confident64 Ų6477.1 Ų77.139%0.38838%0.381SS..Hα-helixtrans-75.7-49.6174.5169.90000110.3Q748 F749 F750 Q754 K755 I756Q748-V752 HydrophobicContact CG-CG2 4.35Å; Q748-V752 WeakPolarHBondContact O-CB 3.4Å; Q748-V752 VanDerWaalsContact O-CG2 3.3Å; Q748-V752 WeakPolarHBondContact O-CG2 3.49Å; Q748-V752 PolarHBondContact O-N 3.46Å; F749-V752 PolarHBondContact O-N 3.45Å; F750-V752 VanDerWaalsContact C-N 3.32Å; F750-V752 PolarHBondContact O-N 3.42Å; V752-Q754 PolarHBondContact O-N 3.47Å; V752-K755 PolarHBondContact O-N 2.85Å; V752-I756 HydrophobicContact CG1-CD1 3.59Å; V752-I756 HydrophobicContact CG1-CG1 4.3Å; V752-I756 WeakPolarHBondContact O-CG1 3.4Å; V752-I756 PolarHBondContact O-N 3.3Å
753A87.8Confident78.4Confident2 Ų284 Ų842%0.01742%0.416CS..Hα-helixtrans-58.2-46.217900000112Y706 F749 F750 K755 I756 R757Y706-A753 HydrophobicContact CD1-CB 4.41Å; Y706-A753 HydrophobicContact CD2-CB 3.54Å; Y706-A753 HydrophobicContact CE2-CB 3.8Å; Y706-A753 HydrophobicContact CG-CB 3.89Å; F749-A753 WeakPolarHBondContact O-CB 3.48Å; F749-A753 PolarHBondContact O-N 3.13Å; F750-A753 PolarHBondContact O-N 3.17Å; A753-K755 PolarHBondContact O-N 3.06Å; A753-I756 PolarHBondContact O-N 3Å; A753-R757 PolarHBondContact O-N 3.27Å
754Q86.2Confident75.5Confident72 Ų7288 Ų8834%0.33644%0.443SS..Hα-helixtrans-62.7-24.8175-74.5173.9-32.900113.9Y706 F750 V752 P758Y706-Q754 WeakPolarHBondContact OH-CG 3.34Å; F750-Q754 VanDerWaalsContact O-CB 3.27Å; F750-Q754 WeakPolarHBondContact O-CB 3.37Å; F750-Q754 VanDerWaalsContact O-CG 3.24Å; F750-Q754 WeakPolarHBondContact O-CG 3.28Å; F750-Q754 PolarHBondContact O-N 2.96Å; F750-Q754 PolarHBondContact O-OE1 3.47Å; V752-Q754 PolarHBondContact O-N 3.47Å; Q754-P758 WeakPolarHBondContact O-CA 3.48Å
755K86.4Confident72.4Confident181 Ų18187.9 Ų87.979%0.78746%0.458SS*.Hα-helixtrans-84-36.3176.7-173.3-178.4177.6-1740112.2R751 V752 A753R751-K755 WeakPolarHBondContact O-CB 3.43Å; R751-K755 PolarHBondContact O-N 3.44Å; V752-K755 PolarHBondContact O-N 2.85Å; A753-K755 PolarHBondContact O-N 3.06Å
756I84.6Confident69.4Low96 Ų9694.8 Ų94.849%0.49249%0.494SS..Hα-helixtrans-78.5-41.4179.1-62.1174.2000110.5V752 A753 P758V752-I756 HydrophobicContact CG1-CD1 3.59Å; V752-I756 HydrophobicContact CG1-CG1 4.3Å; V752-I756 WeakPolarHBondContact O-CG1 3.4Å; V752-I756 PolarHBondContact O-N 3.3Å; A753-I756 PolarHBondContact O-N 3Å; I756-P758 WeakPolarHBondContact O-CD 3.36Å
757R80.5Confident66.4Low34 Ų34103.9 Ų103.913%0.12854%0.537CS..SBendtrans-12574.6-177-51.6-173.2-151.5-111.8-4.8109.2E508 D510 Q511 E704 Y706 A753E508-R757 IonicContact OE2-CZ 3.27Å; E508-R757 IonicContact OE2-NH1 3.59Å; E508-R757 PolarHBondContact OE2-NH1 3.05Å; E508-R757 VanDerWaalsContact OE2-NH1 3.15Å; E508-R757 IonicContact OE2-NH2 2.73Å; E508-R757 PolarHBondContact OE2-NH2 3.42Å; D510-R757 IonicContact OD1-NH2 3.4Å; D510-R757 PolarHBondContact OD1-NH2 3.32Å; D510-R757 IonicContact OD2-CZ 2.71Å; D510-R757 IonicContact OD2-NE 2.61Å; D510-R757 IonicContact OD2-NH2 2.78Å; D510-R757 PolarHBondContact OD2-NH2 3.49Å; Q511-R757 VanDerWaalsContact CG-NH2 3.34Å; E704-R757 IonicContact OE2-CZ 2.8Å; E704-R757 IonicContact OE2-NH1 3.85Å; E704-R757 PolarHBondContact OE2-NH1 3.41Å; Y706-R757 HydrophobicContact CD1-CB 4.47Å; Y706-R757 HydrophobicContact CE1-CB 4.47Å; A753-R757 PolarHBondContact O-N 3.27Å
758P63.8Low63.3Low94 Ų94108.5 Ų108.561%0.6156%0.564SS**  trans-65.4136.6-17927-34.7000111.5Q754 I756Q754-P758 WeakPolarHBondContact O-CA 3.48Å; I756-P758 WeakPolarHBondContact O-CD 3.36Å
759V57.9Low60.1Low63 Ų63111 Ų11138%0.38258%0.58SS.*  trans-68.9133177.4-179.30000109.8T637 V761T637-V759 HydrophobicContact CG2-CG1 4.48Å; V759-V761 PolarHBondContact O-N 3.21Å
760V51Low57.2Low137 Ų137115.1 Ų115.183%0.8361%0.608SS**  trans-73.991.2176.9-176.70000109.8K762V760-K762 PolarHBondContact O-N 3.16Å
761V45.3Very low54Low111 Ų111120.6 Ų120.667%0.67364%0.643SS**PPolyproline II helixtrans-71.2121.5177.1-179.30000110.1V759 I763V759-V761 PolarHBondContact O-N 3.21Å; V761-I763 HydrophobicContact CG1-CG1 4.38Å
762K38Very low50.8Low186 Ų186120.4 Ų120.481%0.80965%0.65SS**PPolyproline II helixtrans-78.2117.2165.9-65.6-178.1-178.7178.10108.8V760V760-K762 PolarHBondContact O-N 3.16Å
763I31.1Very low47.5Very low146 Ų146122.9 Ų122.975%0.74967%0.669SS**PPolyproline II helixtrans-93.2128177.8-56175.8000108.8V761V761-I763 HydrophobicContact CG1-CG1 4.38Å
764P32.8Very low44.4Very low117 Ų117128.2 Ų128.276%0.7671%0.706SS**PPolyproline II helixtrans-73.1133.1168.3-11.327.6000110.6
765T29Very low41.5Very low142 Ų142129.6 Ų129.687%0.87172%0.724SS**PPolyproline II helixtrans-75.2135.2172.541.20000111.3
766L32.7Very low38.6Very low169 Ų169128.4 Ų128.489%0.88573%0.726SS**PPolyproline II helixtrans-83.3154175.4-139.681000111.3
767E32.3Very low35.6Very low191 Ų191130.2 Ų130.289%0.89374%0.742SS**PPolyproline II helixtrans-79.6154.5179.1-59.9175.7138.800112.5
768T27.9Very low33.5Very low135 Ų135134.3 Ų134.383%0.82877%0.773SS**  trans-127.1131.617948.80000112.2
769L26.1Very low31.5Very low172 Ų172135.5 Ų135.590%0.90178%0.783SS**  trans-79.5156.3169.1-74162.7000111.5
770P32.6Very low29.9Very low104 Ų104142.9 Ų142.968%0.67581%0.811SS**  trans-110.9167.4-162.840.7-35.1000116.9
771T26Very low28.6Very low121 Ų121142 Ų14274%0.74281%0.811SS**  trans84.2111.9154.7-130000118.9
772E23.6Very low27.7Very low191 Ų191142.7 Ų142.789%0.89382%0.82SS**  -168.3171.998.6-98.7-173-179.400111.4
773C22.6Very low26.9Very low117 Ų117137.6 Ų137.679%0.79182%0.821SS**  trans-123.8150.4-158-63.90000114.9
774S22.7Very low26.5Very low113 Ų113136 Ų13679%0.7982%0.823SS**  trans-175.2133.9135.8300000116
775S24.5Very low26.1Very low102 Ų102135.6 Ų135.671%0.71383%0.829SS**  trans45.5140.4146.253.50000125.4
776N25.2Very low25.8Very low155 Ų155134.1 Ų134.183%0.82983%0.825SS**  trans92.1146.5153.3-60.3-14.5000120.3
777T23.3Very low25.4Very low135 Ų135134.4 Ų134.483%0.82882%0.821SS**  trans-132.4174.3-167.743.20000110.5
778P35.3Very low25Very low119 Ų119130.4 Ų130.477%0.77382%0.815SS**  cis-130149.6-23.131.1-14.1000113.8
779S22.1Very low24.8Very low120 Ų120133.9 Ų133.984%0.83981%0.814SS**  trans-158.1155.4158.457.60000113.7
780F24.8Very low24.8Very low217 Ų217134.2 Ų134.295%0.95281%0.811SS**  trans-56.3133.2-175.6-80.2-109.4000115.2
781S22.5Very low24.5Very low120 Ų120135.8 Ų135.884%0.83982%0.819SS**  trans-158.4159141.962.50000111.4
782S26.1Very low24.6Very low124 Ų124139.3 Ų139.387%0.86783%0.827SS**  trans-84.8136-177.153.90000112.8
783G21.7Very low24.9Very low80 Ų80139.1 Ų139.183%0.82582%0.823SS**  trans-144.5145.5172.600000112.3
784S23.3Very low25.2Very low113 Ų113138.1 Ų138.179%0.7982%0.823SS**  trans-88.9140.6-176.152.60000113.2
785A23.6Very low25.6Very low108 Ų108141.1 Ų141.189%0.89382%0.822SS**  trans-83.3135.2155.500000109.7
786S23.4Very low25.7Very low111 Ų111140.8 Ų140.878%0.77683%0.825SS**  trans-116124.7-177.955.20000111.4
787E24.9Very low26.5Very low174 Ų174141.4 Ų141.481%0.81383%0.828SS**PPolyproline II helixtrans-100.3127.4161-71.7-170.3146.400109.7
788S22.8Very low26.6Very low108 Ų108139.9 Ų139.976%0.75581%0.814SS**PPolyproline II helixtrans-90.5123.8-173.851.90000112.1
789Y24.5Very low26.2Very low207 Ų207137.6 Ų137.681%0.81281%0.805SS**PPolyproline II helixtrans-102.3118.5170.3-72-76.9000111.2
790H24.6Very low26.6Very low180 Ų180140.5 Ų140.583%0.83381%0.805SS**PPolyproline II helixtrans-67.8134.2166.4-68.7-89.8000110.4
791T26.8Very low26.7Very low137 Ų137137.9 Ų137.984%0.8480%0.8SS**PPolyproline II helixtrans-99119.7173520000111
792Q29.6Very low26.9Very low195 Ų195137.5 Ų137.591%0.91180%0.795SS**PPolyproline II helixtrans-78.9155-179.1-68.7172.9-34.200112.8
793K29.1Very low26.9Very low187 Ų187136.8 Ų136.881%0.81379%0.79SS**PPolyproline II helixtrans-76132.6173.5-62.8172.8-178.6172.20109.4K795K793-K795 PolarHBondContact O-N 3.17Å
794A28.7Very low27.4Very low95 Ų95139.5 Ų139.579%0.78579%0.785SS**PPolyproline II helixtrans-76.4122.7177.700000111.9
795K30.5Very low27.5Very low177 Ų177144.3 Ų144.377%0.7779%0.792SS**  trans-114.7142.1157-73.9-179.3178.9175.80106.6K793 D855K793-K795 PolarHBondContact O-N 3.17Å; K795-D855 IonicContact NZ-OD2 3.84Å
796A27.5Very low27.7Very low95 Ų95149.3 Ų149.379%0.78579%0.787SS**SBendtrans68.5165.8-173.100000116D798A796-D798 PolarHBondContact O-N 3.47Å; A796-D798 VanDerWaalsContact O-N 3.14Å
797L40.9Very low27.8Very low168 Ų168155.7 Ų155.788%0.8879%0.794SS**SBendtrans-8470.5-176.4-104.7139.4000110.7
798D25.6Very low27.9Very low103 Ų103156.6 Ų156.655%0.55180%0.796SS**  trans-144.1143.3175.6-121.3-33.1000112.8K199 A796K199-D798 IonicContact NZ-OD2 2.69Å; A796-D798 PolarHBondContact O-N 3.47Å; A796-D798 VanDerWaalsContact O-N 3.14Å
799A26.7Very low27.8Very low70 Ų70158 Ų15858%0.57979%0.794SS**  trans35.2103.6167.200000121.2
800H31Very low27.8Very low182 Ų182154 Ų15484%0.84379%0.787SS**  169.5136.595.1-92.7-64.9000115.1
801L26.8Very low27.8Very low162 Ų162154 Ų15485%0.84879%0.787SS**  trans-106.7129.6152.9-83.6172.1000109.7
802P26.3Very low27.7Very low111 Ų111156.3 Ų156.372%0.72179%0.788SS**  trans-92.3100.4174.133.4-30.3000111.4
803S26.8Very low27.5Very low110 Ų110151.5 Ų151.577%0.76978%0.776SS**  trans-160.4156.1168.1-87.40000113
804L31.8Very low27.3Very low136 Ų136154 Ų15471%0.71278%0.78SS**  trans66.546.3168.4-50.9-176.5000119.1F15F15-L804 HydrophobicContact CD1-CD1 4.01Å; F15-L804 HydrophobicContact CE1-CD1 3.67Å; F15-L804 HydrophobicContact CZ-CD1 4.39Å
805K25.2Very low27.1Very low215 Ų215153 Ų15394%0.93577%0.772SS**PPolyproline II helixtrans-72124.2151.4-82-169.2176.7-1780109.5
806R27.3Very low26.8Very low213 Ų213152.7 Ų152.780%0.80478%0.779SS**PPolyproline II helixtrans-81.5143.3173.7-76.6-174.5171.6-157.6-4.1111.3
807R26.6Very low26.7Very low245 Ų245151.1 Ų151.193%0.92577%0.772SS**PPolyproline II helixtrans-63.8144.8154.6-85-180168.2170.3-4.9109.7
808K26Very low26Very low193 Ų193150.5 Ų150.584%0.83978%0.775SS**  trans-148.8145.1154.1-123.3-160.6172.9-136.10108.9
809L22.3Very low26Very low137 Ų137149.9 Ų149.972%0.71778%0.784SS**  trans-77.7166.8155.3-60.784.1000106.3
810D24.2Very low25.9Very low124 Ų124155.8 Ų155.866%0.66380%0.797SS**  -161.9169.452.9-78.6-66.4000113.2
811E25Very low25.6Very low178 Ų178154.8 Ų154.883%0.83280%0.797SS**  trans49118.6145-68.2175.7147.500122.7
812Q23.8Very low25.4Very low187 Ų187152.7 Ų152.787%0.87479%0.794SS**  trans-12.7146.1131-64.5172.318.200116.4
813S25.3Very low25.3Very low93 Ų93154.4 Ų154.465%0.6580%0.796SS**  cis-172.3167.7-1.860.90000112.3
814R24.4Very low25.1Very low240 Ų240153.2 Ų153.291%0.90679%0.793SS**  trans66.2147154.3-72.8172.1178.5-174.2-0.1117.9
815A24.9Very low24.7Very low75 Ų75157.3 Ų157.362%0.6280%0.8SS**  cis-161.9161.3-12.200000111.6
816N24.3Very low24.7Very low169 Ų169155.8 Ų155.890%0.90480%0.797SS**  trans57.1134.3156.8-56.8-9.3000120
817G26.1Very low24.5Very low63 Ų63151 Ų15165%0.64980%0.796SS**  cis155.1166.2-9.500000114
818V25.6Very low24.4Very low155 Ų155146.7 Ų146.794%0.93979%0.786SS**  trans72.2138.4166.3-175.20000114.7
819A25.9Very low24.3Very low90 Ų90143.6 Ų143.674%0.74478%0.783SS**  cis-128.3158.95.100000113.4
820K24.7Very low24.5Very low193 Ų193144.2 Ų144.284%0.83978%0.782SS**  trans-89.4153.7152.9-67.8179.4176.4-178.60108.9
821L23.6Very low24.6Very low162 Ų162146.9 Ų146.985%0.84879%0.791SS**  trans-141.9130.8139.5-145.584.6000109.6
822C22.2Very low24.8Very low117 Ų117142.3 Ų142.379%0.79178%0.778SS**  trans-125.8112.8171.4-59.20000107.5
823I24.4Very low25.2Very low148 Ų148140.9 Ų140.976%0.75977%0.772SS**  trans-134.5130.8158.7-64.5-175.1000105.8
824A23.5Very low25.8Very low85 Ų85146.3 Ų146.370%0.70278%0.778SS**  trans-84.1150.417600000110.4
825Y23.3Very low26.6Very low221 Ų221143.8 Ų143.887%0.86777%0.774SS**  trans-142.2120.5152.2-118.8-81.8000109
826E25.3Very low27.3Very low183 Ų183142.6 Ų142.686%0.85576%0.76SS**  trans-80137.7169.9-64.4172.7133.600108.8
827S23Very low28.3Very low113 Ų113138.3 Ų138.379%0.7974%0.74SS**  trans-161.594.2164.3-78.80000108.5
828E25.5Very low29.3Very low155 Ų155138.2 Ų138.272%0.72472%0.724SS**  trans-67141.1173.9-59.8-171.7105.100111.3Q830E828-Q830 PolarHBondContact OE1-NE2 3.29Å
829V23.7Very low30.6Very low128 Ų128130.9 Ų130.978%0.77668%0.68SS**  trans-131.873.1153.4-171.90000109Q831V829-Q831 HydrophobicContact CG1-CG 4.44Å; V829-Q831 PolarHBondContact O-N 2.77Å
830Q26.2Very low32.1Very low149 Ų149127.6 Ų127.670%0.69665%0.65SS**  trans-71.8109.5165.6-61.9-173.320.500109.8E828 S832E828-Q830 PolarHBondContact OE1-NE2 3.29Å; Q830-S832 PolarHBondContact O-N 3.15Å
831Q24.9Very low33.5Very low181 Ų181120.7 Ų120.785%0.84662%0.622SS**  trans-8582.3164.8-73.1-157.1-1.600111V829 Q833V829-Q831 HydrophobicContact CG1-CG 4.44Å; V829-Q831 PolarHBondContact O-N 2.77Å; Q831-Q833 PolarHBondContact O-N 2.69Å
832S30.5Very low34.9Very low81 Ų81115.2 Ų115.257%0.56660%0.6SS**  trans-56.1129.3173.259.50000112.6Q830 R834Q830-S832 PolarHBondContact O-N 3.15Å; S832-R834 PolarHBondContact O-N 2.95Å
833Q32.8Very low36.2Very low157 Ų157111.3 Ų111.373%0.73457%0.571SS**  trans-69.589.9169.5-78.4-150.934.400110.8Q831Q831-Q833 PolarHBondContact O-N 2.69Å
834R36.1Very low37.2Very low207 Ų207110.5 Ų110.578%0.78156%0.564SS**PPolyproline II helixtrans-63.8137171.8-69.6-177.8175.2170.10.1110.9S832S832-R834 PolarHBondContact O-N 2.95Å
835K41.8Very low38.1Very low187 Ų187113.9 Ų113.981%0.81356%0.559SS**PPolyproline II helixtrans-67.6140.1167.3-69173.8-179.1169.70108.9T837K835-T837 PolarHBondContact O-N 3.29Å
836P40.8Very low38.9Very low51 Ų51106.3 Ų106.333%0.33155%0.548SS..PPolyproline II helixtrans-65.6125.3-175.226.2-34.5000111.3D841P836-D841 HydrophobicContact CB-CB 3.72Å
837T43.9Very low39.3Very low79 Ų79104.1 Ų104.149%0.48554%0.542SS..  trans-96-9.6-176.248.50000114.1K835K835-T837 PolarHBondContact O-N 3.29Å
838N48.2Very low39.4Very low61 Ų61109.1 Ų109.133%0.32654%0.544SS..SBendtrans-151.3156.8-170.829.9-80.5000111.5L840 D841 A842N838-L840 VanDerWaalsContact C-N 3.29Å; N838-L840 PolarHBondContact O-N 3.5Å; N838-D841 PolarHBondContact ND2-OD1 3.08Å; N838-D841 PolarHBondContact ND2-OD2 3.21Å; N838-D841 PolarHBondContact O-N 2.98Å; N838-D841 PolarHBondContact OD1-OD2 3.48Å; N838-A842 PolarHBondContact O-N 3.42Å
839L52.3Low39.4Very low1 Ų1106.7 Ų106.71%0.00554%0.543CS..Hα-helixtrans-56.5-38.9-173.1177.859.4000113.7D841 A842 L843 A910 L914 F968L839-D841 PolarHBondContact O-N 3.43Å; L839-A842 WeakPolarHBondContact O-CB 3.38Å; L839-A842 PolarHBondContact O-N 3.11Å; L839-L843 PolarHBondContact O-N 3.03Å; L839-L843 VanDerWaalsContact O-N 3.08Å; L839-A910 HydrophobicContact CB-CB 4.41Å; L839-L914 HydrophobicContact CD1-CD1 3.47Å; L839-L914 VanDerWaalsContact CD1-CD1 3.47Å; L839-L914 HydrophobicContact CD1-CD2 3.98Å; L839-L914 HydrophobicContact CD1-CG 3.56Å; L839-F968 HydrophobicContact CB-CD1 3.38Å; L839-F968 HydrophobicContact CB-CE1 3.47Å; L839-F968 VanDerWaalsContact CB-CE1 3.47Å; L839-F968 HydrophobicContact CB-CG 4.02Å; L839-F968 HydrophobicContact CB-CZ 4.18Å; L839-F968 HydrophobicContact CD2-CD1 3.96Å; L839-F968 HydrophobicContact CD2-CD2 3.69Å; L839-F968 HydrophobicContact CD2-CE1 3.94Å; L839-F968 HydrophobicContact CD2-CE2 3.71Å; L839-F968 HydrophobicContact CD2-CG 3.83Å; L839-F968 HydrophobicContact CD2-CZ 3.82Å; L839-F968 HydrophobicContact CG-CD1 4.32Å; L839-F968 HydrophobicContact CG-CE1 4.32Å
840L57Low39.3Very low20 Ų20110.1 Ų110.111%0.10554%0.542CS..Hα-helixtrans-63.1-23.4179.3-59.9176.3000113.2N838 K937N838-L840 VanDerWaalsContact C-N 3.29Å; N838-L840 PolarHBondContact O-N 3.5Å; L840-K937 HydrophobicContact CB-CD 4Å; L840-K937 HydrophobicContact CB-CG 4.3Å; L840-K937 HydrophobicContact CD2-CB 4.37Å; L840-K937 HydrophobicContact CD2-CG 4.5Å; L840-K937 WeakPolarHBondContact O-CE 3.11Å; L840-K937 PolarHBondContact O-NZ 3.4Å
841D54.5Low39.1Very low49 Ų49109.3 Ų109.326%0.26254%0.538SS..Hα-helixtrans-89.1-23.4175.6-51.1-14.5000111.4P836 N838 L839P836-D841 HydrophobicContact CB-CB 3.72Å; N838-D841 PolarHBondContact ND2-OD1 3.08Å; N838-D841 PolarHBondContact ND2-OD2 3.21Å; N838-D841 PolarHBondContact O-N 2.98Å; N838-D841 PolarHBondContact OD1-OD2 3.48Å; L839-D841 PolarHBondContact O-N 3.43Å
842A53.7Low39Very low47 Ų47107.5 Ų107.539%0.38853%0.534SS..Hα-helixtrans-76.4-34.3176.100000112.1N838 L839 E844N838-A842 PolarHBondContact O-N 3.42Å; L839-A842 WeakPolarHBondContact O-CB 3.38Å; L839-A842 PolarHBondContact O-N 3.11Å; A842-E844 VanDerWaalsContact C-N 3.27Å; A842-E844 PolarHBondContact O-N 3.39Å
843L48.1Very low38.8Very low34 Ų34109 Ų10918%0.17854%0.535CS..G310 helixtrans-65.4-30.1173.6-71.2170.6000112.5L839 R845 G846 V930 L933 Q934L839-L843 PolarHBondContact O-N 3.03Å; L839-L843 VanDerWaalsContact O-N 3.08Å; L843-R845 VanDerWaalsContact C-N 3.33Å; L843-R845 PolarHBondContact O-N 2.85Å; L843-G846 PolarHBondContact O-N 3.11Å; L843-V930 HydrophobicContact CD2-CG1 3.96Å; L843-L933 HydrophobicContact CD1-CB 4.44Å; L843-Q934 HydrophobicContact CD1-CG 4.48Å
844E46.3Very low38.5Very low132 Ų132108.5 Ų108.562%0.61753%0.531SS*.G310 helixtrans-76.7-17.6-175-162.2154.5-99.200113.9A842 K937A842-E844 VanDerWaalsContact C-N 3.27Å; A842-E844 PolarHBondContact O-N 3.39Å; E844-K937 IonicContact OE1-NZ 2.68Å; E844-K937 PolarHBondContact OE1-NZ 2.85Å; E844-K937 IonicContact OE2-NZ 2.69Å; E844-K937 PolarHBondContact OE2-NZ 3.44Å
845R41.4Very low37.9Very low156 Ų156104 Ų10459%0.58952%0.522SS*.G310 helixtrans-97.318.9169.8-59.6-169.1-175.8-148.62.3112.8L843L843-R845 VanDerWaalsContact C-N 3.33Å; L843-R845 PolarHBondContact O-N 2.85Å
846G40.4Very low37Very low62 Ų62101.7 Ų101.764%0.63952%0.519SS*.SBendtrans-73.7-37.9174.200000112.9L843L843-G846 PolarHBondContact O-N 3.11Å
847D33.2Very low36.3Very low137 Ų137105 Ų10573%0.73354%0.538SS*.SBendtrans-114.8138.1179.1-78-53.3000111.4
848R25.9Very low35.3Very low218 Ų218104.8 Ų104.882%0.82355%0.552SS**  trans69.2123.1-174.7-45.7174.8-171.4-157.9-0.8111.2
849C25.3Very low34.3Very low104 Ų104109.5 Ų109.570%0.70357%0.571SS**  cis66.3150.743.7-151.70000112.5
850W21.2Very low33Very low199 Ų199117.2 Ų117.275%0.75461%0.608SS**  trans67.1145.8-175.5-37.795.6000113.2
851E21.8Very low31.6Very low133 Ų133125.9 Ų125.962%0.62164%0.644SS**  cis-155.2-161.7-26.3-135.7164-16300108
852D24.8Very low30.1Very low143 Ų143128.7 Ų128.777%0.76567%0.674SS**  trans-65.8174177.4-54.4-62.2000112.8
853D24.4Very low28.8Very low111 Ų111131.4 Ų131.459%0.59469%0.69SS**  cis-157.6175.517.1-151.92.6000114.6
854K26.5Very low28Very low148 Ų148141.2 Ų141.264%0.64373%0.725SS**  trans5.3163.8152.4-83.2173-145.9710124.7
855D23.7Very low27.3Very low111 Ų111142.5 Ų142.559%0.59474%0.735SS**  cis-119.1-109.9-8-143-28000110.6K795K795-D855 IonicContact NZ-OD2 3.84Å
856D22.8Very low26.9Very low140 Ų140137 Ų13775%0.74972%0.721SS**  cis-156.1-169.2-10.3-150-28.3000110.2
857V27.8Very low27Very low121 Ų121135 Ų13573%0.73370%0.696SS**  trans-85.4142.8-1551670000117.7E859V857-E859 HydrophobicContact CG1-CG 4.2Å
858G22.4Very low27.2Very low74 Ų74129.6 Ų129.676%0.76367%0.667SS**  trans-155.7116152.300000110.7
859E26.1Very low27.7Very low159 Ų159124.5 Ų124.574%0.74367%0.665SS**  trans-79.9171.3178.9-57.1176.6139.800109.9V857V857-E859 HydrophobicContact CG1-CG 4.2Å
860E25.1Very low28.2Very low164 Ų164125.7 Ų125.777%0.76666%0.663SS**  cis-161.1146.117-166.6-165.1-145.300110.5
861K28.7Very low28.7Very low202 Ų202119.3 Ų119.388%0.87864%0.642SS**  trans172.891.6138-97.8157.7-173.8164.50112.4
862A23.3Very low29.1Very low107 Ų107120.4 Ų120.488%0.88464%0.641SS**  trans-94.3126.2172.200000111.3
863S26.6Very low29.2Very low104 Ų104120.7 Ų120.773%0.72764%0.643SS**  trans-151.8134.2158.587.80000112
864R30.1Very low29.4Very low241 Ų241125.1 Ų125.191%0.90966%0.657SS**  trans62.482.5167.9-53.6-177.7-176.1-161.7-0.1117
865L30.8Very low29.4Very low159 Ų159125 Ų12583%0.83266%0.657SS**  trans-101109.4152.6-69.2171.8000109.2
866S33.4Very low29.4Very low40 Ų40127.9 Ų127.928%0.2867%0.669SS.*  trans-99.3134.7153171.60000107.2E584 L868E584-S866 PolarHBondContact OE1-OG 3.11Å; S866-L868 PolarHBondContact O-N 3.27Å; S866-L868 WeakPolarHBondContact OG-CG 3.24Å; S866-L868 PolarHBondContact OG-N 2.75Å
867T43.4Very low29.7Very low19 Ų19127.6 Ų127.612%0.11766%0.663CS.*G310 helixtrans-71.1-10-176.264.10000113.1M589 F590 V602 S869 L870M589-T867 PolarHBondContact O-OG1 3.47Å; F590-T867 HydrophobicContact CD1-CG2 4.05Å; V602-T867 HydrophobicContact CG1-CG2 4.39Å; V602-T867 HydrophobicContact CG2-CG2 4.24Å; T867-S869 PolarHBondContact O-N 3.22Å; T867-L870 PolarHBondContact O-N 3.48Å
868L37.2Very low30.1Very low25 Ų25127.7 Ų127.713%0.13166%0.659CS.*G310 helixtrans-69.6-32.6-175.7-58.1172.7000113.2R575 T580 E584 V591 S866 L870 Q871R575-L868 VanDerWaalsContact NH2-CD2 3.3Å; T580-L868 HydrophobicContact CG2-CD1 3.31Å; E584-L868 VanDerWaalsContact CD-CD1 3.46Å; E584-L868 HydrophobicContact CG-CD1 4.25Å; E584-L868 WeakPolarHBondContact OE2-CD1 3.5Å; V591-L868 HydrophobicContact CG2-CD2 4.32Å; S866-L868 PolarHBondContact O-N 3.27Å; S866-L868 WeakPolarHBondContact OG-CG 3.24Å; S866-L868 PolarHBondContact OG-N 2.75Å; L868-L870 PolarHBondContact O-N 3.47Å; L868-Q871 PolarHBondContact O-N 2.85Å
869S36Very low30.4Very low111 Ų111130.4 Ų130.478%0.77665%0.652SS**G310 helixtrans-69.5-13.2174.8-63.10000113.6T867T867-S869 PolarHBondContact O-N 3.22Å
870L36.1Very low30.5Very low128 Ų128129.5 Ų129.567%0.6765%0.651SS**G310 helixtrans-10110.3-177.7-60.8174000113.2T867 L868T867-L870 PolarHBondContact O-N 3.48Å; L868-L870 PolarHBondContact O-N 3.47Å
871Q31.4Very low30.5Very low66 Ų66133.6 Ų133.631%0.30866%0.66SS.*SBendtrans-104.22.3-176.5-68.2-154-3700115.6V591 L868V591-Q871 VanDerWaalsContact CG1-NE2 3.28Å; L868-Q871 PolarHBondContact O-N 2.85Å
872Y31.3Very low30.6Very low155 Ų155128.5 Ų128.561%0.60866%0.664SS**SBendtrans-118.331.3176.3-89.8-100.4000114.3E572E572-Y872 WeakPolarHBondContact CG-OH 3.35Å; E572-Y872 PolarHBondContact OE1-OH 3.38Å
873D26.8Very low30.7Very low150 Ų150126.2 Ų126.280%0.80265%0.652SS**  trans-104.1109.5155.6-86.9-52.1000109.9
874K28.4Very low31.3Very low203 Ų203131.6 Ų131.688%0.88366%0.662SS**PPolyproline II helixtrans-76.7124.5174.1-86.1-177.7176.2175.80109.7M876K874-M876 PolarHBondContact O-N 2.8Å
875K27.1Very low31.2Very low146 Ų146131.7 Ų131.764%0.63566%0.662SS**PPolyproline II helixtrans-56.5135165.8-81.8-161171-159.30112.1E877K875-E877 HydrophobicContact CD-CG 4.15Å; K875-E877 VanDerWaalsContact CD-OE2 3.3Å; K875-E877 WeakPolarHBondContact CD-OE2 3.47Å; K875-E877 IonicContact NZ-OE1 3.44Å; K875-E877 PolarHBondContact NZ-OE1 3.13Å; K875-E877 IonicContact NZ-OE2 3.52Å; K875-E877 PolarHBondContact NZ-OE2 3.37Å
876M22.5Very low31.5Very low172 Ų172133.8 Ų133.885%0.84767%0.665SS**PPolyproline II helixtrans-89.6126143.9-77.8-78-14700108.4K874K874-M876 PolarHBondContact O-N 2.8Å
877E28.7Very low31.3Very low134 Ų134139.6 Ų139.663%0.62669%0.691SS**  trans-152.2132.2163.8-80.8-179.9158.100106.3K875K875-E877 HydrophobicContact CD-CG 4.15Å; K875-E877 VanDerWaalsContact CD-OE2 3.3Å; K875-E877 WeakPolarHBondContact CD-OE2 3.47Å; K875-E877 IonicContact NZ-OE1 3.44Å; K875-E877 PolarHBondContact NZ-OE1 3.13Å; K875-E877 IonicContact NZ-OE2 3.52Å; K875-E877 PolarHBondContact NZ-OE2 3.37Å
878D36.6Very low30.5Very low123 Ų123146.3 Ų146.366%0.65872%0.718SS**  cis-161.2164.3-14-142.8-33.7000109.5
879E29.3Very low29.8Very low131 Ų131153.3 Ų153.361%0.61276%0.755SS**  trans175.9118.3133-100.2-169.3140.500113.9
880L26.8Very low29.3Very low139 Ų139153.6 Ų153.673%0.72875%0.747SS**  trans53.592.8135.9-60.3172.4000119.9
881R25.9Very low28.8Very low251 Ų251155.8 Ų155.895%0.94775%0.753SS**  -159.3121.1115.9-109.8170.8-166.9-144.31.8112.4G883R881-G883 VanDerWaalsContact C-N 3.26Å; R881-G883 PolarHBondContact O-N 3.02Å
882G30.3Very low28.4Very low94 Ų94161.5 Ų161.597%0.96978%0.78SS**  trans-72.46618000000114.6
883G25.3Very low28.1Very low60 Ų60162.7 Ų162.762%0.61979%0.791SS**  trans-105.2102.5174.700000112.2R881 R885R881-G883 VanDerWaalsContact C-N 3.26Å; R881-G883 PolarHBondContact O-N 3.02Å; G883-R885 PolarHBondContact O-N 2.86Å
884K40.1Very low27.9Very low217 Ų217165.4 Ų165.494%0.94380%0.796SS**  trans-64.389.7179.2-69.6-176.6179.8178.50112.2
885R28.7Very low27.7Very low242 Ų242160 Ų16091%0.91379%0.789SS**  trans-102.7113.8169.1-73-168.9171.8-165.1-2.1110.9G883G883-R885 PolarHBondContact O-N 2.86Å
886K36.2Very low27.5Very low204 Ų204158.4 Ų158.489%0.88780%0.796SS**  trans-73.9127.8173.8-62.5170.7179172.40110.1
887I29.5Very low27.6Very low161 Ų161156.9 Ų156.983%0.82680%0.796SS**  trans-133.298.2150.8-55.5-178.1000104
888K26.2Very low27.4Very low161 Ų161155.6 Ų155.670%0.780%0.802SS**  65.674.376.6-160.9-170.7-175-168.80111I890K888-I890 HydrophobicContact CD-CG1 4.39Å; K888-I890 HydrophobicContact CG-CG1 4.34Å; K888-I890 PolarHBondContact O-N 3.11Å; K888-I890 VanDerWaalsContact O-N 3.16Å
889L23.2Very low26.9Very low171 Ų171158.4 Ų158.490%0.89581%0.811SS**  trans-54.3115155.4-108.8162.7000107.8
890I25.5Very low26.8Very low118 Ų118160 Ų16061%0.60582%0.824SS**  trans-93.6117.9158.8-67.8-179000105.7K888 E892K888-I890 HydrophobicContact CD-CG1 4.39Å; K888-I890 HydrophobicContact CG-CG1 4.34Å; K888-I890 PolarHBondContact O-N 3.11Å; K888-I890 VanDerWaalsContact O-N 3.16Å; I890-E892 PolarHBondContact O-N 3.16Å
891Q24.8Very low26.7Very low173 Ų173156 Ų15681%0.80882%0.816SS**  trans-85103.1173176.4178.8-5.100106.8Q893Q891-Q893 PolarHBondContact O-N 2.86Å
892E23.3Very low26.9Very low187 Ų187149.6 Ų149.687%0.87481%0.81SS**  trans-64.7127.6173.4-84-161.4148.100110.2I890I890-E892 PolarHBondContact O-N 3.16Å
893Q25.1Very low27.1Very low180 Ų180152.7 Ų152.784%0.84180%0.799SS**  trans-84.3123.8-179.9-63.3166.3-63.300108.8Q891 A895Q891-Q893 PolarHBondContact O-N 2.86Å; Q893-A895 PolarHBondContact O-N 3Å
894K22.1Very low27.7Very low207 Ų207158.6 Ų158.690%0.981%0.811SS**  trans-82.899.7159.7-159.7172.7-170.2177.50108S896K894-S896 PolarHBondContact O-N 2.78Å
895A23.8Very low28.1Very low88 Ų88152.6 Ų152.673%0.72780%0.796SS**  trans-68128.9-178.200000111.6Q893Q893-A895 PolarHBondContact O-N 3Å
896S22.8Very low29.3Very low114 Ų114147.2 Ų147.280%0.79778%0.78SS**  trans-111.3123.8160.352.30000107.8K894K894-S896 PolarHBondContact O-N 2.78Å
897V25.6Very low30.2Very low139 Ų139139.1 Ų139.184%0.84275%0.75SS**  trans-96.8109.1-173.7178.30000111.1
898S25Very low31.7Very low108 Ų108133.1 Ų133.176%0.75573%0.729SS**  trans-169.3158.1136.5-3.90000110.1
899E25.8Very low33.5Very low182 Ų182134.6 Ų134.685%0.8573%0.73SS**  trans-56.1160178.7-59.4108.617100113.5
900D26Very low35.5Very low163 Ų163126.9 Ų126.987%0.87269%0.69SS**  cis-159.5174.328-165.47.5000112.7
901G26.2Very low37.4Very low55 Ų55128.5 Ų128.557%0.56769%0.693SS**  trans8962.6141.900000122.8
902S30.1Very low39.7Very low118 Ų118125.2 Ų125.283%0.82568%0.678SS**  trans43.5112.9144.6660000123.6
903E33.8Very low42.3Very low158 Ų158117.2 Ų117.274%0.73864%0.64SS**  trans-172.772.6132.3-103.5-94.1111.500110.6K906E903-K906 IonicContact OE1-NZ 3.89Å; E903-K906 PolarHBondContact OE1-NZ 2.97Å; E903-K906 IonicContact OE2-NZ 3.67Å
904E38.4Very low44.7Very low185 Ų185110.7 Ų110.786%0.86461%0.611SS**  trans-70.3143.1170.3-76.5-160.1125.100112.1K906E904-K906 PolarHBondContact O-N 3.13Å
905S48.5Very low47.2Very low90 Ų90102.9 Ų102.963%0.62959%0.585SS**  trans-63.6121.6-171.881.10000112.9A907 G908S905-A907 PolarHBondContact O-N 3.49Å; S905-G908 PolarHBondContact O-N 3.49Å
906K54.2Low49.6Very low130 Ų130101 Ų10157%0.56556%0.562SS**Hα-helixtrans-55.8-27.5-178.3-67.6164.9176105.70113.3E903 E904 G908 R909 A910E903-K906 IonicContact OE1-NZ 3.89Å; E903-K906 PolarHBondContact OE1-NZ 2.97Å; E903-K906 IonicContact OE2-NZ 3.67Å; E904-K906 PolarHBondContact O-N 3.13Å; K906-G908 VanDerWaalsContact C-N 3.33Å; K906-G908 PolarHBondContact O-N 2.8Å; K906-R909 PolarHBondContact O-N 3.49Å; K906-A910 PolarHBondContact O-N 3.48Å
907A54.7Low52.2Low33 Ų3395.5 Ų95.527%0.27352%0.524SS..Hα-helixtrans-69.4-22.5174.300000114.5S905 K911S905-A907 PolarHBondContact O-N 3.49Å; A907-K911 WeakPolarHBondContact O-CG 3.43Å; A907-K911 PolarHBondContact O-N 3.3Å
908G60.4Low54.7Low36 Ų3695.5 Ų95.537%0.37151%0.513SS..Hα-helixtrans-71.6-51.917100000111.2S905 K906 A910 K911 Q912S905-G908 PolarHBondContact O-N 3.49Å; K906-G908 VanDerWaalsContact C-N 3.33Å; K906-G908 PolarHBondContact O-N 2.8Å; G908-A910 VanDerWaalsContact C-N 3.31Å; G908-A910 PolarHBondContact O-N 2.96Å; G908-K911 PolarHBondContact O-N 3.43Å; G908-Q912 PolarHBondContact O-N 3.37Å
909R63.6Low57.2Low192 Ų19297.4 Ų97.473%0.72551%0.508SS*.Hα-helixtrans-57.2-41.6179.6-139.4173.9-168.9159.92.4112.4K906 K911 Q912 F913K906-R909 PolarHBondContact O-N 3.49Å; R909-K911 PolarHBondContact O-N 3.35Å; R909-Q912 PolarHBondContact O-N 3.46Å; R909-F913 WeakPolarHBondContact O-CB 3.39Å; R909-F913 PolarHBondContact O-N 3.47Å
910A65.3Low59.4Low8 Ų892.4 Ų92.47%0.06649%0.493CS..Hα-helixtrans-63.7-37.4175.400000113.9L839 K906 G908 L914 F968L839-A910 HydrophobicContact CB-CB 4.41Å; K906-A910 PolarHBondContact O-N 3.48Å; G908-A910 VanDerWaalsContact C-N 3.31Å; G908-A910 PolarHBondContact O-N 2.96Å; A910-L914 PolarHBondContact O-N 2.78Å; A910-F968 HydrophobicContact CB-CE1 3.89Å; A910-F968 HydrophobicContact CB-CZ 4.29Å
911K66.5Low61.9Low152 Ų15285.9 Ų85.966%0.66146%0.458SS*.Hα-helixtrans-71.9-37.5176.3-75172.5-178172.60112.2A907 G908 R909 A915A907-K911 WeakPolarHBondContact O-CG 3.43Å; A907-K911 PolarHBondContact O-N 3.3Å; G908-K911 PolarHBondContact O-N 3.43Å; R909-K911 PolarHBondContact O-N 3.35Å; K911-A915 WeakPolarHBondContact O-CB 3.47Å; K911-A915 PolarHBondContact O-N 3.41Å; K911-A915 VanDerWaalsContact O-N 3.14Å
912Q72.1Confident64.4Low104 Ų10486.3 Ų86.349%0.48645%0.452SS..Hα-helixtrans-63.9-48.3175.7-17257.141.800110.4G908 R909 L914 A915 D916G908-Q912 PolarHBondContact O-N 3.37Å; R909-Q912 PolarHBondContact O-N 3.46Å; Q912-L914 PolarHBondContact O-N 3.48Å; Q912-A915 WeakPolarHBondContact O-CA 3.4Å; Q912-A915 WeakPolarHBondContact O-CB 3.38Å; Q912-A915 PolarHBondContact O-N 2.58Å; Q912-D916 WeakPolarHBondContact CG-OD2 3.46Å; Q912-D916 VanDerWaalsContact NE2-CG 3.31Å; Q912-D916 PolarHBondContact NE2-OD1 2.84Å; Q912-D916 VanDerWaalsContact NE2-OD1 3.15Å; Q912-D916 PolarHBondContact NE2-OD2 2.74Å; Q912-D916 PolarHBondContact O-N 3.16Å
913F77.5Confident66.5Low20 Ų2088.4 Ų88.49%0.08845%0.446CS..Hα-helixtrans-56.5-45177.6-176.6-100.1000113.5R909 A915 D916 M917 L961 F965 F968R909-F913 WeakPolarHBondContact O-CB 3.39Å; R909-F913 PolarHBondContact O-N 3.47Å; F913-A915 VanDerWaalsContact C-N 3.32Å; F913-A915 PolarHBondContact O-N 3.26Å; F913-D916 PolarHBondContact O-N 3.42Å; F913-M917 HydrophobicContact CD1-CG 4.28Å; F913-M917 HydrophobicContact CD1-SD 3.93Å; F913-M917 HydrophobicContact CE1-CG 3.86Å; F913-M917 HydrophobicContact CE1-SD 3.31Å; F913-M917 WeakPolarHBondContact CE1-SD 3.29Å; F913-M917 HydrophobicContact CZ-CG 4Å; F913-M917 HydrophobicContact CZ-SD 3.88Å; F913-M917 PolarHBondContact O-N 2.73Å; F913-L961 HydrophobicContact CE2-CB 4.48Å; F913-L961 HydrophobicContact CE2-CD2 4Å; F913-L961 WeakPolarHBondContact CZ-O 3.35Å; F913-F965 AromaticContact CE1-CD1 3.97Å; F913-F965 HydrophobicContact CE1-CD1 3.97Å; F913-F965 AromaticContact CE1-CE1 3.75Å; F913-F965 HydrophobicContact CE1-CE1 3.75Å; F913-F965 HydrophobicContact CE1-CZ 4.42Å; F913-F965 HydrophobicContact CZ-CD1 4.13Å; F913-F965 AromaticContact CZ-CE1 3.99Å; F913-F965 HydrophobicContact CZ-CE1 3.99Å; F913-F965 HydrophobicContact CZ-CZ 4.31Å; F913-F968 HydrophobicContact CB-CZ 4.36Å; F913-F968 HydrophobicContact CD1-CD2 4.5Å; F913-F968 AromaticContact CD1-CE2 3.4Å; F913-F968 HydrophobicContact CD1-CE2 3.4Å; F913-F968 VanDerWaalsContact CD1-CE2 3.4Å; F913-F968 AromaticContact CD1-CZ 3.87Å; F913-F968 HydrophobicContact CD1-CZ 3.87Å; F913-F968 HydrophobicContact CE1-CD2 4.36Å; F913-F968 AromaticContact CE1-CE2 3.6Å; F913-F968 HydrophobicContact CE1-CE2 3.6Å; F913-F968 HydrophobicContact CG-CE2 4.04Å; F913-F968 HydrophobicContact CG-CZ 4.24Å; F913-F968 HydrophobicContact CZ-CE2 4.4Å
914L76.1Confident68.5Low42 Ų4286.5 Ų86.522%0.2245%0.445CS..Hα-helixtrans-60.8-39.3172.5-84.6-176.1000113.1L839 A910 Q912 D916 K918L839-L914 HydrophobicContact CD1-CD1 3.47Å; L839-L914 VanDerWaalsContact CD1-CD1 3.47Å; L839-L914 HydrophobicContact CD1-CD2 3.98Å; L839-L914 HydrophobicContact CD1-CG 3.56Å; A910-L914 PolarHBondContact O-N 2.78Å; Q912-L914 PolarHBondContact O-N 3.48Å; L914-D916 VanDerWaalsContact C-N 3.29Å; L914-D916 PolarHBondContact O-N 2.84Å; L914-K918 VanDerWaalsContact O-CB 3.29Å; L914-K918 WeakPolarHBondContact O-CB 3.33Å; L914-K918 PolarHBondContact O-N 3.08Å; L914-K918 VanDerWaalsContact O-N 3.08Å
915A75.2Confident70.3Confident43 Ų4379.9 Ų79.936%0.35542%0.419SS..Hα-helixtrans-68.7-30.318000000112.1K911 Q912 F913 K919K911-A915 WeakPolarHBondContact O-CB 3.47Å; K911-A915 PolarHBondContact O-N 3.41Å; K911-A915 VanDerWaalsContact O-N 3.14Å; Q912-A915 WeakPolarHBondContact O-CA 3.4Å; Q912-A915 WeakPolarHBondContact O-CB 3.38Å; Q912-A915 PolarHBondContact O-N 2.58Å; F913-A915 VanDerWaalsContact C-N 3.32Å; F913-A915 PolarHBondContact O-N 3.26Å; A915-K919 WeakPolarHBondContact O-CG 3.36Å; A915-K919 PolarHBondContact O-N 3.5Å
916D73.8Confident71.8Confident48 Ų4876.6 Ų76.626%0.25739%0.394SS..Hα-helixtrans-84.5-41.3179-62.1-34000111.8Q912 F913 L914 K918 K919 S920Q912-D916 WeakPolarHBondContact CG-OD2 3.46Å; Q912-D916 VanDerWaalsContact NE2-CG 3.31Å; Q912-D916 PolarHBondContact NE2-OD1 2.84Å; Q912-D916 VanDerWaalsContact NE2-OD1 3.15Å; Q912-D916 PolarHBondContact NE2-OD2 2.74Å; Q912-D916 PolarHBondContact O-N 3.16Å; F913-D916 PolarHBondContact O-N 3.42Å; L914-D916 VanDerWaalsContact C-N 3.29Å; L914-D916 PolarHBondContact O-N 2.84Å; D916-K918 PolarHBondContact O-N 3.17Å; D916-K919 PolarHBondContact O-N 2.76Å; D916-K919 IonicContact OD1-NZ 3.9Å; D916-K919 PolarHBondContact OD1-NZ 2.89Å; D916-S920 PolarHBondContact O-N 3.49Å; D916-S920 PolarHBondContact O-OG 2.91Å
917M78.3Confident72.9Confident0 Ų074.1 Ų74.10%039%0.386CS..Hα-helixtrans-50.1-43.1165.1-80.6-173.868.800112F913 K919 S920 L921 F926 I929 L961 F965F913-M917 HydrophobicContact CD1-CG 4.28Å; F913-M917 HydrophobicContact CD1-SD 3.93Å; F913-M917 HydrophobicContact CE1-CG 3.86Å; F913-M917 HydrophobicContact CE1-SD 3.31Å; F913-M917 WeakPolarHBondContact CE1-SD 3.29Å; F913-M917 HydrophobicContact CZ-CG 4Å; F913-M917 HydrophobicContact CZ-SD 3.88Å; F913-M917 PolarHBondContact O-N 2.73Å; M917-K919 VanDerWaalsContact C-N 3.25Å; M917-K919 PolarHBondContact O-N 3.1Å; M917-S920 PolarHBondContact O-N 2.95Å; M917-L921 HydrophobicContact CB-CD1 4.43Å; M917-L921 HydrophobicContact CE-CD1 3.91Å; M917-L921 WeakPolarHBondContact O-CB 3.36Å; M917-L921 WeakPolarHBondContact O-CG 3.47Å; M917-L921 PolarHBondContact O-N 2.86Å; M917-L921 VanDerWaalsContact O-N 3.11Å; M917-F926 HydrophobicContact CB-CD2 4.15Å; M917-F926 HydrophobicContact CB-CE2 4.03Å; M917-I929 HydrophobicContact CE-CB 4.39Å; M917-I929 HydrophobicContact CE-CG2 3.7Å; M917-L961 HydrophobicContact CG-CD2 4.21Å; M917-F965 HydrophobicContact CE-CE1 4.02Å; M917-F965 HydrophobicContact CE-CZ 3.71Å; M917-F965 HydrophobicContact SD-CE1 3.75Å; M917-F965 HydrophobicContact SD-CZ 3.86Å
918K77Confident74.1Confident139 Ų13976.7 Ų76.760%0.60439%0.393SS*.Hα-helixtrans-72.2-12.9-179.2-172157.6-176.2154.60114.4L914 D916 F926L914-K918 VanDerWaalsContact O-CB 3.29Å; L914-K918 WeakPolarHBondContact O-CB 3.33Å; L914-K918 PolarHBondContact O-N 3.08Å; L914-K918 VanDerWaalsContact O-N 3.08Å; D916-K918 PolarHBondContact O-N 3.17Å; K918-F926 HydrophobicContact CB-CD2 4.01Å; K918-F926 HydrophobicContact CB-CE2 3.66Å; K918-F926 HydrophobicContact CB-CZ 4.08Å; K918-F926 HydrophobicContact CD-CE1 4.19Å; K918-F926 HydrophobicContact CD-CE2 4.49Å; K918-F926 HydrophobicContact CD-CZ 4.08Å; K918-F926 HydrophobicContact CG-CE2 4.32Å; K918-F926 HydrophobicContact CG-CZ 4.39Å
919K78Confident75Confident148 Ų14875.3 Ų75.364%0.64338%0.377SS*.Hα-helixtrans-91.5-40.3171.3-66.9164.3-166.8163.90111.7A915 D916 M917A915-K919 WeakPolarHBondContact O-CG 3.36Å; A915-K919 PolarHBondContact O-N 3.5Å; D916-K919 PolarHBondContact O-N 2.76Å; D916-K919 IonicContact OD1-NZ 3.9Å; D916-K919 PolarHBondContact OD1-NZ 2.89Å; M917-K919 VanDerWaalsContact C-N 3.25Å; M917-K919 PolarHBondContact O-N 3.1Å
920S72.6Confident75.8Confident77 Ų7767.2 Ų67.254%0.53835%0.348SS..Hα-helixtrans-85.1-17.2-171.7-610000114.4D916 M917D916-S920 PolarHBondContact O-N 3.49Å; D916-S920 PolarHBondContact O-OG 2.91Å; M917-S920 PolarHBondContact O-N 2.95Å
921L77.3Confident76.5Confident25 Ų2573.3 Ų73.313%0.13138%0.375CS..SBendtrans-113.4149.1-174.8-56.5179.4000112.3M917 F926 I929 L952 T958 L961M917-L921 HydrophobicContact CB-CD1 4.43Å; M917-L921 HydrophobicContact CE-CD1 3.91Å; M917-L921 WeakPolarHBondContact O-CB 3.36Å; M917-L921 WeakPolarHBondContact O-CG 3.47Å; M917-L921 PolarHBondContact O-N 2.86Å; M917-L921 VanDerWaalsContact O-N 3.11Å; L921-F926 HydrophobicContact CB-CB 4.38Å; L921-I929 HydrophobicContact CD1-CD1 3.87Å; L921-L952 HydrophobicContact CD1-CD2 3.99Å; L921-L952 HydrophobicContact CD2-CD2 3.4Å; L921-L952 HydrophobicContact CG-CD2 4.36Å; L921-T958 HydrophobicContact CD2-CG2 4.01Å; L921-L961 HydrophobicContact CD2-CD1 4.45Å; L921-L961 HydrophobicContact CG-CD1 4.45Å
922S79.3Confident77.1Confident64 Ų6466.4 Ų66.445%0.44835%0.347SS..  trans-59.2151.517095.60000110.2V924 S925 F926S922-V924 VanDerWaalsContact C-N 3.26Å; S922-V924 PolarHBondContact O-N 3.34Å; S922-V924 PolarHBondContact OG-N 2.95Å; S922-S925 PolarHBondContact O-N 3.14Å; S922-S925 WeakPolarHBondContact OG-CB 3.46Å; S922-S925 PolarHBondContact OG-N 3.1Å; S922-S925 VanDerWaalsContact OG-N 3.11Å; S922-S925 PolarHBondContact OG-OG 2.86Å; S922-F926 WeakPolarHBondContact O-CB 3.46Å; S922-F926 PolarHBondContact O-N 3.4Å
923K73.1Confident77.4Confident163 Ų16361.7 Ų61.771%0.70933%0.325SS*.Hα-helixtrans-57.3-40.9179.9-171-170.2170.1-1590112F926 D927K923-F926 PolarHBondContact O-N 2.7Å; K923-D927 WeakPolarHBondContact CE-OD2 3.36Å; K923-D927 WeakPolarHBondContact O-CB 3.34Å; K923-D927 VanDerWaalsContact O-CG 3.29Å; K923-D927 PolarHBondContact O-N 3.33Å
924V76.8Confident77.4Confident118 Ų11864.6 Ų64.672%0.71534%0.339SS*.Hα-helixtrans-65.2-47.8179.4-1770000110.5S922 F926 D927 H928S922-V924 VanDerWaalsContact C-N 3.26Å; S922-V924 PolarHBondContact O-N 3.34Å; S922-V924 PolarHBondContact OG-N 2.95Å; V924-F926 VanDerWaalsContact C-N 3.34Å; V924-F926 PolarHBondContact O-N 3.01Å; V924-D927 PolarHBondContact O-N 3.05Å; V924-H928 VanDerWaalsContact O-CB 3.3Å; V924-H928 WeakPolarHBondContact O-CB 3.35Å; V924-H928 PolarHBondContact O-N 3.09Å
925S75.2Confident77.6Confident45 Ų4564.9 Ų64.932%0.31535%0.345SS..Hα-helixtrans-60.6-43.3176.8-46.70000111.7S922 H928 I929S922-S925 PolarHBondContact O-N 3.14Å; S922-S925 WeakPolarHBondContact OG-CB 3.46Å; S922-S925 PolarHBondContact OG-N 3.1Å; S922-S925 VanDerWaalsContact OG-N 3.11Å; S922-S925 PolarHBondContact OG-OG 2.86Å; S925-H928 PolarHBondContact O-N 3.09Å; S925-I929 WeakPolarHBondContact O-CB 3.49Å; S925-I929 VanDerWaalsContact O-CD1 3.32Å; S925-I929 WeakPolarHBondContact O-CD1 3.45Å; S925-I929 VanDerWaalsContact O-CG1 3.28Å; S925-I929 WeakPolarHBondContact O-CG1 3.38Å; S925-I929 PolarHBondContact O-N 3.01Å
926F80.6Confident78Confident22 Ų2263 Ų6310%0.09633%0.328CS..Hα-helixtrans-62.7-49.9178.2177.7-89.2000112M917 K918 L921 S922 K923 V924 H928 I929 V930M917-F926 HydrophobicContact CB-CD2 4.15Å; M917-F926 HydrophobicContact CB-CE2 4.03Å; K918-F926 HydrophobicContact CB-CD2 4.01Å; K918-F926 HydrophobicContact CB-CE2 3.66Å; K918-F926 HydrophobicContact CB-CZ 4.08Å; K918-F926 HydrophobicContact CD-CE1 4.19Å; K918-F926 HydrophobicContact CD-CE2 4.49Å; K918-F926 HydrophobicContact CD-CZ 4.08Å; K918-F926 HydrophobicContact CG-CE2 4.32Å; K918-F926 HydrophobicContact CG-CZ 4.39Å; L921-F926 HydrophobicContact CB-CB 4.38Å; S922-F926 WeakPolarHBondContact O-CB 3.46Å; S922-F926 PolarHBondContact O-N 3.4Å; K923-F926 PolarHBondContact O-N 2.7Å; V924-F926 VanDerWaalsContact C-N 3.34Å; V924-F926 PolarHBondContact O-N 3.01Å; F926-H928 VanDerWaalsContact C-N 3.31Å; F926-H928 PolarHBondContact O-N 2.82Å; F926-I929 PolarHBondContact O-N 2.84Å; F926-V930 HydrophobicContact CD1-CG2 4.34Å; F926-V930 HydrophobicContact CE1-CG2 3.91Å; F926-V930 HydrophobicContact CE2-CG2 4.41Å; F926-V930 HydrophobicContact CZ-CG2 3.95Å; F926-V930 WeakPolarHBondContact O-CG2 3.47Å; F926-V930 PolarHBondContact O-N 3.19Å
927D77.4Confident78.2Confident77 Ų7763.4 Ų63.441%0.41233%0.328SS..Hα-helixtrans-64.3-37.8-179.5-68.1-23.6000110.5K923 V924 V930 Q931K923-D927 WeakPolarHBondContact CE-OD2 3.36Å; K923-D927 WeakPolarHBondContact O-CB 3.34Å; K923-D927 VanDerWaalsContact O-CG 3.29Å; K923-D927 PolarHBondContact O-N 3.33Å; V924-D927 PolarHBondContact O-N 3.05Å; D927-V930 PolarHBondContact O-N 2.87Å; D927-Q931 PolarHBondContact O-N 3.08Å
928H79.6Confident78.2Confident88 Ų8871.9 Ų71.941%0.40736%0.364SS..Hα-helixtrans-63.7-48175-168.778.4000113.2V924 S925 F926 V930 Q931 A932 E948V924-H928 VanDerWaalsContact O-CB 3.3Å; V924-H928 WeakPolarHBondContact O-CB 3.35Å; V924-H928 PolarHBondContact O-N 3.09Å; S925-H928 PolarHBondContact O-N 3.09Å; F926-H928 VanDerWaalsContact C-N 3.31Å; F926-H928 PolarHBondContact O-N 2.82Å; H928-V930 VanDerWaalsContact C-N 3.32Å; H928-V930 PolarHBondContact O-N 2.85Å; H928-Q931 WeakPolarHBondContact O-CA 3.48Å; H928-Q931 WeakPolarHBondContact O-CB 3.26Å; H928-Q931 PolarHBondContact O-N 3.04Å; H928-Q931 VanDerWaalsContact O-N 3.09Å; H928-A932 PolarHBondContact O-N 3.05Å; H928-E948 IonicContact CD2-OE2 3.58Å; H928-E948 IonicContact CE1-OE2 2.6Å; H928-E948 IonicContact NE2-OE2 2.68Å; H928-E948 PolarHBondContact NE2-OE2 3.44Å
929I79.4Confident78.3Confident6 Ų669.2 Ų69.23%0.03136%0.36CS..Hα-helixtrans-66.4-34.4178.3-67.9157.3000111.4M917 L921 S925 F926 Q931 A932 L933 T949 L952 F965M917-I929 HydrophobicContact CE-CB 4.39Å; M917-I929 HydrophobicContact CE-CG2 3.7Å; L921-I929 HydrophobicContact CD1-CD1 3.87Å; S925-I929 WeakPolarHBondContact O-CB 3.49Å; S925-I929 VanDerWaalsContact O-CD1 3.32Å; S925-I929 WeakPolarHBondContact O-CD1 3.45Å; S925-I929 VanDerWaalsContact O-CG1 3.28Å; S925-I929 WeakPolarHBondContact O-CG1 3.38Å; S925-I929 PolarHBondContact O-N 3.01Å; F926-I929 PolarHBondContact O-N 2.84Å; I929-Q931 VanDerWaalsContact C-N 3.33Å; I929-A932 PolarHBondContact O-N 2.84Å; I929-L933 HydrophobicContact CG2-CD1 4.37Å; I929-L933 WeakPolarHBondContact O-CG 3.17Å; I929-L933 PolarHBondContact O-N 3.25Å; I929-T949 HydrophobicContact CG2-CG2 4.02Å; I929-L952 HydrophobicContact CD1-CD1 3.76Å; I929-L952 HydrophobicContact CD1-CD2 4.04Å; I929-L952 HydrophobicContact CD1-CG 4.01Å; I929-F965 HydrophobicContact CG2-CE1 4.36Å; I929-F965 HydrophobicContact CG2-CZ 3.9Å
930V80.5Confident78.4Confident22 Ų2263.8 Ų63.813%0.13334%0.338CS..Hα-helixtrans-64-39.4171.7169.40000111.1L843 F926 D927 H928 L933 Q934L843-V930 HydrophobicContact CD2-CG1 3.96Å; F926-V930 HydrophobicContact CD1-CG2 4.34Å; F926-V930 HydrophobicContact CE1-CG2 3.91Å; F926-V930 HydrophobicContact CE2-CG2 4.41Å; F926-V930 HydrophobicContact CZ-CG2 3.95Å; F926-V930 WeakPolarHBondContact O-CG2 3.47Å; F926-V930 PolarHBondContact O-N 3.19Å; D927-V930 PolarHBondContact O-N 2.87Å; H928-V930 VanDerWaalsContact C-N 3.32Å; H928-V930 PolarHBondContact O-N 2.85Å; V930-L933 PolarHBondContact O-N 3.29Å; V930-Q934 WeakPolarHBondContact O-CG 3.3Å; V930-Q934 PolarHBondContact O-N 3Å
931Q79.8Confident78.9Confident136 Ų13663.3 Ų63.364%0.63633%0.329SS*.Hα-helixtrans-65.8-39.9174.7-172.9169.8-19.700112.2D927 H928 I929 Q934 S935D927-Q931 PolarHBondContact O-N 3.08Å; H928-Q931 WeakPolarHBondContact O-CA 3.48Å; H928-Q931 WeakPolarHBondContact O-CB 3.26Å; H928-Q931 PolarHBondContact O-N 3.04Å; H928-Q931 VanDerWaalsContact O-N 3.09Å; I929-Q931 VanDerWaalsContact C-N 3.33Å; Q931-Q934 PolarHBondContact O-N 3.03Å; Q931-S935 PolarHBondContact O-N 2.89Å
932A79.6Confident79.2Confident8 Ų862.6 Ų62.67%0.06633%0.326CS..Hα-helixtrans-61.2-43.2173.400000112.5H928 I929 Q934 S935 Y936 L945 E948H928-A932 PolarHBondContact O-N 3.05Å; I929-A932 PolarHBondContact O-N 2.84Å; A932-Q934 VanDerWaalsContact C-N 3.35Å; A932-Q934 PolarHBondContact O-N 3.07Å; A932-S935 WeakPolarHBondContact O-CB 3.47Å; A932-S935 PolarHBondContact O-N 3.42Å; A932-Y936 PolarHBondContact O-N 3.34Å; A932-L945 HydrophobicContact CB-CD1 4.24Å; A932-E948 HydrophobicContact CB-CB 3.68Å; A932-E948 HydrophobicContact CB-CG 4.25Å
933L78.9Confident79.2Confident5 Ų562.9 Ų62.93%0.02633%0.328CS..Hα-helixtrans-63.5-37174.3-72.9166.6000112.8L843 I929 V930 K937 L945 F965L843-L933 HydrophobicContact CD1-CB 4.44Å; I929-L933 HydrophobicContact CG2-CD1 4.37Å; I929-L933 WeakPolarHBondContact O-CG 3.17Å; I929-L933 PolarHBondContact O-N 3.25Å; V930-L933 PolarHBondContact O-N 3.29Å; L933-K937 PolarHBondContact O-N 3.08Å; L933-K937 VanDerWaalsContact O-N 3.12Å; L933-L945 HydrophobicContact CD2-CD1 3.85Å; L933-L945 HydrophobicContact CD2-CD2 4.36Å; L933-L945 HydrophobicContact CG-CD1 4.21Å; L933-F965 HydrophobicContact CD1-CE1 4.03Å; L933-F965 HydrophobicContact CD2-CD1 4.35Å
934Q76.4Confident79.5Confident81 Ų8158 Ų5838%0.37931%0.311SS..Hα-helixtrans-68.8-34.1173.1-71.9-1779.500112.4L843 V930 Q931 A932 K937L843-Q934 HydrophobicContact CD1-CG 4.48Å; V930-Q934 WeakPolarHBondContact O-CG 3.3Å; V930-Q934 PolarHBondContact O-N 3Å; Q931-Q934 PolarHBondContact O-N 3.03Å; A932-Q934 VanDerWaalsContact C-N 3.35Å; A932-Q934 PolarHBondContact O-N 3.07Å; Q934-K937 PolarHBondContact O-N 3.13Å
935S81.1Confident79.7Confident48 Ų4852.5 Ų52.534%0.33628%0.278SS..Hα-helixtrans-64.1-52.6173.5-165.70000110.7Q931 A932 K937 K938 T939Q931-S935 PolarHBondContact O-N 2.89Å; A932-S935 WeakPolarHBondContact O-CB 3.47Å; A932-S935 PolarHBondContact O-N 3.42Å; S935-K937 PolarHBondContact O-N 3.19Å; S935-K938 WeakPolarHBondContact O-CA 3.48Å; S935-K938 PolarHBondContact O-N 3.44Å; S935-T939 PolarHBondContact O-N 2.89Å; S935-T939 PolarHBondContact O-OG1 2.64Å
936Y84.2Confident80Confident4 Ų451.7 Ų51.72%0.01627%0.27CS..Hα-helixtrans-57.8-30.6176.2177.9-118.5000113.7A932 K938 D940 D941 L942 L945 R970 H973A932-Y936 PolarHBondContact O-N 3.34Å; Y936-K938 VanDerWaalsContact C-N 3.27Å; Y936-K938 PolarHBondContact O-N 2.97Å; Y936-D940 WeakPolarHBondContact CE2-OD1 3.24Å; Y936-D940 WeakPolarHBondContact O-CA 3.16Å; Y936-D940 PolarHBondContact O-N 3.3Å; Y936-D941 WeakPolarHBondContact CD2-O 3.36Å; Y936-L942 HydrophobicContact CE2-CB 4.33Å; Y936-L942 HydrophobicContact CE2-CD1 4.18Å; Y936-L945 HydrophobicContact CD1-CD2 3.67Å; Y936-L945 HydrophobicContact CD2-CB 4.38Å; Y936-L945 HydrophobicContact CD2-CD2 4.39Å; Y936-L945 HydrophobicContact CE1-CD2 4.01Å; Y936-L945 HydrophobicContact CG-CB 4.28Å; Y936-L945 HydrophobicContact CG-CD2 3.86Å; Y936-R970 HydrophobicContact CE1-CG 4.24Å; Y936-R970 PolarHBondContact O-NH2 2.89Å; Y936-R970 PolarHBondContact OH-N 3.14Å; Y936-H973 AromaticContact CE2-ND1 3.97Å; Y936-H973 WeakPolarHBondContact OH-CB 3.24Å; Y936-H973 PolarHBondContact OH-ND1 3.18Å
937K76.8Confident80.1Confident55 Ų5555.5 Ų55.524%0.23930%0.295CS..Hα-helixtrans-63.4-33.4171.7-159.2-172.5-178.8-177.10112.3L840 E844 L933 Q934 S935 R970L840-K937 HydrophobicContact CB-CD 4Å; L840-K937 HydrophobicContact CB-CG 4.3Å; L840-K937 HydrophobicContact CD2-CB 4.37Å; L840-K937 HydrophobicContact CD2-CG 4.5Å; L840-K937 WeakPolarHBondContact O-CE 3.11Å; L840-K937 PolarHBondContact O-NZ 3.4Å; E844-K937 IonicContact OE1-NZ 2.68Å; E844-K937 PolarHBondContact OE1-NZ 2.85Å; E844-K937 IonicContact OE2-NZ 2.69Å; E844-K937 PolarHBondContact OE2-NZ 3.44Å; L933-K937 PolarHBondContact O-N 3.08Å; L933-K937 VanDerWaalsContact O-N 3.12Å; Q934-K937 PolarHBondContact O-N 3.13Å; S935-K937 PolarHBondContact O-N 3.19Å; K937-R970 PolarHBondContact O-NH2 2.76Å
938K77.9Confident80.1Confident178 Ų17855.5 Ų55.577%0.77429%0.293SS*.Hα-helixtrans-90.7-38.5-177.3-64.4176.1-175.8174.50113.5S935 Y936S935-K938 WeakPolarHBondContact O-CA 3.48Å; S935-K938 PolarHBondContact O-N 3.44Å; Y936-K938 VanDerWaalsContact C-N 3.27Å; Y936-K938 PolarHBondContact O-N 2.97Å
939T78.9Confident79.9Confident83 Ų8351.3 Ų51.351%0.50927%0.273SS..Hα-helixtrans-96.4-23.9-174.8600000114.4S935 D941S935-T939 PolarHBondContact O-N 2.89Å; S935-T939 PolarHBondContact O-OG1 2.64Å; T939-D941 PolarHBondContact O-N 3.47Å; T939-D941 PolarHBondContact OG1-N 3.39Å
940D81.4Confident79.6Confident35 Ų3552.8 Ų52.819%0.18729%0.287CS..  trans56.717.1-166.3-144.2-7.3000114.8Y936 L942 R970 H972 H973Y936-D940 WeakPolarHBondContact CE2-OD1 3.24Å; Y936-D940 WeakPolarHBondContact O-CA 3.16Å; Y936-D940 PolarHBondContact O-N 3.3Å; D940-L942 PolarHBondContact O-N 2.88Å; D940-R970 VanDerWaalsContact CG-CD 3.48Å; D940-R970 VanDerWaalsContact CG-NH1 3.27Å; D940-R970 WeakPolarHBondContact OD1-CD 3.35Å; D940-R970 IonicContact OD1-CZ 2.79Å; D940-R970 IonicContact OD1-NE 3.93Å; D940-R970 PolarHBondContact OD1-NE 2.98Å; D940-R970 IonicContact OD1-NH1 3.51Å; D940-R970 IonicContact OD1-NH2 3.25Å; D940-R970 WeakPolarHBondContact OD2-CD 3.32Å; D940-R970 IonicContact OD2-CZ 3.95Å; D940-R970 IonicContact OD2-NE 2.79Å; D940-R970 PolarHBondContact OD2-NE 3.13Å; D940-R970 IonicContact OD2-NH1 3.38Å; D940-R970 PolarHBondContact OD2-NH1 3.41Å; D940-R970 IonicContact OD2-NH2 3.6Å; D940-H972 IonicContact OD1-NE2 3.71Å; D940-H972 IonicContact OD2-NE2 3.75Å; D940-H972 PolarHBondContact OD2-NE2 3.26Å; D940-H973 PolarHBondContact O-CE1 3Å; D940-H973 IonicContact OD1-CE1 2.74Å; D940-H973 PolarHBondContact OD1-CE1 3.17Å; D940-H973 IonicContact OD1-ND1 2.73Å; D940-H973 PolarHBondContact OD1-ND1 3.25Å
941D82.1Confident79.2Confident66 Ų6656 Ų5635%0.35331%0.306SS..  trans-82.6104.8179.1-169.9-19.7000111.4Y936 T939 S943 V944Y936-D941 WeakPolarHBondContact CD2-O 3.36Å; T939-D941 PolarHBondContact O-N 3.47Å; T939-D941 PolarHBondContact OG1-N 3.39Å; D941-S943 VanDerWaalsContact C-N 3.28Å; D941-S943 PolarHBondContact O-N 3.11Å; D941-S943 WeakPolarHBondContact OD1-CA 3.3Å; D941-S943 VanDerWaalsContact OD1-CB 3.3Å; D941-S943 WeakPolarHBondContact OD1-CB 3.46Å; D941-S943 PolarHBondContact OD1-N 3.27Å; D941-S943 PolarHBondContact OD1-OG 2.97Å; D941-S943 PolarHBondContact OD2-OG 3.36Å; D941-V944 HydrophobicContact CB-CG2 4.32Å; D941-V944 PolarHBondContact OD1-N 3.43Å
942L83.9Confident78.9Confident11 Ų1149.8 Ų49.86%0.05828%0.277CS..Hα-helixtrans-66.4-28.5177.4-169.368.7000112.8Y936 D940 L945 L946 V969 H973 T976 F977Y936-L942 HydrophobicContact CE2-CB 4.33Å; Y936-L942 HydrophobicContact CE2-CD1 4.18Å; D940-L942 PolarHBondContact O-N 2.88Å; L942-L945 PolarHBondContact O-N 3.32Å; L942-L946 HydrophobicContact CD2-CD1 4.22Å; L942-L946 HydrophobicContact CG-CD1 3.99Å; L942-L946 HydrophobicContact CG-CG 4.34Å; L942-L946 WeakPolarHBondContact O-CB 3.22Å; L942-L946 WeakPolarHBondContact O-CG 3.46Å; L942-L946 PolarHBondContact O-N 2.96Å; L942-V969 HydrophobicContact CD1-CG1 4.15Å; L942-H973 HydrophobicContact CD1-CB 4.04Å; L942-H973 HydrophobicContact CD2-CB 3.94Å; L942-H973 HydrophobicContact CG-CB 4.4Å; L942-T976 HydrophobicContact CD2-CG2 4.26Å; L942-F977 HydrophobicContact CD1-CD2 4.09Å; L942-F977 HydrophobicContact CD2-CB 4.46Å
943S78.8Confident78.4Confident70 Ų7050.4 Ų50.449%0.4928%0.282SS..Hα-helixtrans-68.7-43.7-175.7740000111.3D941 L945 L946 T947D941-S943 VanDerWaalsContact C-N 3.28Å; D941-S943 PolarHBondContact O-N 3.11Å; D941-S943 WeakPolarHBondContact OD1-CA 3.3Å; D941-S943 VanDerWaalsContact OD1-CB 3.3Å; D941-S943 WeakPolarHBondContact OD1-CB 3.46Å; D941-S943 PolarHBondContact OD1-N 3.27Å; D941-S943 PolarHBondContact OD1-OG 2.97Å; D941-S943 PolarHBondContact OD2-OG 3.36Å; S943-L945 VanDerWaalsContact C-N 3.35Å; S943-L945 PolarHBondContact O-N 2.97Å; S943-L946 PolarHBondContact O-N 2.69Å; S943-T947 PolarHBondContact O-N 2.85Å; S943-T947 PolarHBondContact O-OG1 2.94Å; S943-T947 VanDerWaalsContact O-OG1 3.11Å
944V79.6Confident78.1Confident59 Ų5957.7 Ų57.736%0.35832%0.316SS..Hα-helixtrans-61.6-43.7173.9176.50000110.6D941 L946 T947 E948D941-V944 HydrophobicContact CB-CG2 4.32Å; D941-V944 PolarHBondContact OD1-N 3.43Å; V944-L946 PolarHBondContact O-N 3.29Å; V944-T947 PolarHBondContact O-N 3.06Å; V944-E948 HydrophobicContact CG1-CG 4.29Å; V944-E948 WeakPolarHBondContact O-CB 3.39Å; V944-E948 VanDerWaalsContact O-CG 3.27Å; V944-E948 WeakPolarHBondContact O-CG 3.39Å; V944-E948 PolarHBondContact O-N 2.99Å
945L82.3Confident77.9Confident3 Ų357 Ų572%0.01632%0.315CS..Hα-helixtrans-62-43.1177.4-176.964.7000112A932 L933 Y936 L942 S943 T949A932-L945 HydrophobicContact CB-CD1 4.24Å; L933-L945 HydrophobicContact CD2-CD1 3.85Å; L933-L945 HydrophobicContact CD2-CD2 4.36Å; L933-L945 HydrophobicContact CG-CD1 4.21Å; Y936-L945 HydrophobicContact CD1-CD2 3.67Å; Y936-L945 HydrophobicContact CD2-CB 4.38Å; Y936-L945 HydrophobicContact CD2-CD2 4.39Å; Y936-L945 HydrophobicContact CE1-CD2 4.01Å; Y936-L945 HydrophobicContact CG-CB 4.28Å; Y936-L945 HydrophobicContact CG-CD2 3.86Å; L942-L945 PolarHBondContact O-N 3.32Å; S943-L945 VanDerWaalsContact C-N 3.35Å; S943-L945 PolarHBondContact O-N 2.97Å; L945-T949 HydrophobicContact CD1-CG2 4.1Å; L945-T949 WeakPolarHBondContact O-CB 3.46Å; L945-T949 WeakPolarHBondContact O-CG2 3.36Å; L945-T949 PolarHBondContact O-N 3.29Å; L945-T949 VanDerWaalsContact O-N 3.08Å; L945-T949 PolarHBondContact O-OG1 3.22Å
946L81.6Confident77.4Confident29 Ų2959.2 Ų59.215%0.15233%0.329CS..Hα-helixtrans-65.2-43.8179.1-78.2169.4000112L942 S943 V944 T949 A950 F962 F977 K980L942-L946 HydrophobicContact CD2-CD1 4.22Å; L942-L946 HydrophobicContact CG-CD1 3.99Å; L942-L946 HydrophobicContact CG-CG 4.34Å; L942-L946 WeakPolarHBondContact O-CB 3.22Å; L942-L946 WeakPolarHBondContact O-CG 3.46Å; L942-L946 PolarHBondContact O-N 2.96Å; S943-L946 PolarHBondContact O-N 2.69Å; V944-L946 PolarHBondContact O-N 3.29Å; L946-T949 PolarHBondContact O-N 2.97Å; L946-T949 PolarHBondContact O-OG1 3.15Å; L946-A950 WeakPolarHBondContact O-CB 3.36Å; L946-A950 PolarHBondContact O-N 2.63Å; L946-F962 HydrophobicContact CD2-CZ 3.91Å; L946-F977 HydrophobicContact CD2-CD2 3.68Å; L946-F977 HydrophobicContact CD2-CE2 3.62Å; L946-F977 HydrophobicContact CG-CD2 4.34Å; L946-K980 HydrophobicContact CD1-CB 4.38Å; L946-K980 HydrophobicContact CD1-CG 4.23Å; L946-K980 HydrophobicContact CD2-CB 4.49Å
947T81.6Confident76.8Confident102 Ų10265 Ų6563%0.62636%0.36SS*.Hα-helixtrans-60.7-49.7176.3-60.10000111.6S943 V944 T949 A950S943-T947 PolarHBondContact O-N 2.85Å; S943-T947 PolarHBondContact O-OG1 2.94Å; S943-T947 VanDerWaalsContact O-OG1 3.11Å; V944-T947 PolarHBondContact O-N 3.06Å; T947-T949 PolarHBondContact O-N 3.18Å; T947-A950 WeakPolarHBondContact O-CB 3.3Å; T947-A950 PolarHBondContact O-N 2.88Å
948E77.1Confident76.7Confident76 Ų7662.9 Ų62.936%0.35535%0.351SS..Hα-helixtrans-73.1-13.7-177.1-60.6-71.2-165.700113.6H928 A932 V944H928-E948 IonicContact CD2-OE2 3.58Å; H928-E948 IonicContact CE1-OE2 2.6Å; H928-E948 IonicContact NE2-OE2 2.68Å; H928-E948 PolarHBondContact NE2-OE2 3.44Å; A932-E948 HydrophobicContact CB-CB 3.68Å; A932-E948 HydrophobicContact CB-CG 4.25Å; V944-E948 HydrophobicContact CG1-CG 4.29Å; V944-E948 WeakPolarHBondContact O-CB 3.39Å; V944-E948 VanDerWaalsContact O-CG 3.27Å; V944-E948 WeakPolarHBondContact O-CG 3.39Å; V944-E948 PolarHBondContact O-N 2.99Å
949T76.4Confident76.8Confident0 Ų056.9 Ų56.90%033%0.326CS..Hα-helixtrans-104.5-4.4173.9560000114I929 L945 L946 T947 V951 L952 F962 F965I929-T949 HydrophobicContact CG2-CG2 4.02Å; L945-T949 HydrophobicContact CD1-CG2 4.1Å; L945-T949 WeakPolarHBondContact O-CB 3.46Å; L945-T949 WeakPolarHBondContact O-CG2 3.36Å; L945-T949 PolarHBondContact O-N 3.29Å; L945-T949 VanDerWaalsContact O-N 3.08Å; L945-T949 PolarHBondContact O-OG1 3.22Å; L946-T949 PolarHBondContact O-N 2.97Å; L946-T949 PolarHBondContact O-OG1 3.15Å; T947-T949 PolarHBondContact O-N 3.18Å; T949-V951 PolarHBondContact O-N 3.21Å; T949-V951 VanDerWaalsContact O-N 3.15Å; T949-L952 WeakPolarHBondContact O-CB 3.46Å; T949-L952 PolarHBondContact O-N 2.98Å; T949-F962 WeakPolarHBondContact O-CD2 3.24Å; T949-F962 WeakPolarHBondContact O-CE2 3.49Å; T949-F962 WeakPolarHBondContact OG1-CE2 3.35Å; T949-F965 HydrophobicContact CG2-CE2 4.31Å
950A72.2Confident76.7Confident38 Ų3856.9 Ų56.931%0.31433%0.329SS..G310 helixtrans-58.6-28.1-178.900000113.6L946 T947 L952 A953L946-A950 WeakPolarHBondContact O-CB 3.36Å; L946-A950 PolarHBondContact O-N 2.63Å; T947-A950 WeakPolarHBondContact O-CB 3.3Å; T947-A950 PolarHBondContact O-N 2.88Å; A950-L952 PolarHBondContact O-N 2.96Å; A950-A953 WeakPolarHBondContact O-CB 3.43Å; A950-A953 PolarHBondContact O-N 2.87Å
951V72.7Confident76.6Confident90 Ų9055.9 Ų55.955%0.54532%0.324SS..G310 helixtrans-55.5-24.2173.7-173.60000112.5T949 A953T949-V951 PolarHBondContact O-N 3.21Å; T949-V951 VanDerWaalsContact O-N 3.15Å; V951-A953 VanDerWaalsContact C-N 3.34Å
952L73.3Confident76.6Confident5 Ų552.7 Ų52.73%0.02631%0.307CS..G310 helixtrans-87.51.2176.5-55.3176.2000114.2L921 I929 T949 A950 T958 F962 F965L921-L952 HydrophobicContact CD1-CD2 3.99Å; L921-L952 HydrophobicContact CD2-CD2 3.4Å; L921-L952 HydrophobicContact CG-CD2 4.36Å; I929-L952 HydrophobicContact CD1-CD1 3.76Å; I929-L952 HydrophobicContact CD1-CD2 4.04Å; I929-L952 HydrophobicContact CD1-CG 4.01Å; T949-L952 WeakPolarHBondContact O-CB 3.46Å; T949-L952 PolarHBondContact O-N 2.98Å; A950-L952 PolarHBondContact O-N 2.96Å; L952-T958 WeakPolarHBondContact CA-OG1 3.36Å; L952-T958 HydrophobicContact CD2-CG2 4.39Å; L952-T958 PolarHBondContact O-OG1 3.02Å; L952-F962 HydrophobicContact CB-CB 4.19Å; L952-F962 HydrophobicContact CB-CD2 4.06Å; L952-F965 HydrophobicContact CD1-CE2 3.56Å; L952-F965 HydrophobicContact CD1-CZ 3.98Å
953A68.6Low76.3Confident21 Ų2156.2 Ų56.217%0.17432%0.319CS..G310 helixtrans-94.2-12.6168.600000112.1A950 V951 H959 L984 L985A950-A953 WeakPolarHBondContact O-CB 3.43Å; A950-A953 PolarHBondContact O-N 2.87Å; V951-A953 VanDerWaalsContact C-N 3.34Å; A953-H959 PolarHBondContact O-NE2 3.49Å; A953-L984 HydrophobicContact CB-CB 4.48Å; A953-L985 HydrophobicContact CB-CD2 3.79Å
954E72.7Confident76.3Confident157 Ų15753.6 Ų53.673%0.73430%0.303SS*.THydrogen-bonded Turntrans-80.6-38.1-178-61.1-177.9175.600112.8
955D73.4Confident76.3Confident67 Ų6750.9 Ų50.936%0.35829%0.286SS..SBendtrans-97.7118177.3175.95.1000111.6N957 T958 H959D955-N957 PolarHBondContact O-N 3.32Å; D955-N957 VanDerWaalsContact O-N 3.11Å; D955-N957 WeakPolarHBondContact OD1-CB 3.45Å; D955-N957 PolarHBondContact OD1-N 2.87Å; D955-N957 PolarHBondContact OD1-ND2 2.96Å; D955-T958 HydrophobicContact CB-CG2 4.21Å; D955-T958 WeakPolarHBondContact O-CA 3.23Å; D955-T958 PolarHBondContact O-N 2.91Å; D955-T958 PolarHBondContact O-OG1 3.19Å; D955-H959 PolarHBondContact O-CD2 3.41Å; D955-H959 PolarHBondContact O-N 3.01Å
956P70.4Confident76.3Confident95 Ų9551.7 Ų51.762%0.61729%0.29SS*.THydrogen-bonded Turntrans-58.1-24.3178.824.5-34.9000114.5T958P956-T958 PolarHBondContact O-N 3.48Å
957N71.1Confident76.1Confident126 Ų12654.3 Ų54.367%0.67430%0.301SS*.THydrogen-bonded Turntrans-67.5-28.6174-59.4-76.6000111.8D955 S960D955-N957 PolarHBondContact O-N 3.32Å; D955-N957 VanDerWaalsContact O-N 3.11Å; D955-N957 WeakPolarHBondContact OD1-CB 3.45Å; D955-N957 PolarHBondContact OD1-N 2.87Å; D955-N957 PolarHBondContact OD1-ND2 2.96Å; N957-S960 PolarHBondContact O-OG 3.08Å
958T75.6Confident75.8Confident10 Ų1050.6 Ų50.66%0.06128%0.276CS..THydrogen-bonded Turntrans-94.2-10.5-177.467.20000114.4L921 L952 D955 P956 S960 L961 F962L921-T958 HydrophobicContact CD2-CG2 4.01Å; L952-T958 WeakPolarHBondContact CA-OG1 3.36Å; L952-T958 HydrophobicContact CD2-CG2 4.39Å; L952-T958 PolarHBondContact O-OG1 3.02Å; D955-T958 HydrophobicContact CB-CG2 4.21Å; D955-T958 WeakPolarHBondContact O-CA 3.23Å; D955-T958 PolarHBondContact O-N 2.91Å; D955-T958 PolarHBondContact O-OG1 3.19Å; P956-T958 PolarHBondContact O-N 3.48Å; T958-S960 PolarHBondContact O-N 3.26Å; T958-S960 VanDerWaalsContact O-N 3.13Å; T958-L961 WeakPolarHBondContact O-CA 3.26Å; T958-L961 WeakPolarHBondContact O-CB 3.48Å; T958-L961 PolarHBondContact O-N 3.46Å; T958-F962 PolarHBondContact O-N 3.04Å
959H79.6Confident76Confident52 Ų5247.3 Ų47.324%0.24126%0.261CS..Hα-helixtrans-53.7-35175.4-69.5-171.5000113.2A953 D955 L961 F962 R963 L985A953-H959 PolarHBondContact O-NE2 3.49Å; D955-H959 PolarHBondContact O-CD2 3.41Å; D955-H959 PolarHBondContact O-N 3.01Å; H959-L961 VanDerWaalsContact C-N 3.3Å; H959-L961 PolarHBondContact O-N 3.3Å; H959-F962 PolarHBondContact O-N 3.47Å; H959-R963 PolarHBondContact O-N 3.22Å; H959-L985 HydrophobicContact CB-CD1 4.31Å; H959-L985 HydrophobicContact CB-CD2 4.36Å
960S76.9Confident76.3Confident83 Ų8350.5 Ų50.558%0.5827%0.273SS*.Hα-helixtrans-63.9-33.8175.164.90000112.9N957 T958 G964N957-S960 PolarHBondContact O-OG 3.08Å; T958-S960 PolarHBondContact O-N 3.26Å; T958-S960 VanDerWaalsContact O-N 3.13Å; S960-G964 PolarHBondContact O-N 2.72Å; S960-G964 VanDerWaalsContact O-N 3.14Å
961L79.2Confident76.7Confident13 Ų1350.9 Ų50.97%0.06827%0.272CS..Hα-helixtrans-76.2-41.4175.4-59173.9000110.9F913 M917 L921 T958 H959 G964 F965F913-L961 HydrophobicContact CE2-CB 4.48Å; F913-L961 HydrophobicContact CE2-CD2 4Å; F913-L961 WeakPolarHBondContact CZ-O 3.35Å; M917-L961 HydrophobicContact CG-CD2 4.21Å; L921-L961 HydrophobicContact CD2-CD1 4.45Å; L921-L961 HydrophobicContact CG-CD1 4.45Å; T958-L961 WeakPolarHBondContact O-CA 3.26Å; T958-L961 WeakPolarHBondContact O-CB 3.48Å; T958-L961 PolarHBondContact O-N 3.46Å; H959-L961 VanDerWaalsContact C-N 3.3Å; H959-L961 PolarHBondContact O-N 3.3Å; L961-G964 CarbonylContact O-C 3.31Å; L961-G964 VanDerWaalsContact O-CA 3.28Å; L961-G964 WeakPolarHBondContact O-CA 3.43Å; L961-G964 PolarHBondContact O-N 3.47Å; L961-F965 PolarHBondContact O-N 2.86Å
962F80.8Confident77.1Confident0 Ų052.2 Ų52.20%027%0.273CS..Hα-helixtrans-59.9-50.2177.3-169.9-93.6000111.9L946 T949 L952 T958 H959 G964 F965 F977 L984 L985L946-F962 HydrophobicContact CD2-CZ 3.91Å; T949-F962 WeakPolarHBondContact O-CD2 3.24Å; T949-F962 WeakPolarHBondContact O-CE2 3.49Å; T949-F962 WeakPolarHBondContact OG1-CE2 3.35Å; L952-F962 HydrophobicContact CB-CB 4.19Å; L952-F962 HydrophobicContact CB-CD2 4.06Å; T958-F962 PolarHBondContact O-N 3.04Å; H959-F962 PolarHBondContact O-N 3.47Å; F962-G964 PolarHBondContact O-N 2.95Å; F962-F965 WeakPolarHBondContact O-CD2 3.41Å; F962-F965 PolarHBondContact O-N 2.72Å; F962-F977 HydrophobicContact CE1-CZ 4.21Å; F962-F977 HydrophobicContact CZ-CZ 4.41Å; F962-L984 HydrophobicContact CZ-CD1 4.35Å; F962-L985 HydrophobicContact CB-CD1 4.3Å; F962-L985 HydrophobicContact CD1-CD1 3.71Å; F962-L985 HydrophobicContact CD1-CG 4.48Å; F962-L985 HydrophobicContact CG-CD1 4.38Å
963R79.1Confident77.6Confident85 Ų8554 Ų5432%0.32128%0.281SS..Hα-helixtrans-61.3-30.1172.8-66173.472.4-169.76111.9H959 F965 Y966 L985 Q987 G988H959-R963 PolarHBondContact O-N 3.22Å; R963-F965 PolarHBondContact O-N 3.33Å; R963-Y966 WeakPolarHBondContact O-CB 3.38Å; R963-Y966 PolarHBondContact O-N 2.92Å; R963-Y966 VanDerWaalsContact O-N 3.13Å; R963-L985 HydrophobicContact CG-CD1 3.6Å; R963-Q987 PolarHBondContact NE-O 3.18Å; R963-G988 PolarHBondContact NE-O 3.09Å; R963-G988 PolarHBondContact NH2-O 3.25Å
964G77.1Confident78.3Confident14 Ų1454.6 Ų54.614%0.14428%0.279CS..Hα-helixtrans-60.8-20.5172.800000115.4S960 L961 F962 Y966 Q967S960-G964 PolarHBondContact O-N 2.72Å; S960-G964 VanDerWaalsContact O-N 3.14Å; L961-G964 CarbonylContact O-C 3.31Å; L961-G964 VanDerWaalsContact O-CA 3.28Å; L961-G964 WeakPolarHBondContact O-CA 3.43Å; L961-G964 PolarHBondContact O-N 3.47Å; F962-G964 PolarHBondContact O-N 2.95Å; G964-Y966 VanDerWaalsContact C-N 3.28Å; G964-Y966 PolarHBondContact O-N 3.12Å; G964-Q967 WeakPolarHBondContact O-CG 3.43Å; G964-Q967 PolarHBondContact O-NE2 3.41Å
965F80.9Confident78.9Confident2 Ų252 Ų521%0.00927%0.265CS..G310 helixtrans-71.1-21.3173.1-65.3-62.8000113.8F913 M917 I929 L933 T949 L952 L961 F962 R963 Q967 F968 V969 F977F913-F965 AromaticContact CE1-CD1 3.97Å; F913-F965 HydrophobicContact CE1-CD1 3.97Å; F913-F965 AromaticContact CE1-CE1 3.75Å; F913-F965 HydrophobicContact CE1-CE1 3.75Å; F913-F965 HydrophobicContact CE1-CZ 4.42Å; F913-F965 HydrophobicContact CZ-CD1 4.13Å; F913-F965 AromaticContact CZ-CE1 3.99Å; F913-F965 HydrophobicContact CZ-CE1 3.99Å; F913-F965 HydrophobicContact CZ-CZ 4.31Å; M917-F965 HydrophobicContact CE-CE1 4.02Å; M917-F965 HydrophobicContact CE-CZ 3.71Å; M917-F965 HydrophobicContact SD-CE1 3.75Å; M917-F965 HydrophobicContact SD-CZ 3.86Å; I929-F965 HydrophobicContact CG2-CE1 4.36Å; I929-F965 HydrophobicContact CG2-CZ 3.9Å; L933-F965 HydrophobicContact CD1-CE1 4.03Å; L933-F965 HydrophobicContact CD2-CD1 4.35Å; T949-F965 HydrophobicContact CG2-CE2 4.31Å; L952-F965 HydrophobicContact CD1-CE2 3.56Å; L952-F965 HydrophobicContact CD1-CZ 3.98Å; L961-F965 PolarHBondContact O-N 2.86Å; F962-F965 WeakPolarHBondContact O-CD2 3.41Å; F962-F965 PolarHBondContact O-N 2.72Å; R963-F965 PolarHBondContact O-N 3.33Å; F965-Q967 PolarHBondContact O-N 2.94Å; F965-F968 HydrophobicContact CD1-CD2 4.38Å; F965-F968 PolarHBondContact O-N 3.01Å; F965-V969 PolarHBondContact O-N 3.49Å; F965-F977 HydrophobicContact CB-CE1 4.43Å; F965-F977 HydrophobicContact CB-CZ 3.86Å
966Y82.1Confident79.4Confident21 Ų2152 Ų528%0.08227%0.268CS..G310 helixtrans-52.8-30.2-179.8-179.3-97.6000113.3R963 G964 F968 K974 F977 D978 C989 F991 H995R963-Y966 WeakPolarHBondContact O-CB 3.38Å; R963-Y966 PolarHBondContact O-N 2.92Å; R963-Y966 VanDerWaalsContact O-N 3.13Å; G964-Y966 VanDerWaalsContact C-N 3.28Å; G964-Y966 PolarHBondContact O-N 3.12Å; Y966-F968 VanDerWaalsContact C-N 3.26Å; Y966-F968 PolarHBondContact O-N 2.96Å; Y966-K974 HydrophobicContact CE1-CD 4.37Å; Y966-K974 HydrophobicContact CE2-CB 3.99Å; Y966-K974 HydrophobicContact CE2-CD 4.35Å; Y966-K974 HydrophobicContact CE2-CG 4.31Å; Y966-K974 PolarHBondContact O-NZ 3.32Å; Y966-F977 HydrophobicContact CD2-CD1 4.07Å; Y966-D978 HydrophobicContact CE2-CB 4.14Å; Y966-C989 HydrophobicContact CD1-CB 3.95Å; Y966-C989 HydrophobicContact CD2-CB 3.53Å; Y966-C989 HydrophobicContact CE2-CB 4.14Å; Y966-C989 HydrophobicContact CG-CB 3.41Å; Y966-C989 VanDerWaalsContact CG-CB 3.41Å; Y966-F991 WeakPolarHBondContact OH-CA 3.39Å; Y966-F991 WeakPolarHBondContact OH-CD2 3.48Å; Y966-H995 AromaticContact CE1-ND1 3.94Å; Y966-H995 AromaticContact CZ-ND1 3.84Å; Y966-H995 PolarHBondContact OH-ND1 2.93Å
967Q76.7Confident80.1Confident83 Ų8347.4 Ų47.439%0.38824%0.239SC..G310 helixtrans-71.9-16.1177.779.2-164.1-64.100113.9G964 F965G964-Q967 WeakPolarHBondContact O-CG 3.43Å; G964-Q967 PolarHBondContact O-NE2 3.41Å; F965-Q967 PolarHBondContact O-N 2.94Å
968F76.6Confident80.7Confident25 Ų2542.2 Ų42.211%0.1121%0.211CC..THydrogen-bonded Turntrans-110.5-17-178.2-46.8-61.3000114.7L839 A910 F913 F965 Y966L839-F968 HydrophobicContact CB-CD1 3.38Å; L839-F968 HydrophobicContact CB-CE1 3.47Å; L839-F968 VanDerWaalsContact CB-CE1 3.47Å; L839-F968 HydrophobicContact CB-CG 4.02Å; L839-F968 HydrophobicContact CB-CZ 4.18Å; L839-F968 HydrophobicContact CD2-CD1 3.96Å; L839-F968 HydrophobicContact CD2-CD2 3.69Å; L839-F968 HydrophobicContact CD2-CE1 3.94Å; L839-F968 HydrophobicContact CD2-CE2 3.71Å; L839-F968 HydrophobicContact CD2-CG 3.83Å; L839-F968 HydrophobicContact CD2-CZ 3.82Å; L839-F968 HydrophobicContact CG-CD1 4.32Å; L839-F968 HydrophobicContact CG-CE1 4.32Å; A910-F968 HydrophobicContact CB-CE1 3.89Å; A910-F968 HydrophobicContact CB-CZ 4.29Å; F913-F968 HydrophobicContact CB-CZ 4.36Å; F913-F968 HydrophobicContact CD1-CD2 4.5Å; F913-F968 AromaticContact CD1-CE2 3.4Å; F913-F968 HydrophobicContact CD1-CE2 3.4Å; F913-F968 VanDerWaalsContact CD1-CE2 3.4Å; F913-F968 AromaticContact CD1-CZ 3.87Å; F913-F968 HydrophobicContact CD1-CZ 3.87Å; F913-F968 HydrophobicContact CE1-CD2 4.36Å; F913-F968 AromaticContact CE1-CE2 3.6Å; F913-F968 HydrophobicContact CE1-CE2 3.6Å; F913-F968 HydrophobicContact CG-CE2 4.04Å; F913-F968 HydrophobicContact CG-CZ 4.24Å; F913-F968 HydrophobicContact CZ-CE2 4.4Å; F965-F968 HydrophobicContact CD1-CD2 4.38Å; F965-F968 PolarHBondContact O-N 3.01Å; Y966-F968 VanDerWaalsContact C-N 3.26Å; Y966-F968 PolarHBondContact O-N 2.96Å
969V81.5Confident81.2Confident7 Ų745.9 Ų45.94%0.04223%0.227CC..SBendtrans-58.3142172.5174.80000110.7L942 F965 H973 K974 F977L942-V969 HydrophobicContact CD1-CG1 4.15Å; F965-V969 PolarHBondContact O-N 3.49Å; V969-H973 HydrophobicContact CG1-CB 3.64Å; V969-K974 HydrophobicContact CB-CG 4.26Å; V969-K974 HydrophobicContact CG1-CG 4.07Å; V969-K974 WeakPolarHBondContact O-CE 3.38Å; V969-F977 HydrophobicContact CG1-CB 4.13Å; V969-F977 HydrophobicContact CG1-CG 4.47Å; V969-F977 HydrophobicContact CG2-CB 4.33Å; V969-F977 HydrophobicContact CG2-CD1 4.1Å; V969-F977 HydrophobicContact CG2-CD2 3.73Å; V969-F977 HydrophobicContact CG2-CE1 4.35Å; V969-F977 HydrophobicContact CG2-CE2 4.01Å; V969-F977 HydrophobicContact CG2-CG 3.78Å; V969-F977 HydrophobicContact CG2-CZ 4.32Å
970R82Confident81.3Confident67 Ų6747 Ų4725%0.25323%0.231SC..  trans-68.3149.1-179.9-58.7-164.7-156.7-168.1-0.6111.4Y936 K937 D940 H972 H973 K974Y936-R970 HydrophobicContact CE1-CG 4.24Å; Y936-R970 PolarHBondContact O-NH2 2.89Å; Y936-R970 PolarHBondContact OH-N 3.14Å; K937-R970 PolarHBondContact O-NH2 2.76Å; D940-R970 VanDerWaalsContact CG-CD 3.48Å; D940-R970 VanDerWaalsContact CG-NH1 3.27Å; D940-R970 WeakPolarHBondContact OD1-CD 3.35Å; D940-R970 IonicContact OD1-CZ 2.79Å; D940-R970 IonicContact OD1-NE 3.93Å; D940-R970 PolarHBondContact OD1-NE 2.98Å; D940-R970 IonicContact OD1-NH1 3.51Å; D940-R970 IonicContact OD1-NH2 3.25Å; D940-R970 WeakPolarHBondContact OD2-CD 3.32Å; D940-R970 IonicContact OD2-CZ 3.95Å; D940-R970 IonicContact OD2-NE 2.79Å; D940-R970 PolarHBondContact OD2-NE 3.13Å; D940-R970 IonicContact OD2-NH1 3.38Å; D940-R970 PolarHBondContact OD2-NH1 3.41Å; D940-R970 IonicContact OD2-NH2 3.6Å; R970-H972 WeakPolarHBondContact CD-NE2 3.41Å; R970-H972 PolarHBondContact O-N 3.18Å; R970-H973 CarbonylContact O-C 3.57Å; R970-H973 WeakPolarHBondContact O-CA 3.25Å; R970-H973 PolarHBondContact O-N 3.09Å; R970-K974 WeakPolarHBondContact O-CG 3.43Å; R970-K974 PolarHBondContact O-N 3.34Å; R970-K974 VanDerWaalsContact O-N 3.14Å
971P80.6Confident81.5Confident45 Ų4543 Ų4329%0.29220%0.204SC..G310 helixtrans-50.2-52.3-172-29.636.1000114.7H973 K974 S996P971-H973 PolarHBondContact O-N 2.82Å; P971-K974 WeakPolarHBondContact O-CB 3.42Å; P971-K974 PolarHBondContact O-N 3.22Å; P971-S996 CarbonylContact C-O 3.52Å; P971-S996 WeakPolarHBondContact CB-O 3.14Å; P971-S996 VanDerWaalsContact O-CA 3.24Å; P971-S996 WeakPolarHBondContact O-CA 3.37Å; P971-S996 WeakPolarHBondContact O-CB 3.33Å; P971-S996 PolarHBondContact O-OG 3.15Å
972H81.1Confident81.7Confident119 Ų11948 Ų4855%0.55123%0.227SC*.G310 helixtrans-59.2-32.9179.454.8-99.3000112.9D940 R970D940-H972 IonicContact OD1-NE2 3.71Å; D940-H972 IonicContact OD2-NE2 3.75Å; D940-H972 PolarHBondContact OD2-NE2 3.26Å; R970-H972 WeakPolarHBondContact CD-NE2 3.41Å; R970-H972 PolarHBondContact O-N 3.18Å
973H83.7Confident81.7Confident43 Ų4354.2 Ų54.220%0.19926%0.255CS..G310 helixtrans-82-9.8177.2-77.3135.5000114.7Y936 D940 L942 V969 R970 P971 K975 F977Y936-H973 AromaticContact CE2-ND1 3.97Å; Y936-H973 WeakPolarHBondContact OH-CB 3.24Å; Y936-H973 PolarHBondContact OH-ND1 3.18Å; D940-H973 PolarHBondContact O-CE1 3Å; D940-H973 IonicContact OD1-CE1 2.74Å; D940-H973 PolarHBondContact OD1-CE1 3.17Å; D940-H973 IonicContact OD1-ND1 2.73Å; D940-H973 PolarHBondContact OD1-ND1 3.25Å; L942-H973 HydrophobicContact CD1-CB 4.04Å; L942-H973 HydrophobicContact CD2-CB 3.94Å; L942-H973 HydrophobicContact CG-CB 4.4Å; V969-H973 HydrophobicContact CG1-CB 3.64Å; R970-H973 CarbonylContact O-C 3.57Å; R970-H973 WeakPolarHBondContact O-CA 3.25Å; R970-H973 PolarHBondContact O-N 3.09Å; P971-H973 PolarHBondContact O-N 2.82Å; H973-K975 PolarHBondContact O-N 2.95Å; H973-F977 WeakPolarHBondContact O-CB 3.38Å; H973-F977 PolarHBondContact O-N 2.97Å; H973-F977 VanDerWaalsContact O-N 3.12Å
974K84.1Confident81.6Confident32 Ų3254.3 Ų54.314%0.13926%0.262CS..Hα-helixtrans-66.1-32.8-176.2-73.9-166.1179.7-124.70114.5Y966 V969 R970 P971 D978 F991 H995Y966-K974 HydrophobicContact CE1-CD 4.37Å; Y966-K974 HydrophobicContact CE2-CB 3.99Å; Y966-K974 HydrophobicContact CE2-CD 4.35Å; Y966-K974 HydrophobicContact CE2-CG 4.31Å; Y966-K974 PolarHBondContact O-NZ 3.32Å; V969-K974 HydrophobicContact CB-CG 4.26Å; V969-K974 HydrophobicContact CG1-CG 4.07Å; V969-K974 WeakPolarHBondContact O-CE 3.38Å; R970-K974 WeakPolarHBondContact O-CG 3.43Å; R970-K974 PolarHBondContact O-N 3.34Å; R970-K974 VanDerWaalsContact O-N 3.14Å; P971-K974 WeakPolarHBondContact O-CB 3.42Å; P971-K974 PolarHBondContact O-N 3.22Å; K974-D978 WeakPolarHBondContact O-CB 3.47Å; K974-D978 PolarHBondContact O-N 3.32Å; K974-F991 HydrophobicContact CB-CD2 4.04Å; K974-F991 HydrophobicContact CB-CE2 4.05Å; K974-H995 HydrophobicContact CD-CB 4.13Å
975K83.4Confident81.6Confident102 Ų10254.8 Ų54.844%0.44326%0.261SS..Hα-helixtrans-65.8-54179.5-173.4176179.3-79.10110.6H973 F977 D978 E979 F991H973-K975 PolarHBondContact O-N 2.95Å; K975-F977 VanDerWaalsContact C-N 3.29Å; K975-F977 PolarHBondContact O-N 2.69Å; K975-D978 WeakPolarHBondContact O-CB 3.29Å; K975-D978 PolarHBondContact O-N 2.86Å; K975-E979 WeakPolarHBondContact CE-OE1 3.5Å; K975-E979 IonicContact NZ-OE1 3.25Å; K975-E979 PolarHBondContact NZ-OE1 3.14Å; K975-E979 IonicContact NZ-OE2 2.68Å; K975-E979 WeakPolarHBondContact O-CG 3.48Å; K975-E979 PolarHBondContact O-N 3.18Å; K975-F991 HydrophobicContact CB-CD2 4.22Å; K975-F991 HydrophobicContact CB-CE1 4.17Å; K975-F991 HydrophobicContact CB-CE2 3.77Å; K975-F991 HydrophobicContact CB-CZ 3.75Å; K975-F991 HydrophobicContact CD-CE1 4.29Å; K975-F991 HydrophobicContact CD-CZ 4.42Å; K975-F991 HydrophobicContact CG-CD1 4.39Å; K975-F991 HydrophobicContact CG-CE1 4.06Å; K975-F991 HydrophobicContact CG-CZ 4.14Å
976T84Confident81.2Confident67 Ų6757.6 Ų57.641%0.41129%0.291SS..Hα-helixtrans-61.8-34.6179.6-45.20000112.7L942 E979 K980L942-T976 HydrophobicContact CD2-CG2 4.26Å; T976-E979 WeakPolarHBondContact CA-OE2 3.45Å; T976-K980 WeakPolarHBondContact O-CB 3.31Å; T976-K980 PolarHBondContact O-N 2.86Å
977F85.8Confident80.7Confident0 Ų062.1 Ų62.10%031%0.313CS..Hα-helixtrans-70.1-36.2173.5-167.9-86.2000112.8L942 L946 F962 F965 Y966 V969 H973 K975 C981L942-F977 HydrophobicContact CD1-CD2 4.09Å; L942-F977 HydrophobicContact CD2-CB 4.46Å; L946-F977 HydrophobicContact CD2-CD2 3.68Å; L946-F977 HydrophobicContact CD2-CE2 3.62Å; L946-F977 HydrophobicContact CG-CD2 4.34Å; F962-F977 HydrophobicContact CE1-CZ 4.21Å; F962-F977 HydrophobicContact CZ-CZ 4.41Å; F965-F977 HydrophobicContact CB-CE1 4.43Å; F965-F977 HydrophobicContact CB-CZ 3.86Å; Y966-F977 HydrophobicContact CD2-CD1 4.07Å; V969-F977 HydrophobicContact CG1-CB 4.13Å; V969-F977 HydrophobicContact CG1-CG 4.47Å; V969-F977 HydrophobicContact CG2-CB 4.33Å; V969-F977 HydrophobicContact CG2-CD1 4.1Å; V969-F977 HydrophobicContact CG2-CD2 3.73Å; V969-F977 HydrophobicContact CG2-CE1 4.35Å; V969-F977 HydrophobicContact CG2-CE2 4.01Å; V969-F977 HydrophobicContact CG2-CG 3.78Å; V969-F977 HydrophobicContact CG2-CZ 4.32Å; H973-F977 WeakPolarHBondContact O-CB 3.38Å; H973-F977 PolarHBondContact O-N 2.97Å; H973-F977 VanDerWaalsContact O-N 3.12Å; K975-F977 VanDerWaalsContact C-N 3.29Å; K975-F977 PolarHBondContact O-N 2.69Å; F977-C981 WeakPolarHBondContact CE1-SG 3.49Å; F977-C981 WeakPolarHBondContact O-CB 3.43Å; F977-C981 PolarHBondContact O-N 3.06Å; F977-C981 PolarHBondContact O-SG 3.4Å
978D84.3Confident80.5Confident17 Ų1759 Ų599%0.09130%0.302CS..Hα-helixtrans-65.2-46.1175.1-151.366.5000111.4Y966 K974 K975 K980 C981 Q982 C989 G990 F991Y966-D978 HydrophobicContact CE2-CB 4.14Å; K974-D978 WeakPolarHBondContact O-CB 3.47Å; K974-D978 PolarHBondContact O-N 3.32Å; K975-D978 WeakPolarHBondContact O-CB 3.29Å; K975-D978 PolarHBondContact O-N 2.86Å; D978-K980 PolarHBondContact O-N 3.4Å; D978-C981 PolarHBondContact O-N 3.24Å; D978-Q982 PolarHBondContact O-N 2.82Å; D978-C989 VanDerWaalsContact OD1-C 3.25Å; D978-C989 WeakPolarHBondContact OD1-CA 3.37Å; D978-C989 WeakPolarHBondContact OD1-CB 3.38Å; D978-C989 PolarHBondContact OD1-N 3.37Å; D978-G990 PolarHBondContact OD1-N 2.61Å; D978-F991 HydrophobicContact CB-CB 3.6Å; D978-F991 HydrophobicContact CB-CG 4.42Å; D978-F991 PolarHBondContact OD1-N 2.85Å; D978-F991 WeakPolarHBondContact OD2-CB 3.42Å; D978-F991 PolarHBondContact OD2-N 3.3Å; D978-F991 VanDerWaalsContact OD2-N 3.11Å
979E85.4Confident80.6Confident87 Ų8759.2 Ų59.241%0.40731%0.306SS..Hα-helixtrans-58.1-46.7175.7-69.2166157.400110.7K975 T976 Q982 E983K975-E979 WeakPolarHBondContact CE-OE1 3.5Å; K975-E979 IonicContact NZ-OE1 3.25Å; K975-E979 PolarHBondContact NZ-OE1 3.14Å; K975-E979 IonicContact NZ-OE2 2.68Å; K975-E979 WeakPolarHBondContact O-CG 3.48Å; K975-E979 PolarHBondContact O-N 3.18Å; T976-E979 WeakPolarHBondContact CA-OE2 3.45Å; E979-Q982 PolarHBondContact O-N 3.5Å; E979-E983 PolarHBondContact O-N 3.26Å
980K82.3Confident80.3Confident75 Ų7561.2 Ų61.233%0.32633%0.328SS..Hα-helixtrans-69.9-30.9176-77.4-71.4174.4-162.80114.1L946 T976 D978 Q982 E983 L984L946-K980 HydrophobicContact CD1-CB 4.38Å; L946-K980 HydrophobicContact CD1-CG 4.23Å; L946-K980 HydrophobicContact CD2-CB 4.49Å; T976-K980 WeakPolarHBondContact O-CB 3.31Å; T976-K980 PolarHBondContact O-N 2.86Å; D978-K980 PolarHBondContact O-N 3.4Å; K980-Q982 VanDerWaalsContact C-N 3.35Å; K980-E983 WeakPolarHBondContact CD-OE2 3.35Å; K980-E983 WeakPolarHBondContact CE-OE2 3.13Å; K980-E983 IonicContact NZ-OE1 2.73Å; K980-E983 PolarHBondContact NZ-OE1 2.78Å; K980-E983 IonicContact NZ-OE2 2.75Å; K980-E983 PolarHBondContact NZ-OE2 3.14Å; K980-E983 PolarHBondContact O-N 3.37Å; K980-L984 WeakPolarHBondContact O-CB 3.37Å; K980-L984 WeakPolarHBondContact O-CG 3.13Å; K980-L984 PolarHBondContact O-N 2.95Å
981C81.8Confident80.3Confident0 Ų060.4 Ų60.40%033%0.327CS..Hα-helixtrans-66-38.6169.8-72.40000111.8F977 D978 L985 C989F977-C981 WeakPolarHBondContact CE1-SG 3.49Å; F977-C981 WeakPolarHBondContact O-CB 3.43Å; F977-C981 PolarHBondContact O-N 3.06Å; F977-C981 PolarHBondContact O-SG 3.4Å; D978-C981 PolarHBondContact O-N 3.24Å; C981-L985 WeakPolarHBondContact O-CA 3.31Å; C981-L985 VanDerWaalsContact O-CB 3.28Å; C981-L985 WeakPolarHBondContact O-CB 3.31Å; C981-L985 PolarHBondContact O-N 3.13Å; C981-C989 PolarHBondContact SG-SG 3.15Å
982Q82.1Confident80.2Confident118 Ų11863.4 Ų63.455%0.55134%0.335SS*.Hα-helixtrans-69.1-36.9176.9-170.5170-6.200112D978 E979 K980 G986D978-Q982 PolarHBondContact O-N 2.82Å; E979-Q982 PolarHBondContact O-N 3.5Å; K980-Q982 VanDerWaalsContact C-N 3.35Å; Q982-G986 VanDerWaalsContact O-CA 3.25Å; Q982-G986 WeakPolarHBondContact O-CA 3.45Å; Q982-G986 PolarHBondContact O-N 3.35Å; Q982-G986 VanDerWaalsContact O-N 3.09Å
983E82.3Confident79.6Confident129 Ų12963 Ų6360%0.60334%0.343SS*.Hα-helixtrans-66.6-45.4175-170.2-176.8138.900112.8E979 K980E979-E983 PolarHBondContact O-N 3.26Å; K980-E983 WeakPolarHBondContact CD-OE2 3.35Å; K980-E983 WeakPolarHBondContact CE-OE2 3.13Å; K980-E983 IonicContact NZ-OE1 2.73Å; K980-E983 PolarHBondContact NZ-OE1 2.78Å; K980-E983 IonicContact NZ-OE2 2.75Å; K980-E983 PolarHBondContact NZ-OE2 3.14Å; K980-E983 PolarHBondContact O-N 3.37Å
984L76.5Confident78.8Confident87 Ų8765.5 Ų65.546%0.45536%0.355SS..Hα-helixtrans-85.1-31-175.3-66.3172.8000114.1A953 F962 K980A953-L984 HydrophobicContact CB-CB 4.48Å; F962-L984 HydrophobicContact CZ-CD1 4.35Å; K980-L984 WeakPolarHBondContact O-CB 3.37Å; K980-L984 WeakPolarHBondContact O-CG 3.13Å; K980-L984 PolarHBondContact O-N 2.95Å
985L77.4Confident78.4Confident25 Ų2566.5 Ų66.513%0.13136%0.36CS..Hα-helixtrans-119.92.7-171.2-50.1-179.8000113.8A953 H959 F962 R963 C981 Q987A953-L985 HydrophobicContact CB-CD2 3.79Å; H959-L985 HydrophobicContact CB-CD1 4.31Å; H959-L985 HydrophobicContact CB-CD2 4.36Å; F962-L985 HydrophobicContact CB-CD1 4.3Å; F962-L985 HydrophobicContact CD1-CD1 3.71Å; F962-L985 HydrophobicContact CD1-CG 4.48Å; F962-L985 HydrophobicContact CG-CD1 4.38Å; R963-L985 HydrophobicContact CG-CD1 3.6Å; C981-L985 WeakPolarHBondContact O-CA 3.31Å; C981-L985 VanDerWaalsContact O-CB 3.28Å; C981-L985 WeakPolarHBondContact O-CB 3.31Å; C981-L985 PolarHBondContact O-N 3.13Å; L985-Q987 PolarHBondContact O-N 3.32Å
986G70.7Confident77.9Confident61 Ų6163.2 Ų63.263%0.62935%0.35SS*.SBendtrans67.2-2.3-176.700000115.5Q982Q982-G986 VanDerWaalsContact O-CA 3.25Å; Q982-G986 WeakPolarHBondContact O-CA 3.45Å; Q982-G986 PolarHBondContact O-N 3.35Å; Q982-G986 VanDerWaalsContact O-N 3.09Å
987Q72.3Confident77.3Confident116 Ų11663 Ų6354%0.54235%0.346SS..SBendtrans-140.5119.2178.9-63.1-171.25.100111.6R963 L985R963-Q987 PolarHBondContact NE-O 3.18Å; L985-Q987 PolarHBondContact O-N 3.32Å
988G73.7Confident76.4Confident16 Ų1664.4 Ų64.417%0.16536%0.356CS..  trans-62.2165.517200000113.1R963 G990R963-G988 PolarHBondContact NE-O 3.09Å; R963-G988 PolarHBondContact NH2-O 3.25Å; G988-G990 VanDerWaalsContact C-N 3.32Å
989C77.9Confident75.2Confident30 Ų3070.4 Ų70.420%0.20338%0.381CS..  trans-86.2-1.1177.4-610000113.6Y966 D978 C981Y966-C989 HydrophobicContact CD1-CB 3.95Å; Y966-C989 HydrophobicContact CD2-CB 3.53Å; Y966-C989 HydrophobicContact CE2-CB 4.14Å; Y966-C989 HydrophobicContact CG-CB 3.41Å; Y966-C989 VanDerWaalsContact CG-CB 3.41Å; D978-C989 VanDerWaalsContact OD1-C 3.25Å; D978-C989 WeakPolarHBondContact OD1-CA 3.37Å; D978-C989 WeakPolarHBondContact OD1-CB 3.38Å; D978-C989 PolarHBondContact OD1-N 3.37Å; C981-C989 PolarHBondContact SG-SG 3.15Å
990G75.8Confident74.1Confident49 Ų4973.2 Ų73.251%0.50539%0.394SS..  trans93.449.9175.500000112.5D978 G988 H995D978-G990 PolarHBondContact OD1-N 2.61Å; G988-G990 VanDerWaalsContact C-N 3.32Å; G990-H995 PolarHBondContact O-CE1 3.03Å
991F81.2Confident73.4Confident50 Ų5074.1 Ų74.122%0.21940%0.4CS..  trans-64.6141.1175.7-179.1-90.3000113.1Y966 K974 K975 D978 H995 S996Y966-F991 WeakPolarHBondContact OH-CA 3.39Å; Y966-F991 WeakPolarHBondContact OH-CD2 3.48Å; K974-F991 HydrophobicContact CB-CD2 4.04Å; K974-F991 HydrophobicContact CB-CE2 4.05Å; K975-F991 HydrophobicContact CB-CD2 4.22Å; K975-F991 HydrophobicContact CB-CE1 4.17Å; K975-F991 HydrophobicContact CB-CE2 3.77Å; K975-F991 HydrophobicContact CB-CZ 3.75Å; K975-F991 HydrophobicContact CD-CE1 4.29Å; K975-F991 HydrophobicContact CD-CZ 4.42Å; K975-F991 HydrophobicContact CG-CD1 4.39Å; K975-F991 HydrophobicContact CG-CE1 4.06Å; K975-F991 HydrophobicContact CG-CZ 4.14Å; D978-F991 HydrophobicContact CB-CB 3.6Å; D978-F991 HydrophobicContact CB-CG 4.42Å; D978-F991 PolarHBondContact OD1-N 2.85Å; D978-F991 WeakPolarHBondContact OD2-CB 3.42Å; D978-F991 PolarHBondContact OD2-N 3.3Å; D978-F991 VanDerWaalsContact OD2-N 3.11Å; F991-H995 HydrophobicContact CD2-CB 4.04Å; F991-H995 HydrophobicContact CE2-CB 3.97Å; F991-S996 VanDerWaalsContact CE2-OG 3.23Å; F991-S996 WeakPolarHBondContact CE2-OG 3.36Å; F991-S996 WeakPolarHBondContact CZ-OG 3.38Å
992K78.6Confident72.5Confident109 Ų10977.7 Ų77.747%0.47442%0.415SS..  trans-126.7152.8165.6-61-179.5178.7-173.10108.4E994 H995K992-E994 HydrophobicContact CB-CG 3.74Å; K992-E994 HydrophobicContact CD-CG 4.01Å; K992-E994 WeakPolarHBondContact CD-OE1 3.45Å; K992-E994 WeakPolarHBondContact CE-OE1 3.36Å; K992-E994 IonicContact NZ-OE1 2.72Å; K992-E994 PolarHBondContact NZ-OE1 2.88Å; K992-E994 PolarHBondContact O-N 3.01Å; K992-E994 VanDerWaalsContact O-N 3.15Å; K992-H995 PolarHBondContact N-ND1 2.88Å; K992-H995 VanDerWaalsContact O-CB 3.26Å; K992-H995 WeakPolarHBondContact O-CB 3.5Å; K992-H995 PolarHBondContact O-N 2.77Å
993P68.8Low71.5Confident109 Ų10979.3 Ų79.371%0.70842%0.42SS*.G310 helixtrans-53.1-39.9179.1-26.935.2000113.4H995 S996P993-H995 PolarHBondContact O-N 2.94Å; P993-H995 VanDerWaalsContact O-N 3.1Å; P993-S996 PolarHBondContact O-N 3.45Å; P993-S996 VanDerWaalsContact O-N 3.13Å
994E66.7Low70.6Confident97 Ų9775.6 Ų75.645%0.45341%0.412SS..G310 helixtrans-58-20.8174.560.4-179.9-178.800114.1K992 S996 K1002K992-E994 HydrophobicContact CB-CG 3.74Å; K992-E994 HydrophobicContact CD-CG 4.01Å; K992-E994 WeakPolarHBondContact CD-OE1 3.45Å; K992-E994 WeakPolarHBondContact CE-OE1 3.36Å; K992-E994 IonicContact NZ-OE1 2.72Å; K992-E994 PolarHBondContact NZ-OE1 2.88Å; K992-E994 PolarHBondContact O-N 3.01Å; K992-E994 VanDerWaalsContact O-N 3.15Å; E994-S996 VanDerWaalsContact C-N 3.31Å; E994-S996 PolarHBondContact O-N 3.49Å; E994-K1002 WeakPolarHBondContact O-CE 3.46Å; E994-K1002 PolarHBondContact O-NZ 2.72Å
995H75.6Confident69.8Low53 Ų5374.9 Ų74.925%0.24541%0.411CS..G310 helixtrans-71.6-23.4177.8-65.2175.8000113.1Y966 K974 G990 F991 K992 P993Y966-H995 AromaticContact CE1-ND1 3.94Å; Y966-H995 AromaticContact CZ-ND1 3.84Å; Y966-H995 PolarHBondContact OH-ND1 2.93Å; K974-H995 HydrophobicContact CD-CB 4.13Å; G990-H995 PolarHBondContact O-CE1 3.03Å; F991-H995 HydrophobicContact CD2-CB 4.04Å; F991-H995 HydrophobicContact CE2-CB 3.97Å; K992-H995 PolarHBondContact N-ND1 2.88Å; K992-H995 VanDerWaalsContact O-CB 3.26Å; K992-H995 WeakPolarHBondContact O-CB 3.5Å; K992-H995 PolarHBondContact O-N 2.77Å; P993-H995 PolarHBondContact O-N 2.94Å; P993-H995 VanDerWaalsContact O-N 3.1Å
996S73.8Confident69Low32 Ų3279.3 Ų79.322%0.22443%0.433CS..THydrogen-bonded Turntrans-86.7-15.8178.7-81.60000115.9P971 F991 P993 E994P971-S996 CarbonylContact C-O 3.52Å; P971-S996 WeakPolarHBondContact CB-O 3.14Å; P971-S996 VanDerWaalsContact O-CA 3.24Å; P971-S996 WeakPolarHBondContact O-CA 3.37Å; P971-S996 WeakPolarHBondContact O-CB 3.33Å; P971-S996 PolarHBondContact O-OG 3.15Å; F991-S996 VanDerWaalsContact CE2-OG 3.23Å; F991-S996 WeakPolarHBondContact CE2-OG 3.36Å; F991-S996 WeakPolarHBondContact CZ-OG 3.38Å; P993-S996 PolarHBondContact O-N 3.45Å; P993-S996 VanDerWaalsContact O-N 3.13Å; E994-S996 VanDerWaalsContact C-N 3.31Å; E994-S996 PolarHBondContact O-N 3.49Å
997L70.8Confident68.1Low63 Ų6382 Ų8233%0.3343%0.432SS..SBendtrans-71.3142.5178-59.4175.4000112.1E1001 K1002L997-E1001 VanDerWaalsContact CA-OE2 3.31Å; L997-E1001 WeakPolarHBondContact CA-OE2 3.49Å; L997-E1001 HydrophobicContact CB-CB 4.17Å; L997-K1002 HydrophobicContact CB-CG 3.96Å; L997-K1002 WeakPolarHBondContact O-CE 3.43Å; L997-K1002 PolarHBondContact O-NZ 2.75Å; L997-K1002 VanDerWaalsContact O-NZ 3.07Å
998S66.6Low67Low30 Ų3082.5 Ų82.521%0.2144%0.435CS..  trans-68.1172177.278.50000113E1001 K1002S998-E1001 WeakPolarHBondContact CB-OE1 3.28Å; S998-E1001 PolarHBondContact N-OE2 3.01Å; S998-E1001 WeakPolarHBondContact OG-CB 3.42Å; S998-E1001 VanDerWaalsContact OG-CG 3.26Å; S998-E1001 WeakPolarHBondContact OG-CG 3.44Å; S998-E1001 PolarHBondContact OG-N 3.15Å; S998-E1001 PolarHBondContact OG-OE1 2.83Å; S998-E1001 PolarHBondContact OG-OE2 2.91Å; S998-K1002 WeakPolarHBondContact O-CB 3.21Å; S998-K1002 VanDerWaalsContact O-CG 3.27Å; S998-K1002 WeakPolarHBondContact O-CG 3.1Å; S998-K1002 PolarHBondContact O-N 3.21Å
999K58.7Low65.7Low143 Ų14386 Ų8662%0.62245%0.454SS*.Hα-helixtrans-70.2-32.5177.2-83.3-178178.3171.50112.1K1003K999-K1003 PolarHBondContact O-N 3.1Å
1000E62.1Low64Low146 Ų14687.4 Ų87.468%0.68247%0.467SS*.Hα-helixtrans-73.3-46.4173-70.275.9-125.500111.1K1002 K1003 A1004E1000-K1002 VanDerWaalsContact C-N 3.33Å; E1000-K1002 PolarHBondContact O-N 3.02Å; E1000-K1003 CarbonylContact O-C 3.52Å; E1000-K1003 WeakPolarHBondContact O-CB 3.35Å; E1000-K1003 PolarHBondContact O-N 3.16Å; E1000-A1004 PolarHBondContact O-N 2.84Å
1001E68.6Low62.4Low94 Ų9489.9 Ų89.944%0.43947%0.472SS..Hα-helixtrans-58.2-42.5177.6-75.2147.7-135.900112.4L997 S998 K1003 A1004 V1005L997-E1001 VanDerWaalsContact CA-OE2 3.31Å; L997-E1001 WeakPolarHBondContact CA-OE2 3.49Å; L997-E1001 HydrophobicContact CB-CB 4.17Å; S998-E1001 WeakPolarHBondContact CB-OE1 3.28Å; S998-E1001 PolarHBondContact N-OE2 3.01Å; S998-E1001 WeakPolarHBondContact OG-CB 3.42Å; S998-E1001 VanDerWaalsContact OG-CG 3.26Å; S998-E1001 WeakPolarHBondContact OG-CG 3.44Å; S998-E1001 PolarHBondContact OG-N 3.15Å; S998-E1001 PolarHBondContact OG-OE1 2.83Å; S998-E1001 PolarHBondContact OG-OE2 2.91Å; E1001-K1003 VanDerWaalsContact C-N 3.3Å; E1001-K1003 PolarHBondContact O-N 3.43Å; E1001-A1004 WeakPolarHBondContact O-CB 3.37Å; E1001-A1004 PolarHBondContact O-N 3.43Å; E1001-V1005 WeakPolarHBondContact O-CG2 3.48Å; E1001-V1005 PolarHBondContact O-N 2.98Å
1002K63.3Low60.2Low74 Ų7493.6 Ų93.632%0.32249%0.494SS..Hα-helixtrans-61.2-39.3175.1-76.9169.8-179.6167.70112.5E994 L997 S998 E1000 I1006E994-K1002 WeakPolarHBondContact O-CE 3.46Å; E994-K1002 PolarHBondContact O-NZ 2.72Å; L997-K1002 HydrophobicContact CB-CG 3.96Å; L997-K1002 WeakPolarHBondContact O-CE 3.43Å; L997-K1002 PolarHBondContact O-NZ 2.75Å; L997-K1002 VanDerWaalsContact O-NZ 3.07Å; S998-K1002 WeakPolarHBondContact O-CB 3.21Å; S998-K1002 VanDerWaalsContact O-CG 3.27Å; S998-K1002 WeakPolarHBondContact O-CG 3.1Å; S998-K1002 PolarHBondContact O-N 3.21Å; E1000-K1002 VanDerWaalsContact C-N 3.33Å; E1000-K1002 PolarHBondContact O-N 3.02Å; K1002-I1006 WeakPolarHBondContact O-CB 3.29Å; K1002-I1006 WeakPolarHBondContact O-CD1 3.3Å; K1002-I1006 WeakPolarHBondContact O-CG1 3.11Å; K1002-I1006 PolarHBondContact O-N 2.96Å
1003K59.6Low58.2Low152 Ų15293.4 Ų93.466%0.66151%0.506SS*.Hα-helixtrans-69.6-38.2174.8-77.6-174169.6-164.50111.9K999 E1000 E1001 I1006 L1007K999-K1003 PolarHBondContact O-N 3.1Å; E1000-K1003 CarbonylContact O-C 3.52Å; E1000-K1003 WeakPolarHBondContact O-CB 3.35Å; E1000-K1003 PolarHBondContact O-N 3.16Å; E1001-K1003 VanDerWaalsContact C-N 3.3Å; E1001-K1003 PolarHBondContact O-N 3.43Å; K1003-I1006 PolarHBondContact O-N 2.94Å; K1003-L1007 WeakPolarHBondContact O-CB 3.25Å; K1003-L1007 WeakPolarHBondContact O-CD1 3.29Å; K1003-L1007 PolarHBondContact O-N 3.37Å
1004A63.3Low56.6Low52 Ų5297 Ų9743%0.4351%0.513SS..Hα-helixtrans-61.1-52.417500000110.7E1000 E1001 I1006 L1007 Q1008E1000-A1004 PolarHBondContact O-N 2.84Å; E1001-A1004 WeakPolarHBondContact O-CB 3.37Å; E1001-A1004 PolarHBondContact O-N 3.43Å; A1004-I1006 PolarHBondContact O-N 3.43Å; A1004-L1007 PolarHBondContact O-N 3.49Å; A1004-Q1008 WeakPolarHBondContact O-CB 3.39Å; A1004-Q1008 PolarHBondContact O-N 2.79Å
1005V61Low55Low71 Ų7196.4 Ų96.443%0.4353%0.525SS..Hα-helixtrans-56.7-47.6176.2172.50000111.3E1001 L1007 Q1008 T1009E1001-V1005 WeakPolarHBondContact O-CG2 3.48Å; E1001-V1005 PolarHBondContact O-N 2.98Å; V1005-L1007 PolarHBondContact O-N 3.27Å; V1005-Q1008 PolarHBondContact O-N 3.18Å; V1005-Q1008 VanDerWaalsContact O-N 3.16Å; V1005-T1009 PolarHBondContact O-N 3.35Å; V1005-T1009 PolarHBondContact O-OG1 2.96Å
1006I60.6Low52.9Low118 Ų118101 Ų10161%0.60556%0.556SS**Hα-helixtrans-63.7-38.5178.7-70.4166.6000112.1K1002 K1003 A1004 A1010K1002-I1006 WeakPolarHBondContact O-CB 3.29Å; K1002-I1006 WeakPolarHBondContact O-CD1 3.3Å; K1002-I1006 WeakPolarHBondContact O-CG1 3.11Å; K1002-I1006 PolarHBondContact O-N 2.96Å; K1003-I1006 PolarHBondContact O-N 2.94Å; A1004-I1006 PolarHBondContact O-N 3.43Å; I1006-A1010 WeakPolarHBondContact O-CB 3.41Å; I1006-A1010 PolarHBondContact O-N 3.16Å; I1006-A1010 VanDerWaalsContact O-N 3.14Å
1007L50.8Low50.6Low117 Ų117102.2 Ų102.261%0.61357%0.574SS**Hα-helixtrans-65.3-41.3172.6-102.876.9000111.5K1003 A1004 V1005 A1010 V1011K1003-L1007 WeakPolarHBondContact O-CB 3.25Å; K1003-L1007 WeakPolarHBondContact O-CD1 3.29Å; K1003-L1007 PolarHBondContact O-N 3.37Å; A1004-L1007 PolarHBondContact O-N 3.49Å; V1005-L1007 PolarHBondContact O-N 3.27Å; L1007-A1010 WeakPolarHBondContact O-CB 3.35Å; L1007-A1010 PolarHBondContact O-N 3.11Å; L1007-A1010 VanDerWaalsContact O-N 3.13Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; L1007-V1011 PolarHBondContact O-N 3.2Å
1008Q50.3Low48.4Very low128 Ų128105.4 Ų105.460%0.59860%0.596SS**Hα-helixtrans-65-46.6-177.9-143.5155.12.800110.6A1004 V1005 A1010 V1011 D1012A1004-Q1008 WeakPolarHBondContact O-CB 3.39Å; A1004-Q1008 PolarHBondContact O-N 2.79Å; V1005-Q1008 PolarHBondContact O-N 3.18Å; V1005-Q1008 VanDerWaalsContact O-N 3.16Å; Q1008-A1010 PolarHBondContact O-N 2.99Å; Q1008-V1011 PolarHBondContact O-N 3.03Å; Q1008-D1012 PolarHBondContact O-N 3.38Å; Q1008-D1012 VanDerWaalsContact O-N 3.09Å
1009T46.7Very low46.4Very low90 Ų90112 Ų11255%0.55263%0.629SS**Hα-helixtrans-63.3-24.5173-44.40000113.2V1005 C1013V1005-T1009 PolarHBondContact O-N 3.35Å; V1005-T1009 PolarHBondContact O-OG1 2.96Å; T1009-C1013 PolarHBondContact O-SG 2.88Å
1010A41.9Very low44.8Very low59 Ų59111 Ų11149%0.48864%0.64SS.*Hα-helixtrans-81.9-33.1174.700000113.2I1006 L1007 Q1008 C1013I1006-A1010 WeakPolarHBondContact O-CB 3.41Å; I1006-A1010 PolarHBondContact O-N 3.16Å; I1006-A1010 VanDerWaalsContact O-N 3.14Å; L1007-A1010 WeakPolarHBondContact O-CB 3.35Å; L1007-A1010 PolarHBondContact O-N 3.11Å; L1007-A1010 VanDerWaalsContact O-N 3.13Å; Q1008-A1010 PolarHBondContact O-N 2.99Å; A1010-C1013 PolarHBondContact O-N 3.33Å
1011V41.2Very low42.9Very low101 Ų101108.4 Ų108.461%0.61264%0.637SS**Hα-helixtrans-73.4-39.3178.6168.40000111.5L1007 Q1008 C1013 Q1014L1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; L1007-V1011 PolarHBondContact O-N 3.2Å; Q1008-V1011 PolarHBondContact O-N 3.03Å; V1011-C1013 PolarHBondContact O-N 2.84Å; V1011-Q1014 PolarHBondContact O-N 3.46Å
1012D35.9Very low40.8Very low128 Ų128115.4 Ų115.468%0.68466%0.66SS**THydrogen-bonded Turntrans-62.5-15.2176.1-67.4-26.2000113Q1008Q1008-D1012 PolarHBondContact O-N 3.38Å; Q1008-D1012 VanDerWaalsContact O-N 3.09Å
1013C36.1Very low39Very low105 Ų105116.7 Ų116.771%0.70968%0.678SS**THydrogen-bonded Turntrans-89.21.6178.4-67.50000115.3T1009 A1010 V1011T1009-C1013 PolarHBondContact O-SG 2.88Å; A1010-C1013 PolarHBondContact O-N 3.33Å; V1011-C1013 PolarHBondContact O-N 2.84Å
1014Q35.4Very low37.4Very low183 Ų183115.6 Ų115.686%0.85568%0.684SS**SBendtrans-121.914.5-177.8-70-163.9-20.300115.5V1011V1011-Q1014 PolarHBondContact O-N 3.46Å
1015A31.9Very low35.5Very low86 Ų86119.2 Ų119.271%0.71171%0.705SS**  trans-12570.4-177.500000114.2
1016V31.4Very low33.8Very low148 Ų148118.5 Ų118.590%0.89771%0.712SS**  trans-174.8143.9147.2139.90000108.2
1017G26.4Very low32.3Very low59 Ų59121.9 Ų121.961%0.60873%0.725SS**  trans-109.4171.5-172.300000116
1018T24.8Very low31Very low130 Ų130123.5 Ų123.580%0.79873%0.734SS**  trans41.5132.7136.8-23.10000121
1019L25Very low29.8Very low169 Ų169123.2 Ų123.289%0.88574%0.736SS**  trans69.7117.6169.2-61.3141.4000115
1020S23.8Very low28.7Very low122 Ų122123.3 Ų123.385%0.85374%0.737SS**  -168.7-171.560.8-168.30000112
1021S23.6Very low27.9Very low91 Ų91127.8 Ų127.864%0.63675%0.748SS**  trans-121.7165.3-16973.60000115.1
1022R24.6Very low27.2Very low241 Ų241130.3 Ų130.391%0.90975%0.753SS**  trans78.3143.6169.8-63.5173.1169.7174-3.9114.9
1023S23.8Very low27Very low101 Ų101131 Ų13171%0.70676%0.756SS**  cis-143.7157.834.957.40000116.2
1024T26.7Very low26.5Very low128 Ų128131.5 Ų131.579%0.78575%0.751SS**  trans31.8141.6148.249.50000121.4
1025C23.5Very low25.9Very low129 Ų129133.6 Ų133.687%0.87275%0.751SS**  cis-160.8159.18.5-141.10000108.6
1026G25.6Very low25.6Very low56 Ų56133.4 Ų133.458%0.57776%0.758SS**  cis161.1162.7-4.600000110.6
1027Q28.3Very low25.3Very low189 Ų189130.3 Ų130.388%0.88376%0.756SS**  trans64.7143.2173.1-76.1172.9-19.800115.6
1028L23.8Very low25.3Very low151 Ų151137.6 Ų137.679%0.79177%0.765SS**  cis-154.4164-1.8-87.5145.4000105.8
1029D24.7Very low25.4Very low121 Ų121138.7 Ų138.765%0.64776%0.761SS**  cis-171.8-174.3-17.3-176.734.8000109.4
1030T23.6Very low25.4Very low92 Ų92138.1 Ų138.156%0.56476%0.758SS**  trans30.5113.2152.1380000120.5
1031Q26.5Very low25.4Very low153 Ų153136.4 Ų136.472%0.71575%0.746SS**  74.2139.382.5-78.7-165.73400116.4
1032Q26.7Very low25.5Very low155 Ų155139.8 Ų139.872%0.72475%0.752SS**  trans64.3147166.9-56.3166.645.800112.9
1033L30Very low25.5Very low143 Ų143136.9 Ų136.975%0.74975%0.749SS**  cis-139.8142.828.8-71157.2000109.2
1034N25.9Very low25.6Very low115 Ų115135.6 Ų135.662%0.61575%0.752SS**  69.611364.4-129.5-31000113.9
1035R24.3Very low25.5Very low226 Ų226137.8 Ų137.885%0.85376%0.757SS**  trans71.5146.8167.8-50.8150.2-167.5-165.2-0.2114.6
1036G23.9Very low25.7Very low82 Ų82143.4 Ų143.485%0.84576%0.76SS**  cis133.2130.61.300000110.8
1037G25.8Very low25.7Very low84 Ų84145.1 Ų145.187%0.86677%0.769SS**  trans-168.7132.2-179.700000112
1038R26.4Very low25.5Very low211 Ų211140.5 Ų140.580%0.79676%0.763SS**  trans-113.5159.5172.7-63-179.8172.1-170.4-1.1109.6
1039H26.9Very low25.8Very low153 Ų153139.8 Ų139.871%0.70877%0.768SS**  trans69.1161162.7-49-57.2000113.8
1040L24.2Very low26.1Very low157 Ų157139.1 Ų139.182%0.82277%0.773SS**  cis-128.1170.714-102.296.9000114.6
1041S24.8Very low26.9Very low87 Ų87138.7 Ų138.761%0.60879%0.787SS**  trans-22.8154.1157.457.40000117.5
1042Q26.2Very low27.5Very low162 Ų162134.3 Ų134.376%0.75777%0.772SS**  -159.9147.565-83.4178.6-17.300117.1
1043Q24.2Very low28.2Very low180 Ų180133.3 Ų133.384%0.84177%0.772SS**  trans36.4121.9139.9-63.2177.2-30.400122.8
1044G24.7Very low28.7Very low74 Ų74133.6 Ų133.676%0.76377%0.769SS**  trans91.3164.3139.500000117.2
1045L24.4Very low29.4Very low173 Ų173134.6 Ų134.691%0.90677%0.768SS**  cis-156.8160.2-12.4-121.6169.6000109.2
1046R29.3Very low30.6Very low247 Ų247127.3 Ų127.393%0.93275%0.752SS**  trans-78.6131-178.3-73177.6172.4171.1-3.7112.7
1047A24.7Very low32.1Very low92 Ų92129.4 Ų129.476%0.7674%0.74SS**  trans-148131.5148.400000106.9
1048A25Very low33.5Very low93 Ų93130.2 Ų130.277%0.76972%0.723SS**  cis79.8127.44500000112.5
1049P29.8Very low35.3Very low136 Ų136123 Ų12388%0.88370%0.698SS**  trans-90.3145.5-164.1119.5000113.1
1050S29.8Very low37.3Very low107 Ų107118.6 Ų118.675%0.74869%0.689SS**  trans-104.5119.8174.453.90000111.8
1051G41.4Very low39.7Very low83 Ų83113.5 Ų113.586%0.85667%0.669SS**  trans-96.5118.1159.300000109.7
1052S38.8Very low42.5Very low60 Ų60109.6 Ų109.642%0.4264%0.641SS.*  trans-157.410.4-174.6550000117.4H1054 K1055 S1056S1052-H1054 PolarHBondContact O-N 2.92Å; S1052-K1055 WeakPolarHBondContact O-CA 3.49Å; S1052-K1055 WeakPolarHBondContact O-CB 3.38Å; S1052-K1055 PolarHBondContact O-N 2.78Å; S1052-S1056 PolarHBondContact O-N 2.98Å
1053D41.1Very low45Very low135 Ų135104.2 Ų104.272%0.72262%0.617SS**Hα-helixtrans-63-41.3-168-60.4-32.8000113.6K1055 S1056D1053-K1055 PolarHBondContact O-N 2.88Å; D1053-K1055 VanDerWaalsContact O-N 3.16Å; D1053-S1056 WeakPolarHBondContact O-CA 3.07Å; D1053-S1056 WeakPolarHBondContact O-CB 3.45Å; D1053-S1056 PolarHBondContact O-N 3.4Å
1054H41.1Very low47.7Very low148 Ų14898.2 Ų98.269%0.68560%0.599SS**Hα-helixtrans-72.5-7.2176.6-148.734.1000114.1S1052 E1057 I1058S1052-H1054 PolarHBondContact O-N 2.92Å; H1054-E1057 IonicContact CE1-OE2 3.25Å; H1054-E1057 IonicContact ND1-OE2 3.07Å; H1054-E1057 PolarHBondContact ND1-OE2 3.01Å; H1054-I1058 WeakPolarHBondContact O-CD1 3.5Å
1055K40.1Very low50.4Low137 Ų13797.2 Ų97.260%0.59658%0.576SS**Hα-helixtrans-88-24.5164.6-68.8-175.6177.1175.20112S1052 D1053 H1059S1052-K1055 WeakPolarHBondContact O-CA 3.49Å; S1052-K1055 WeakPolarHBondContact O-CB 3.38Å; S1052-K1055 PolarHBondContact O-N 2.78Å; D1053-K1055 PolarHBondContact O-N 2.88Å; D1053-K1055 VanDerWaalsContact O-N 3.16Å; K1055-H1059 WeakPolarHBondContact O-CB 3.49Å; K1055-H1059 PolarHBondContact O-CD2 3.31Å; K1055-H1059 VanDerWaalsContact O-CD2 3.31Å; K1055-H1059 PolarHBondContact O-N 3.21Å; K1055-H1059 PolarHBondContact O-ND1 3.41Å
1056S49.1Very low53.2Low73 Ų7389 Ų8951%0.5153%0.533SS..Hα-helixtrans-60.3-47.6179.2-158.80000111.1S1052 D1053 H1059 A1060S1052-S1056 PolarHBondContact O-N 2.98Å; D1053-S1056 WeakPolarHBondContact O-CA 3.07Å; D1053-S1056 WeakPolarHBondContact O-CB 3.45Å; D1053-S1056 PolarHBondContact O-N 3.4Å; S1056-H1059 PolarHBondContact O-N 3.31Å; S1056-A1060 WeakPolarHBondContact O-CB 3.37Å; S1056-A1060 PolarHBondContact O-N 3.07Å
1057E55.5Low55.7Low126 Ų12683 Ų8359%0.58951%0.513SS*.Hα-helixtrans-65.1-47.2-178.6-60.3173.7123.400112.6H1054 H1059 A1060 A1061H1054-E1057 IonicContact CE1-OE2 3.25Å; H1054-E1057 IonicContact ND1-OE2 3.07Å; H1054-E1057 PolarHBondContact ND1-OE2 3.01Å; E1057-H1059 VanDerWaalsContact C-N 3.29Å; E1057-H1059 PolarHBondContact O-N 3.38Å; E1057-A1060 PolarHBondContact O-N 2.95Å; E1057-A1060 VanDerWaalsContact O-N 3.15Å; E1057-A1061 PolarHBondContact O-N 2.71Å
1058I55.7Low58.5Low101 Ų10186.8 Ų86.852%0.51852%0.515SS..Hα-helixtrans-61-40.3177.8-64170.5000110.8H1054 F1062H1054-I1058 WeakPolarHBondContact O-CD1 3.5Å; I1058-F1062 PolarHBondContact O-N 3.39Å
1059H64.3Low61.2Low59 Ų5984 Ų8427%0.27349%0.492SS..Hα-helixtrans-67.7-44.2174.2-63.4173.3000111.3K1055 S1056 E1057 A1061 F1062 L1063 F1118K1055-H1059 WeakPolarHBondContact O-CB 3.49Å; K1055-H1059 PolarHBondContact O-CD2 3.31Å; K1055-H1059 VanDerWaalsContact O-CD2 3.31Å; K1055-H1059 PolarHBondContact O-N 3.21Å; K1055-H1059 PolarHBondContact O-ND1 3.41Å; S1056-H1059 PolarHBondContact O-N 3.31Å; E1057-H1059 VanDerWaalsContact C-N 3.29Å; E1057-H1059 PolarHBondContact O-N 3.38Å; H1059-A1061 VanDerWaalsContact C-N 3.34Å; H1059-A1061 PolarHBondContact O-N 3.05Å; H1059-F1062 PolarHBondContact O-N 3.15Å; H1059-L1063 WeakPolarHBondContact O-CB 3.33Å; H1059-L1063 VanDerWaalsContact O-CG 3.27Å; H1059-L1063 WeakPolarHBondContact O-CG 3.29Å; H1059-L1063 PolarHBondContact O-N 2.92Å; H1059-F1118 HydrophobicContact CB-CE1 4.26Å; H1059-F1118 HydrophobicContact CB-CZ 4.31Å; H1059-F1118 AromaticContact CD2-CE1 3.61Å; H1059-F1118 AromaticContact CD2-CZ 3.68Å; H1059-F1118 AromaticContact CG-CE1 3.72Å; H1059-F1118 AromaticContact NE2-CE1 3.93Å
1060A69.5Low63.8Low61 Ų6178.5 Ų78.550%0.50446%0.455SS..Hα-helixtrans-60.5-42.8-179.100000112.1S1056 E1057 L1063 A1064S1056-A1060 WeakPolarHBondContact O-CB 3.37Å; S1056-A1060 PolarHBondContact O-N 3.07Å; E1057-A1060 PolarHBondContact O-N 2.95Å; E1057-A1060 VanDerWaalsContact O-N 3.15Å; A1060-L1063 PolarHBondContact O-N 3.35Å; A1060-A1064 PolarHBondContact O-N 3.38Å
1061A74.9Confident66.3Low49 Ų4974.4 Ų74.441%0.40543%0.43SS..Hα-helixtrans-60.7-52.8174.400000111.8E1057 H1059 L1063 A1064 D1065E1057-A1061 PolarHBondContact O-N 2.71Å; H1059-A1061 VanDerWaalsContact C-N 3.34Å; H1059-A1061 PolarHBondContact O-N 3.05Å; A1061-L1063 VanDerWaalsContact C-N 3.25Å; A1061-L1063 PolarHBondContact O-N 2.88Å; A1061-A1064 WeakPolarHBondContact O-CB 3.41Å; A1061-A1064 PolarHBondContact O-N 2.99Å; A1061-D1065 VanDerWaalsContact O-CG 3.25Å; A1061-D1065 PolarHBondContact O-N 2.84Å
1062F83.1Confident68Low6 Ų675.8 Ų75.83%0.02642%0.424CS..Hα-helixtrans-58-36.7177.5178-100.5000112.7I1058 H1059 D1065 V1066 F1102 L1111 R1114 F1115 F1118I1058-F1062 PolarHBondContact O-N 3.39Å; H1059-F1062 PolarHBondContact O-N 3.15Å; F1062-D1065 PolarHBondContact O-N 3.14Å; F1062-V1066 HydrophobicContact CD1-CG2 4.08Å; F1062-V1066 HydrophobicContact CD2-CG2 4.27Å; F1062-V1066 HydrophobicContact CE1-CG2 3.65Å; F1062-V1066 HydrophobicContact CE2-CG2 3.85Å; F1062-V1066 HydrophobicContact CG-CG2 4.38Å; F1062-V1066 HydrophobicContact CZ-CG2 3.52Å; F1062-V1066 WeakPolarHBondContact O-CB 3.37Å; F1062-V1066 VanDerWaalsContact O-CG2 3.24Å; F1062-V1066 WeakPolarHBondContact O-CG2 3.4Å; F1062-V1066 PolarHBondContact O-N 3.28Å; F1062-F1102 HydrophobicContact CZ-CZ 4.35Å; F1062-L1111 HydrophobicContact CD2-CD2 4.14Å; F1062-L1111 HydrophobicContact CE2-CB 4.12Å; F1062-L1111 HydrophobicContact CE2-CD2 3.89Å; F1062-L1111 WeakPolarHBondContact CE2-O 3.13Å; F1062-R1114 HydrophobicContact CD2-CB 3.85Å; F1062-R1114 HydrophobicContact CE2-CB 3.74Å; F1062-F1115 HydrophobicContact CE1-CD2 4.05Å; F1062-F1115 HydrophobicContact CZ-CB 4.04Å; F1062-F1115 AromaticContact CZ-CD2 3.98Å; F1062-F1115 HydrophobicContact CZ-CD2 3.98Å; F1062-F1118 HydrophobicContact CD1-CD2 4.29Å; F1062-F1118 AromaticContact CD1-CE2 3.26Å; F1062-F1118 HydrophobicContact CD1-CE2 3.26Å; F1062-F1118 AromaticContact CD1-CZ 3.56Å; F1062-F1118 HydrophobicContact CD1-CZ 3.56Å; F1062-F1118 HydrophobicContact CE1-CD2 4.06Å; F1062-F1118 AromaticContact CE1-CE2 3.45Å; F1062-F1118 HydrophobicContact CE1-CE2 3.45Å; F1062-F1118 VanDerWaalsContact CE1-CE2 3.45Å; F1062-F1118 HydrophobicContact CE1-CZ 4.11Å; F1062-F1118 AromaticContact CG-CE2 3.93Å; F1062-F1118 HydrophobicContact CG-CE2 3.93Å; F1062-F1118 HydrophobicContact CG-CZ 4.27Å; F1062-F1118 HydrophobicContact CZ-CE2 4.26Å
1063L79.4Confident70Confident48 Ų4881 Ų8125%0.25144%0.441SS..Hα-helixtrans-75.1-20.2177.2-64.9-171.5000114.1H1059 A1060 A1061 K1067 F1079H1059-L1063 WeakPolarHBondContact O-CB 3.33Å; H1059-L1063 VanDerWaalsContact O-CG 3.27Å; H1059-L1063 WeakPolarHBondContact O-CG 3.29Å; H1059-L1063 PolarHBondContact O-N 2.92Å; A1060-L1063 PolarHBondContact O-N 3.35Å; A1061-L1063 VanDerWaalsContact C-N 3.25Å; A1061-L1063 PolarHBondContact O-N 2.88Å; L1063-K1067 WeakPolarHBondContact O-CB 3.27Å; L1063-K1067 WeakPolarHBondContact O-CD 3.48Å; L1063-K1067 VanDerWaalsContact O-CG 3.24Å; L1063-K1067 WeakPolarHBondContact O-CG 3.01Å; L1063-K1067 PolarHBondContact O-N 3.24Å; L1063-F1079 HydrophobicContact CB-CZ 4.37Å; L1063-F1079 HydrophobicContact CD1-CE1 3.7Å; L1063-F1079 HydrophobicContact CD1-CZ 4.04Å; L1063-F1079 HydrophobicContact CD2-CE1 3.44Å; L1063-F1079 VanDerWaalsContact CD2-CE1 3.44Å; L1063-F1079 HydrophobicContact CD2-CZ 3.68Å; L1063-F1079 HydrophobicContact CG-CE1 4.11Å; L1063-F1079 HydrophobicContact CG-CZ 4.22Å
1064A79.4Confident72.1Confident55 Ų5578 Ų7846%0.45542%0.422SS..Hα-helixtrans-73.2-51.3167.200000110A1060 A1061 V1066 K1067 Q1068A1060-A1064 PolarHBondContact O-N 3.38Å; A1061-A1064 WeakPolarHBondContact O-CB 3.41Å; A1061-A1064 PolarHBondContact O-N 2.99Å; A1064-V1066 VanDerWaalsContact C-N 3.35Å; A1064-V1066 PolarHBondContact O-N 3.39Å; A1064-K1067 PolarHBondContact O-N 2.67Å; A1064-K1067 VanDerWaalsContact O-N 3.09Å; A1064-Q1068 PolarHBondContact O-N 3.23Å
1065D81.6Confident74.2Confident53 Ų5371.1 Ų71.128%0.28339%0.391SS..Hα-helixtrans-56.9-46-179.8-55.4-24.9000111.7A1061 F1062 K1067 Q1068 A1069 L1111 R1114A1061-D1065 VanDerWaalsContact O-CG 3.25Å; A1061-D1065 PolarHBondContact O-N 2.84Å; F1062-D1065 PolarHBondContact O-N 3.14Å; D1065-K1067 PolarHBondContact O-N 3.44Å; D1065-Q1068 PolarHBondContact O-N 2.82Å; D1065-A1069 VanDerWaalsContact O-CB 3.27Å; D1065-A1069 WeakPolarHBondContact O-CB 3.29Å; D1065-A1069 PolarHBondContact O-N 2.91Å; D1065-L1111 HydrophobicContact CB-CD2 3.98Å; D1065-R1114 IonicContact OD2-CZ 2.73Å; D1065-R1114 IonicContact OD2-NH1 3.55Å; D1065-R1114 PolarHBondContact OD2-NH1 2.88Å; D1065-R1114 IonicContact OD2-NH2 2.64Å; D1065-R1114 PolarHBondContact OD2-NH2 2.67Å
1066V83.8Confident76.4Confident0 Ų067 Ų670%038%0.383CS..Hα-helixtrans-63.2-38.5177.1167.60000112.5F1062 A1064 A1069 L1070 L1078 F1102 L1111F1062-V1066 HydrophobicContact CD1-CG2 4.08Å; F1062-V1066 HydrophobicContact CD2-CG2 4.27Å; F1062-V1066 HydrophobicContact CE1-CG2 3.65Å; F1062-V1066 HydrophobicContact CE2-CG2 3.85Å; F1062-V1066 HydrophobicContact CG-CG2 4.38Å; F1062-V1066 HydrophobicContact CZ-CG2 3.52Å; F1062-V1066 WeakPolarHBondContact O-CB 3.37Å; F1062-V1066 VanDerWaalsContact O-CG2 3.24Å; F1062-V1066 WeakPolarHBondContact O-CG2 3.4Å; F1062-V1066 PolarHBondContact O-N 3.28Å; A1064-V1066 VanDerWaalsContact C-N 3.35Å; A1064-V1066 PolarHBondContact O-N 3.39Å; V1066-A1069 PolarHBondContact O-N 2.86Å; V1066-L1070 HydrophobicContact CG1-CD1 4.07Å; V1066-L1070 HydrophobicContact CG1-CG 4.41Å; V1066-L1070 WeakPolarHBondContact O-CB 3.09Å; V1066-L1070 PolarHBondContact O-N 3.43Å; V1066-L1078 HydrophobicContact CG1-CD2 3.68Å; V1066-F1102 HydrophobicContact CG1-CZ 4.48Å; V1066-F1102 HydrophobicContact CG2-CE1 4.13Å; V1066-F1102 HydrophobicContact CG2-CZ 4Å; V1066-L1111 HydrophobicContact CG2-CD1 4.13Å; V1066-L1111 HydrophobicContact CG2-CD2 4.25Å
1067K81.4Confident78.2Confident120 Ų12068.3 Ų68.352%0.52238%0.381SS..Hα-helixtrans-69.1-35.2176.9-79.1176.2177.9-177.60112L1063 A1064 D1065 G1071L1063-K1067 WeakPolarHBondContact O-CB 3.27Å; L1063-K1067 WeakPolarHBondContact O-CD 3.48Å; L1063-K1067 VanDerWaalsContact O-CG 3.24Å; L1063-K1067 WeakPolarHBondContact O-CG 3.01Å; L1063-K1067 PolarHBondContact O-N 3.24Å; A1064-K1067 PolarHBondContact O-N 2.67Å; A1064-K1067 VanDerWaalsContact O-N 3.09Å; D1065-K1067 PolarHBondContact O-N 3.44Å; K1067-G1071 WeakPolarHBondContact O-CA 3.45Å; K1067-G1071 PolarHBondContact O-N 3.28Å; K1067-G1071 VanDerWaalsContact O-N 3.13Å
1068Q83.9Confident79.7Confident172 Ų17262.3 Ų62.380%0.80435%0.353SS*.Hα-helixtrans-70.9-39.3175.3-176.2172.7-16.200111.9A1064 D1065A1064-Q1068 PolarHBondContact O-N 3.23Å; D1065-Q1068 PolarHBondContact O-N 2.82Å
1069A82.3Confident81.2Confident35 Ų3560.8 Ų60.829%0.28934%0.342SS..Hα-helixtrans-82.7-37.8-175.600000114.8D1065 V1066 L1111D1065-A1069 VanDerWaalsContact O-CB 3.27Å; D1065-A1069 WeakPolarHBondContact O-CB 3.29Å; D1065-A1069 PolarHBondContact O-N 2.91Å; V1066-A1069 PolarHBondContact O-N 2.86Å; A1069-L1111 HydrophobicContact CB-CD1 3.64Å
1070L82.9Confident82.2Confident20 Ų2065 Ų6511%0.10536%0.362CS..Hα-helixtrans-100.1-17.2-178.7-60-171.2000114.1V1066 K1074 L1101 F1102 N1108V1066-L1070 HydrophobicContact CG1-CD1 4.07Å; V1066-L1070 HydrophobicContact CG1-CG 4.41Å; V1066-L1070 WeakPolarHBondContact O-CB 3.09Å; V1066-L1070 PolarHBondContact O-N 3.43Å; L1070-K1074 HydrophobicContact CB-CB 3.98Å; L1070-L1101 HydrophobicContact CD1-CB 4.2Å; L1070-L1101 WeakPolarHBondContact CD2-O 2.86Å; L1070-F1102 HydrophobicContact CD1-CD1 4.2Å; L1070-F1102 HydrophobicContact CD1-CE1 3.7Å; L1070-F1102 HydrophobicContact CD1-CZ 4.23Å; L1070-F1102 HydrophobicContact CD2-CD1 4.23Å; L1070-F1102 HydrophobicContact CD2-CE1 4.36Å; L1070-F1102 HydrophobicContact CG-CE1 4.14Å; L1070-N1108 WeakPolarHBondContact CD2-ND2 3.48Å
1071G82.1Confident83Confident21 Ų2162.9 Ų62.922%0.21635%0.345CS..Hα-helixtrans74.9177.8-171.700000114K1067 S1075K1067-G1071 WeakPolarHBondContact O-CA 3.45Å; K1067-G1071 PolarHBondContact O-N 3.28Å; K1067-G1071 VanDerWaalsContact O-N 3.13Å; G1071-S1075 VanDerWaalsContact O-CB 3.24Å; G1071-S1075 WeakPolarHBondContact O-CB 3.43Å; G1071-S1075 PolarHBondContact O-N 2.85Å; G1071-S1075 VanDerWaalsContact O-N 3.14Å; G1071-S1075 PolarHBondContact O-OG 3.23Å
1072P78Confident83.5Confident112 Ų11262.3 Ų62.373%0.72734%0.335SS*.Hα-helixtrans-68.5-41-167.624.8-33.4000113.9S1075 A1076P1072-S1075 PolarHBondContact O-OG 3.2Å; P1072-A1076 WeakPolarHBondContact O-CB 3.26Å; P1072-A1076 PolarHBondContact O-N 2.94Å
1073E81.5Confident83.5Confident169 Ų16967 Ų6779%0.7936%0.356SS*.Hα-helixtrans-72.6-50.2-174.5-62179.4164.300112S1075 A1076 Q1077E1073-S1075 PolarHBondContact O-N 3.11Å; E1073-A1076 WeakPolarHBondContact O-CB 3.24Å; E1073-A1076 PolarHBondContact O-N 3.46Å; E1073-A1076 VanDerWaalsContact O-N 3.16Å; E1073-Q1077 PolarHBondContact O-N 2.91Å
1074K84.9Confident83.8Confident72 Ų7266.1 Ų66.131%0.31336%0.359SS..Hα-helixtrans-69-33.4179-69.4-170.9-177-1660112.5L1070 Q1077 L1078 L1101 E1104L1070-K1074 HydrophobicContact CB-CB 3.98Å; K1074-Q1077 PolarHBondContact O-N 3.28Å; K1074-L1078 PolarHBondContact O-N 2.84Å; K1074-L1101 HydrophobicContact CB-CD2 4Å; K1074-L1101 HydrophobicContact CD-CD2 4.05Å; K1074-L1101 HydrophobicContact CG-CD2 4.06Å; K1074-E1104 IonicContact NZ-OE1 2.66Å; K1074-E1104 PolarHBondContact NZ-OE1 3.49Å; K1074-E1104 IonicContact NZ-OE2 2.62Å; K1074-E1104 PolarHBondContact NZ-OE2 2.88Å
1075S85.5Confident84.3Confident4 Ų464 Ų643%0.02834%0.339CS..Hα-helixtrans-67.1-37.5170630000112.1G1071 P1072 E1073 Q1077 L1078 F1079G1071-S1075 VanDerWaalsContact O-CB 3.24Å; G1071-S1075 WeakPolarHBondContact O-CB 3.43Å; G1071-S1075 PolarHBondContact O-N 2.85Å; G1071-S1075 VanDerWaalsContact O-N 3.14Å; G1071-S1075 PolarHBondContact O-OG 3.23Å; P1072-S1075 PolarHBondContact O-OG 3.2Å; E1073-S1075 PolarHBondContact O-N 3.11Å; S1075-Q1077 PolarHBondContact O-N 2.85Å; S1075-L1078 WeakPolarHBondContact O-CB 3.26Å; S1075-L1078 PolarHBondContact O-N 3.34Å; S1075-F1079 WeakPolarHBondContact O-CD2 3.41Å; S1075-F1079 WeakPolarHBondContact O-CG 3.39Å; S1075-F1079 PolarHBondContact O-N 3.39Å
1076A84.8Confident84.3Confident52 Ų5268.6 Ų68.643%0.4336%0.356SS..Hα-helixtrans-61-4217200000112.6P1072 E1073 F1079 Q1080P1072-A1076 WeakPolarHBondContact O-CB 3.26Å; P1072-A1076 PolarHBondContact O-N 2.94Å; E1073-A1076 WeakPolarHBondContact O-CB 3.24Å; E1073-A1076 PolarHBondContact O-N 3.46Å; E1073-A1076 VanDerWaalsContact O-N 3.16Å; A1076-F1079 PolarHBondContact O-N 2.94Å; A1076-Q1080 PolarHBondContact O-N 2.94Å
1077Q86.7Confident84.2Confident100 Ų10076.1 Ų76.147%0.46739%0.389SS..Hα-helixtrans-60.1-44.4173.6-171.9179.43.500111.9E1073 K1074 S1075 Q1080 A1081 T1097 L1101E1073-Q1077 PolarHBondContact O-N 2.91Å; K1074-Q1077 PolarHBondContact O-N 3.28Å; S1075-Q1077 PolarHBondContact O-N 2.85Å; Q1077-Q1080 PolarHBondContact O-N 3.5Å; Q1077-A1081 PolarHBondContact O-N 3.23Å; Q1077-T1097 HydrophobicContact CG-CG2 4.38Å; Q1077-L1101 HydrophobicContact CB-CD1 4.44Å; Q1077-L1101 HydrophobicContact CG-CD1 4.43Å
1078L87.2Confident84.4Confident0 Ų075 Ų750%039%0.393CS..Hα-helixtrans-60.5-45.8173.9-171.877000111.8V1066 K1074 S1075 Q1080 A1081 I1082 V1098 L1101 F1102V1066-L1078 HydrophobicContact CG1-CD2 3.68Å; K1074-L1078 PolarHBondContact O-N 2.84Å; S1075-L1078 WeakPolarHBondContact O-CB 3.26Å; S1075-L1078 PolarHBondContact O-N 3.34Å; L1078-Q1080 VanDerWaalsContact C-N 3.3Å; L1078-Q1080 PolarHBondContact O-N 3.4Å; L1078-A1081 PolarHBondContact O-N 2.96Å; L1078-I1082 HydrophobicContact CD2-CD1 4.34Å; L1078-I1082 HydrophobicContact CG-CD1 3.99Å; L1078-I1082 VanDerWaalsContact O-CG1 3.26Å; L1078-I1082 WeakPolarHBondContact O-CG1 2.94Å; L1078-I1082 PolarHBondContact O-N 3.46Å; L1078-V1098 HydrophobicContact CD1-CG2 3.84Å; L1078-L1101 HydrophobicContact CB-CD1 3.86Å; L1078-L1101 HydrophobicContact CD1-CD1 4.05Å; L1078-F1102 HydrophobicContact CD1-CE2 3.98Å; L1078-F1102 HydrophobicContact CD1-CZ 4.32Å; L1078-F1102 HydrophobicContact CD2-CE2 4.12Å; L1078-F1102 HydrophobicContact CD2-CZ 3.67Å
1079F87.4Confident84.5Confident68 Ų6868.6 Ų68.630%0.29836%0.364SS..Hα-helixtrans-60-39.5176.4-74.1-59.3000112.3L1063 S1075 A1076 I1082 H1083L1063-F1079 HydrophobicContact CB-CZ 4.37Å; L1063-F1079 HydrophobicContact CD1-CE1 3.7Å; L1063-F1079 HydrophobicContact CD1-CZ 4.04Å; L1063-F1079 HydrophobicContact CD2-CE1 3.44Å; L1063-F1079 VanDerWaalsContact CD2-CE1 3.44Å; L1063-F1079 HydrophobicContact CD2-CZ 3.68Å; L1063-F1079 HydrophobicContact CG-CE1 4.11Å; L1063-F1079 HydrophobicContact CG-CZ 4.22Å; S1075-F1079 WeakPolarHBondContact O-CD2 3.41Å; S1075-F1079 WeakPolarHBondContact O-CG 3.39Å; S1075-F1079 PolarHBondContact O-N 3.39Å; A1076-F1079 PolarHBondContact O-N 2.94Å; F1079-I1082 PolarHBondContact O-N 2.68Å; F1079-H1083 VanDerWaalsContact O-CB 3.26Å; F1079-H1083 WeakPolarHBondContact O-CB 3.45Å; F1079-H1083 PolarHBondContact O-N 2.72Å
1080Q86.5Confident84.7Confident147 Ų14770.6 Ų70.669%0.68737%0.37SS*.Hα-helixtrans-64.5-42.4176.2-172.7172-500111.6A1076 Q1077 L1078 H1083 G1084A1076-Q1080 PolarHBondContact O-N 2.94Å; Q1077-Q1080 PolarHBondContact O-N 3.5Å; L1078-Q1080 VanDerWaalsContact C-N 3.3Å; L1078-Q1080 PolarHBondContact O-N 3.4Å; Q1080-H1083 PolarHBondContact O-N 3.03Å; Q1080-G1084 PolarHBondContact O-N 3.28Å
1081A85.9Confident85.1Confident18 Ų1870.1 Ų70.115%0.14937%0.367CS..Hα-helixtrans-64.5-45.7175.400000112.6Q1077 L1078 H1083 G1084 Y1085 L1094 T1097Q1077-A1081 PolarHBondContact O-N 3.23Å; L1078-A1081 PolarHBondContact O-N 2.96Å; A1081-H1083 VanDerWaalsContact C-N 3.31Å; A1081-H1083 PolarHBondContact O-N 3.01Å; A1081-G1084 PolarHBondContact O-N 2.92Å; A1081-Y1085 WeakPolarHBondContact O-CB 3.47Å; A1081-Y1085 PolarHBondContact O-N 2.89Å; A1081-L1094 HydrophobicContact CB-CD1 4.2Å; A1081-T1097 HydrophobicContact CB-CG2 3.84Å
1082I86.1Confident85.3Confident37 Ų3772.8 Ų72.819%0.1938%0.376CS..Hα-helixtrans-58.5-43.9174.7-63.7160.9000110.8L1078 F1079 K1086 L1094 F1115L1078-I1082 HydrophobicContact CD2-CD1 4.34Å; L1078-I1082 HydrophobicContact CG-CD1 3.99Å; L1078-I1082 VanDerWaalsContact O-CG1 3.26Å; L1078-I1082 WeakPolarHBondContact O-CG1 2.94Å; L1078-I1082 PolarHBondContact O-N 3.46Å; F1079-I1082 PolarHBondContact O-N 2.68Å; I1082-K1086 WeakPolarHBondContact O-CB 3.24Å; I1082-K1086 PolarHBondContact O-N 3.27Å; I1082-L1094 HydrophobicContact CG1-CD1 4.43Å; I1082-F1115 HydrophobicContact CD1-CE2 3.82Å; I1082-F1115 HydrophobicContact CD1-CZ 4.41Å; I1082-F1115 HydrophobicContact CG1-CE2 3.85Å; I1082-F1115 HydrophobicContact CG1-CZ 3.93Å
1083H82.7Confident85.7Confident104 Ų10470.6 Ų70.648%0.48136%0.363SS..Hα-helixtrans-70.1-36.6179.8178.6-124.9000112.5F1079 Q1080 A1081 K1086 K1087F1079-H1083 VanDerWaalsContact O-CB 3.26Å; F1079-H1083 WeakPolarHBondContact O-CB 3.45Å; F1079-H1083 PolarHBondContact O-N 2.72Å; Q1080-H1083 PolarHBondContact O-N 3.03Å; A1081-H1083 VanDerWaalsContact C-N 3.31Å; A1081-H1083 PolarHBondContact O-N 3.01Å; H1083-K1086 PolarHBondContact O-N 3.49Å; H1083-K1087 VanDerWaalsContact NE2-CE 3.33Å; H1083-K1087 WeakPolarHBondContact NE2-CE 3.4Å; H1083-K1087 PolarHBondContact O-N 3.09Å
1084G84.4Confident86.1Confident29 Ų2962.7 Ų62.730%0.29933%0.327SS..Hα-helixtrans-57.9-59.8170.100000111.1Q1080 A1081 K1086 K1087 T1088Q1080-G1084 PolarHBondContact O-N 3.28Å; A1081-G1084 PolarHBondContact O-N 2.92Å; G1084-K1086 VanDerWaalsContact C-N 3.25Å; G1084-K1086 PolarHBondContact O-N 3.26Å; G1084-K1087 CarbonylContact O-C 3.57Å; G1084-K1087 WeakPolarHBondContact O-CA 3.42Å; G1084-K1087 WeakPolarHBondContact O-CB 3.49Å; G1084-K1087 PolarHBondContact O-N 3.45Å; G1084-T1088 PolarHBondContact O-N 3.35Å; G1084-T1088 PolarHBondContact O-OG1 3.16Å; G1084-T1088 VanDerWaalsContact O-OG1 3.11Å
1085Y89.7Confident86.2Confident11 Ų1160.2 Ų60.24%0.04332%0.317CS..Hα-helixtrans-52.3-39.8175.6174-124000113.5A1081 K1087 D1089 D1090 L1094 R1120 H1123A1081-Y1085 WeakPolarHBondContact O-CB 3.47Å; A1081-Y1085 PolarHBondContact O-N 2.89Å; Y1085-K1087 PolarHBondContact O-N 3.45Å; Y1085-D1089 VanDerWaalsContact O-CA 3.29Å; Y1085-D1089 WeakPolarHBondContact O-CA 3.46Å; Y1085-D1089 PolarHBondContact O-N 3.03Å; Y1085-D1090 VanDerWaalsContact CD2-O 3.3Å; Y1085-D1090 WeakPolarHBondContact CD2-O 3.25Å; Y1085-L1094 HydrophobicContact CD1-CD1 4.44Å; Y1085-L1094 HydrophobicContact CD1-CD2 3.5Å; Y1085-L1094 HydrophobicContact CD1-CG 4.44Å; Y1085-L1094 HydrophobicContact CD2-CB 4.39Å; Y1085-L1094 HydrophobicContact CD2-CD2 4.22Å; Y1085-L1094 HydrophobicContact CE1-CD2 3.64Å; Y1085-L1094 HydrophobicContact CE2-CD2 4.38Å; Y1085-L1094 HydrophobicContact CG-CB 4.25Å; Y1085-L1094 HydrophobicContact CG-CD1 4.39Å; Y1085-L1094 HydrophobicContact CG-CD2 3.77Å; Y1085-L1094 HydrophobicContact CG-CG 4.35Å; Y1085-R1120 HydrophobicContact CE1-CG 4.21Å; Y1085-R1120 PolarHBondContact OH-N 2.91Å; Y1085-H1123 AromaticContact CE2-ND1 3.69Å; Y1085-H1123 AromaticContact CZ-ND1 3.76Å; Y1085-H1123 PolarHBondContact OH-ND1 3.5Å
1086K82Confident86.4Confident149 Ų14964.9 Ų64.965%0.64835%0.346SS*.Hα-helixtrans-61.4-28176.3-168.9176.3179.9-1780112.5I1082 H1083 G1084 R1120I1082-K1086 WeakPolarHBondContact O-CB 3.24Å; I1082-K1086 PolarHBondContact O-N 3.27Å; H1083-K1086 PolarHBondContact O-N 3.49Å; G1084-K1086 VanDerWaalsContact C-N 3.25Å; G1084-K1086 PolarHBondContact O-N 3.26Å; K1086-R1120 PolarHBondContact O-NH2 2.85Å
1087K82.6Confident86.5Confident158 Ų15864 Ų6469%0.68734%0.335SS*.Hα-helixtrans-92.8-45.5176.4-69.6-175.6175.2-177.60113.8H1083 G1084 Y1085H1083-K1087 VanDerWaalsContact NE2-CE 3.33Å; H1083-K1087 WeakPolarHBondContact NE2-CE 3.4Å; H1083-K1087 PolarHBondContact O-N 3.09Å; G1084-K1087 CarbonylContact O-C 3.57Å; G1084-K1087 WeakPolarHBondContact O-CA 3.42Å; G1084-K1087 WeakPolarHBondContact O-CB 3.49Å; G1084-K1087 PolarHBondContact O-N 3.45Å; Y1085-K1087 PolarHBondContact O-N 3.45Å
1088T86.2Confident86.6Confident98 Ų9859.2 Ų59.260%0.60131%0.313SS*.Hα-helixtrans-93.6-19.4-17259.20000114.4G1084 D1090G1084-T1088 PolarHBondContact O-N 3.35Å; G1084-T1088 PolarHBondContact O-OG1 3.16Å; G1084-T1088 VanDerWaalsContact O-OG1 3.11Å; T1088-D1090 PolarHBondContact O-N 2.97Å; T1088-D1090 WeakPolarHBondContact OG1-CB 3.36Å; T1088-D1090 PolarHBondContact OG1-N 2.69Å
1089D85.1Confident86.6Confident37 Ų3760.5 Ų60.520%0.19832%0.321CS..  trans62.37.1-167.7-153.766.7000115.5Y1085 Y1091 R1120 R1122 H1123Y1085-D1089 VanDerWaalsContact O-CA 3.29Å; Y1085-D1089 WeakPolarHBondContact O-CA 3.46Å; Y1085-D1089 PolarHBondContact O-N 3.03Å; D1089-Y1091 PolarHBondContact O-N 3.16Å; D1089-R1120 WeakPolarHBondContact OD1-CD 3.44Å; D1089-R1120 IonicContact OD1-CZ 2.73Å; D1089-R1120 IonicContact OD1-NE 2.6Å; D1089-R1120 IonicContact OD1-NH1 2.63Å; D1089-R1120 PolarHBondContact OD1-NH1 3.05Å; D1089-R1122 IonicContact OD1-CZ 2.69Å; D1089-R1122 IonicContact OD1-NE 3.59Å; D1089-R1122 IonicContact OD1-NH2 3.24Å; D1089-R1122 PolarHBondContact OD1-NH2 2.83Å; D1089-R1122 IonicContact OD2-CZ 2.69Å; D1089-R1122 IonicContact OD2-NE 3.59Å; D1089-R1122 PolarHBondContact OD2-NE 3.28Å; D1089-R1122 IonicContact OD2-NH2 2.63Å; D1089-R1122 PolarHBondContact OD2-NH2 3.18Å; D1089-H1123 IonicContact OD1-CE1 2.59Å; D1089-H1123 IonicContact OD2-CE1 3.23Å; D1089-H1123 PolarHBondContact OD2-CE1 3.3Å; D1089-H1123 VanDerWaalsContact OD2-CE1 3.29Å; D1089-H1123 IonicContact OD2-NE2 2.84Å
1090D87.4Confident86.6Confident76 Ų7660.6 Ų60.641%0.40633%0.33SS..  trans-64.2100.1177.9-175.3-14000111.1Y1085 T1088 D1092 S1093Y1085-D1090 VanDerWaalsContact CD2-O 3.3Å; Y1085-D1090 WeakPolarHBondContact CD2-O 3.25Å; T1088-D1090 PolarHBondContact O-N 2.97Å; T1088-D1090 WeakPolarHBondContact OG1-CB 3.36Å; T1088-D1090 PolarHBondContact OG1-N 2.69Å; D1090-D1092 PolarHBondContact OD1-N 3.29Å; D1090-D1092 VanDerWaalsContact OD1-N 3.17Å; D1090-S1093 WeakPolarHBondContact OD1-CB 3.24Å; D1090-S1093 PolarHBondContact OD1-N 3.32Å; D1090-S1093 VanDerWaalsContact OD2-CB 3.25Å; D1090-S1093 WeakPolarHBondContact OD2-CB 3.48Å
1091Y90.3Very high86.5Confident10 Ų1053.8 Ų53.84%0.03930%0.298CS..Hα-helixtrans-75.5-36.4-178.5173-96.6000112.7D1089 L1094 V1095 V1119 H1123 R1126 Y1127D1089-Y1091 PolarHBondContact O-N 3.16Å; Y1091-L1094 WeakPolarHBondContact O-CB 3.45Å; Y1091-L1094 PolarHBondContact O-N 3.04Å; Y1091-V1095 HydrophobicContact CD1-CG2 4.2Å; Y1091-V1095 HydrophobicContact CD2-CG2 4.13Å; Y1091-V1095 HydrophobicContact CE1-CB 4.49Å; Y1091-V1095 HydrophobicContact CE1-CG2 3.68Å; Y1091-V1095 HydrophobicContact CE2-CG2 3.59Å; Y1091-V1095 HydrophobicContact CG-CG2 4.42Å; Y1091-V1095 WeakPolarHBondContact O-CG2 3.3Å; Y1091-V1095 PolarHBondContact O-N 2.94Å; Y1091-V1119 HydrophobicContact CE2-CG1 4.31Å; Y1091-H1123 HydrophobicContact CD2-CB 3.5Å; Y1091-H1123 AromaticContact CD2-CG 3.77Å; Y1091-H1123 AromaticContact CD2-ND1 3.88Å; Y1091-H1123 HydrophobicContact CE2-CB 3.74Å; Y1091-H1123 HydrophobicContact CG-CB 4.27Å; Y1091-R1126 HydrophobicContact CE1-CB 4.2Å; Y1091-R1126 HydrophobicContact CE1-CG 3.75Å; Y1091-R1126 PolarHBondContact OH-O 3.47Å; Y1091-R1126 VanDerWaalsContact OH-O 3.08Å; Y1091-Y1127 HydrophobicContact CE2-CD2 4.35Å; Y1091-Y1127 WeakPolarHBondContact OH-CA 3.49Å; Y1091-Y1127 PolarHBondContact OH-N 2.95Å
1092D86.3Confident86.6Confident78 Ų7853 Ų5342%0.41729%0.291SS..Hα-helixtrans-73.8-41.7-173-70.1-77.1000110.5D1090 L1094 V1095 T1096 R1126D1090-D1092 PolarHBondContact OD1-N 3.29Å; D1090-D1092 VanDerWaalsContact OD1-N 3.17Å; D1092-L1094 VanDerWaalsContact C-N 3.33Å; D1092-L1094 PolarHBondContact O-N 3.32Å; D1092-V1095 PolarHBondContact O-N 3.36Å; D1092-T1096 PolarHBondContact O-N 2.83Å; D1092-T1096 PolarHBondContact O-OG1 3.36Å; D1092-T1096 VanDerWaalsContact O-OG1 3.05Å; D1092-R1126 VanDerWaalsContact CG-NH1 3.34Å; D1092-R1126 IonicContact OD1-CZ 2.68Å; D1092-R1126 VanDerWaalsContact OD1-CZ 3.24Å; D1092-R1126 IonicContact OD1-NH1 2.65Å; D1092-R1126 PolarHBondContact OD1-NH1 3.1Å; D1092-R1126 VanDerWaalsContact OD1-NH1 3.15Å; D1092-R1126 IonicContact OD1-NH2 2.67Å; D1092-R1126 PolarHBondContact OD1-NH2 3.06Å; D1092-R1126 IonicContact OD2-CZ 2.83Å; D1092-R1126 IonicContact OD2-NH1 3.15Å; D1092-R1126 PolarHBondContact OD2-NH1 2.97Å; D1092-R1126 IonicContact OD2-NH2 2.76Å
1093S85.8Confident86.4Confident66 Ų6653.9 Ų53.946%0.46230%0.299SS..Hα-helixtrans-60.1-40.2170.4-178.10000112.8D1090 T1097D1090-S1093 WeakPolarHBondContact OD1-CB 3.24Å; D1090-S1093 PolarHBondContact OD1-N 3.32Å; D1090-S1093 VanDerWaalsContact OD2-CB 3.25Å; D1090-S1093 WeakPolarHBondContact OD2-CB 3.48Å; S1093-T1097 PolarHBondContact O-N 3.21Å; S1093-T1097 PolarHBondContact O-OG1 3.45Å
1094L90.4Very high86.1Confident3 Ų353.8 Ų53.82%0.01630%0.298CS..Hα-helixtrans-61.5-53.6174.3-17976000111.1A1081 I1082 Y1085 Y1091 D1092 T1096 T1097 V1098 F1115A1081-L1094 HydrophobicContact CB-CD1 4.2Å; I1082-L1094 HydrophobicContact CG1-CD1 4.43Å; Y1085-L1094 HydrophobicContact CD1-CD1 4.44Å; Y1085-L1094 HydrophobicContact CD1-CD2 3.5Å; Y1085-L1094 HydrophobicContact CD1-CG 4.44Å; Y1085-L1094 HydrophobicContact CD2-CB 4.39Å; Y1085-L1094 HydrophobicContact CD2-CD2 4.22Å; Y1085-L1094 HydrophobicContact CE1-CD2 3.64Å; Y1085-L1094 HydrophobicContact CE2-CD2 4.38Å; Y1085-L1094 HydrophobicContact CG-CB 4.25Å; Y1085-L1094 HydrophobicContact CG-CD1 4.39Å; Y1085-L1094 HydrophobicContact CG-CD2 3.77Å; Y1085-L1094 HydrophobicContact CG-CG 4.35Å; Y1091-L1094 WeakPolarHBondContact O-CB 3.45Å; Y1091-L1094 PolarHBondContact O-N 3.04Å; D1092-L1094 VanDerWaalsContact C-N 3.33Å; D1092-L1094 PolarHBondContact O-N 3.32Å; L1094-T1096 PolarHBondContact O-N 3.31Å; L1094-T1097 PolarHBondContact O-N 2.95Å; L1094-V1098 HydrophobicContact CD1-CG2 3.91Å; L1094-V1098 HydrophobicContact CG-CG2 3.92Å; L1094-V1098 WeakPolarHBondContact O-CB 3.24Å; L1094-V1098 VanDerWaalsContact O-CG2 3.24Å; L1094-V1098 WeakPolarHBondContact O-CG2 3.39Å; L1094-V1098 PolarHBondContact O-N 2.95Å; L1094-F1115 HydrophobicContact CD1-CZ 4.28Å; L1094-F1115 HydrophobicContact CD2-CE1 4.15Å; L1094-F1115 HydrophobicContact CD2-CZ 4.38Å
1095V87.9Confident85.8Confident19 Ų1959.9 Ų59.912%0.11531%0.312CS..Hα-helixtrans-63.3-43.7-174.51670000111.4Y1091 D1092 T1097 V1098 V1099 Y1127 M1130Y1091-V1095 HydrophobicContact CD1-CG2 4.2Å; Y1091-V1095 HydrophobicContact CD2-CG2 4.13Å; Y1091-V1095 HydrophobicContact CE1-CB 4.49Å; Y1091-V1095 HydrophobicContact CE1-CG2 3.68Å; Y1091-V1095 HydrophobicContact CE2-CG2 3.59Å; Y1091-V1095 HydrophobicContact CG-CG2 4.42Å; Y1091-V1095 WeakPolarHBondContact O-CG2 3.3Å; Y1091-V1095 PolarHBondContact O-N 2.94Å; D1092-V1095 PolarHBondContact O-N 3.36Å; V1095-T1097 VanDerWaalsContact C-N 3.25Å; V1095-T1097 PolarHBondContact O-N 3.2Å; V1095-V1098 PolarHBondContact O-N 3.15Å; V1095-V1099 HydrophobicContact CG1-CG2 3.89Å; V1095-V1099 WeakPolarHBondContact O-CB 3.35Å; V1095-V1099 VanDerWaalsContact O-CG2 3.28Å; V1095-V1099 WeakPolarHBondContact O-CG2 3.49Å; V1095-V1099 PolarHBondContact O-N 3.22Å; V1095-Y1127 HydrophobicContact CG2-CD2 4.22Å; V1095-M1130 HydrophobicContact CG1-CE 3.93Å; V1095-M1130 HydrophobicContact CG1-CG 4.16Å; V1095-M1130 HydrophobicContact CG1-SD 4.26Å; V1095-M1130 HydrophobicContact CG2-CE 4.26Å
1096T88.6Confident84.9Confident103 Ų10366.4 Ų66.463%0.63235%0.348SS*.Hα-helixtrans-55.4-43175.4-57.60000111.5D1092 L1094 S1100D1092-T1096 PolarHBondContact O-N 2.83Å; D1092-T1096 PolarHBondContact O-OG1 3.36Å; D1092-T1096 VanDerWaalsContact O-OG1 3.05Å; L1094-T1096 PolarHBondContact O-N 3.31Å; T1096-S1100 WeakPolarHBondContact O-CB 3.27Å; T1096-S1100 PolarHBondContact O-N 3.03Å; T1096-S1100 VanDerWaalsContact O-N 3.13Å
1097T86.7Confident84.5Confident33 Ų3366.6 Ų66.620%0.20235%0.351CS..Hα-helixtrans-71-43.1178.5-48.50000112.3Q1077 A1081 S1093 L1094 V1095 L1101Q1077-T1097 HydrophobicContact CG-CG2 4.38Å; A1081-T1097 HydrophobicContact CB-CG2 3.84Å; S1093-T1097 PolarHBondContact O-N 3.21Å; S1093-T1097 PolarHBondContact O-OG1 3.45Å; L1094-T1097 PolarHBondContact O-N 2.95Å; V1095-T1097 VanDerWaalsContact C-N 3.25Å; V1095-T1097 PolarHBondContact O-N 3.2Å; T1097-L1101 HydrophobicContact CG2-CD1 4Å; T1097-L1101 WeakPolarHBondContact O-CB 3.32Å; T1097-L1101 VanDerWaalsContact O-CG 3.28Å; T1097-L1101 WeakPolarHBondContact O-CG 3.34Å; T1097-L1101 PolarHBondContact O-N 3.23Å; T1097-L1101 VanDerWaalsContact O-N 3.1Å
1098V88.8Confident84.4Confident0 Ų059.4 Ų59.40%032%0.32CS..Hα-helixtrans-67.3-44.9-177.5165.90000111.6L1078 L1094 V1095 L1101 F1102 L1112 F1115L1078-V1098 HydrophobicContact CD1-CG2 3.84Å; L1094-V1098 HydrophobicContact CD1-CG2 3.91Å; L1094-V1098 HydrophobicContact CG-CG2 3.92Å; L1094-V1098 WeakPolarHBondContact O-CB 3.24Å; L1094-V1098 VanDerWaalsContact O-CG2 3.24Å; L1094-V1098 WeakPolarHBondContact O-CG2 3.39Å; L1094-V1098 PolarHBondContact O-N 2.95Å; V1095-V1098 PolarHBondContact O-N 3.15Å; V1098-L1101 PolarHBondContact O-N 3.39Å; V1098-F1102 HydrophobicContact CG1-CD2 3.97Å; V1098-F1102 HydrophobicContact CG1-CE2 4.2Å; V1098-F1102 VanDerWaalsContact O-CD2 3.25Å; V1098-F1102 WeakPolarHBondContact O-CD2 3.39Å; V1098-F1102 PolarHBondContact O-N 3Å; V1098-L1112 HydrophobicContact CG1-CD1 3.57Å; V1098-F1115 HydrophobicContact CB-CE1 4.4Å; V1098-F1115 HydrophobicContact CG1-CD1 3.7Å; V1098-F1115 HydrophobicContact CG1-CE1 3.93Å; V1098-F1115 HydrophobicContact CG1-CG 4.19Å; V1098-F1115 HydrophobicContact CG2-CD1 4.24Å; V1098-F1115 HydrophobicContact CG2-CE1 3.63Å; V1098-F1115 HydrophobicContact CG2-CE2 4.37Å; V1098-F1115 HydrophobicContact CG2-CZ 3.7Å
1099V87.2Confident84.2Confident27 Ų2757.2 Ų57.216%0.16430%0.302CS..Hα-helixtrans-63-52.2174.5177.20000109.5V1095 L1101 F1102 T1103 M1130 L1134V1095-V1099 HydrophobicContact CG1-CG2 3.89Å; V1095-V1099 WeakPolarHBondContact O-CB 3.35Å; V1095-V1099 VanDerWaalsContact O-CG2 3.28Å; V1095-V1099 WeakPolarHBondContact O-CG2 3.49Å; V1095-V1099 PolarHBondContact O-N 3.22Å; V1099-L1101 PolarHBondContact O-N 3.28Å; V1099-F1102 PolarHBondContact O-N 3.4Å; V1099-F1102 VanDerWaalsContact O-N 3.1Å; V1099-T1103 HydrophobicContact CG1-CG2 3.75Å; V1099-T1103 PolarHBondContact O-N 2.98Å; V1099-T1103 PolarHBondContact O-OG1 2.93Å; V1099-T1103 VanDerWaalsContact O-OG1 3.05Å; V1099-M1130 HydrophobicContact CG2-CE 4.31Å; V1099-M1130 HydrophobicContact CG2-SD 3.71Å; V1099-L1134 HydrophobicContact CG1-CD1 4Å; V1099-L1134 HydrophobicContact CG2-CD1 4.09Å
1100S87.1Confident83.9Confident70 Ų7059.9 Ų59.949%0.4931%0.314SS..Hα-helixtrans-58.2-23.9-178.4-174.30000114.5T1096 E1104T1096-S1100 WeakPolarHBondContact O-CB 3.27Å; T1096-S1100 PolarHBondContact O-N 3.03Å; T1096-S1100 VanDerWaalsContact O-N 3.13Å; S1100-E1104 WeakPolarHBondContact O-CG 3.32Å
1101L86.4Confident83.7Confident4 Ų456.3 Ų56.32%0.02129%0.294CS..Hα-helixtrans-91.4-29.1177.8-71.2177.1000113.6L1070 K1074 Q1077 L1078 T1097 V1098 V1099L1070-L1101 HydrophobicContact CD1-CB 4.2Å; L1070-L1101 WeakPolarHBondContact CD2-O 2.86Å; K1074-L1101 HydrophobicContact CB-CD2 4Å; K1074-L1101 HydrophobicContact CD-CD2 4.05Å; K1074-L1101 HydrophobicContact CG-CD2 4.06Å; Q1077-L1101 HydrophobicContact CB-CD1 4.44Å; Q1077-L1101 HydrophobicContact CG-CD1 4.43Å; L1078-L1101 HydrophobicContact CB-CD1 3.86Å; L1078-L1101 HydrophobicContact CD1-CD1 4.05Å; T1097-L1101 HydrophobicContact CG2-CD1 4Å; T1097-L1101 WeakPolarHBondContact O-CB 3.32Å; T1097-L1101 VanDerWaalsContact O-CG 3.28Å; T1097-L1101 WeakPolarHBondContact O-CG 3.34Å; T1097-L1101 PolarHBondContact O-N 3.23Å; T1097-L1101 VanDerWaalsContact O-N 3.1Å; V1098-L1101 PolarHBondContact O-N 3.39Å; V1099-L1101 PolarHBondContact O-N 3.28Å
1102F87.1Confident83.5Confident0 Ų055.8 Ų55.80%029%0.292CS..Hα-helixtrans-100.1-14.9-178-66-57.2000114.7F1062 V1066 L1070 L1078 V1098 V1099 N1108 L1111 L1112 F1115F1062-F1102 HydrophobicContact CZ-CZ 4.35Å; V1066-F1102 HydrophobicContact CG1-CZ 4.48Å; V1066-F1102 HydrophobicContact CG2-CE1 4.13Å; V1066-F1102 HydrophobicContact CG2-CZ 4Å; L1070-F1102 HydrophobicContact CD1-CD1 4.2Å; L1070-F1102 HydrophobicContact CD1-CE1 3.7Å; L1070-F1102 HydrophobicContact CD1-CZ 4.23Å; L1070-F1102 HydrophobicContact CD2-CD1 4.23Å; L1070-F1102 HydrophobicContact CD2-CE1 4.36Å; L1070-F1102 HydrophobicContact CG-CE1 4.14Å; L1078-F1102 HydrophobicContact CD1-CE2 3.98Å; L1078-F1102 HydrophobicContact CD1-CZ 4.32Å; L1078-F1102 HydrophobicContact CD2-CE2 4.12Å; L1078-F1102 HydrophobicContact CD2-CZ 3.67Å; V1098-F1102 HydrophobicContact CG1-CD2 3.97Å; V1098-F1102 HydrophobicContact CG1-CE2 4.2Å; V1098-F1102 VanDerWaalsContact O-CD2 3.25Å; V1098-F1102 WeakPolarHBondContact O-CD2 3.39Å; V1098-F1102 PolarHBondContact O-N 3Å; V1099-F1102 PolarHBondContact O-N 3.4Å; V1099-F1102 VanDerWaalsContact O-N 3.1Å; F1102-N1108 HydrophobicContact CD1-CB 4.32Å; F1102-N1108 WeakPolarHBondContact O-CB 3.38Å; F1102-L1111 HydrophobicContact CD1-CB 3.77Å; F1102-L1111 HydrophobicContact CD1-CD1 4.26Å; F1102-L1111 HydrophobicContact CE1-CB 3.56Å; F1102-L1111 HydrophobicContact CE1-CD1 3.86Å; F1102-L1111 HydrophobicContact CE1-CG 4.35Å; F1102-L1111 HydrophobicContact CG-CB 4.48Å; F1102-L1111 HydrophobicContact CZ-CB 4.11Å; F1102-L1112 HydrophobicContact CB-CB 3.89Å; F1102-L1112 HydrophobicContact CB-CD1 4.18Å; F1102-L1112 HydrophobicContact CB-CG 4.49Å; F1102-L1112 HydrophobicContact CD2-CB 4.35Å; F1102-L1112 HydrophobicContact CD2-CD1 4Å; F1102-L1112 HydrophobicContact CG-CB 4.35Å; F1102-F1115 HydrophobicContact CE2-CD2 4.43Å
1103T81.8Confident83.4Confident57 Ų5755.1 Ų55.135%0.3529%0.288SS..SBendtrans-9710.7175.169.50000114.1V1099 R1105 F1109 L1112V1099-T1103 HydrophobicContact CG1-CG2 3.75Å; V1099-T1103 PolarHBondContact O-N 2.98Å; V1099-T1103 PolarHBondContact O-OG1 2.93Å; V1099-T1103 VanDerWaalsContact O-OG1 3.05Å; T1103-R1105 VanDerWaalsContact C-N 3.3Å; T1103-F1109 HydrophobicContact CG2-CE2 3.9Å; T1103-F1109 HydrophobicContact CG2-CZ 4.21Å; T1103-L1112 HydrophobicContact CG2-CD2 4.16Å
1104E77.3Confident83.3Confident102 Ų10256.1 Ų56.148%0.47728%0.282SS..SBendtrans-72.1-21.8171.2-81.5-176.9167.800113.6K1074 S1100K1074-E1104 IonicContact NZ-OE1 2.66Å; K1074-E1104 PolarHBondContact NZ-OE1 3.49Å; K1074-E1104 IonicContact NZ-OE2 2.62Å; K1074-E1104 PolarHBondContact NZ-OE2 2.88Å; S1100-E1104 WeakPolarHBondContact O-CG 3.32Å
1105R77.1Confident83.1Confident156 Ų15656.1 Ų56.159%0.58928%0.281SS*.SBendtrans-150.5135.7-178.5-62.4-174.6-177.8-1780.5110.1T1103 E1107 N1108T1103-R1105 VanDerWaalsContact C-N 3.3Å; R1105-E1107 PolarHBondContact O-N 3.27Å; R1105-N1108 WeakPolarHBondContact O-CB 3.45Å; R1105-N1108 PolarHBondContact O-N 3.49Å
1106D71.6Confident82.7Confident149 Ų14956 Ų5680%0.79728%0.284SS*.G310 helixtrans-62-30.9-175.2-53.9-38.6000113.2N1108 F1109D1106-N1108 PolarHBondContact O-N 3.14Å; D1106-F1109 WeakPolarHBondContact O-CB 3.37Å; D1106-F1109 PolarHBondContact O-N 3.13Å
1107E73.6Confident82.3Confident152 Ų15253.7 Ų53.771%0.7127%0.27SS*.G310 helixtrans-59.3-29175.6-59.4175.9158.900112.9R1105 H1110R1105-E1107 PolarHBondContact O-N 3.27Å; E1107-H1110 PolarHBondContact O-ND1 3.33Å
1108N80.5Confident82Confident8 Ų854.6 Ų54.64%0.04327%0.271CS..G310 helixtrans-83.9-11.4-176.2-68.5-13.8000113.2L1070 F1102 R1105 D1106 H1110 L1111 L1112L1070-N1108 WeakPolarHBondContact CD2-ND2 3.48Å; F1102-N1108 HydrophobicContact CD1-CB 4.32Å; F1102-N1108 WeakPolarHBondContact O-CB 3.38Å; R1105-N1108 WeakPolarHBondContact O-CB 3.45Å; R1105-N1108 PolarHBondContact O-N 3.49Å; D1106-N1108 PolarHBondContact O-N 3.14Å; N1108-H1110 PolarHBondContact O-N 3.03Å; N1108-L1111 WeakPolarHBondContact O-CB 3.32Å; N1108-L1111 PolarHBondContact O-N 3.28Å; N1108-L1112 PolarHBondContact O-N 2.92Å
1109F80.5Confident81.8Confident51 Ų5154.8 Ų54.822%0.22427%0.272CS..Hα-helixtrans-60.5-30.9-177.1-129.2-76000113T1103 D1106 L1111 L1112 I1113 L1134 I1135T1103-F1109 HydrophobicContact CG2-CE2 3.9Å; T1103-F1109 HydrophobicContact CG2-CZ 4.21Å; D1106-F1109 WeakPolarHBondContact O-CB 3.37Å; D1106-F1109 PolarHBondContact O-N 3.13Å; F1109-L1111 PolarHBondContact O-N 3.22Å; F1109-L1112 HydrophobicContact CD1-CD2 4.19Å; F1109-L1112 HydrophobicContact CE1-CD2 3.86Å; F1109-L1112 HydrophobicContact CZ-CD2 4.29Å; F1109-L1112 WeakPolarHBondContact O-CB 3.09Å; F1109-L1112 PolarHBondContact O-N 3.09Å; F1109-L1112 VanDerWaalsContact O-N 3.14Å; F1109-I1113 PolarHBondContact O-N 2.91Å; F1109-L1134 HydrophobicContact CZ-CB 4.18Å; F1109-I1135 HydrophobicContact CD1-CG1 4.32Å; F1109-I1135 HydrophobicContact CE1-CD1 4.3Å; F1109-I1135 HydrophobicContact CE1-CG1 3.65Å; F1109-I1135 HydrophobicContact CZ-CG1 4.48Å
1110H79.3Confident81.7Confident94 Ų9457.3 Ų57.344%0.43528%0.279SS..Hα-helixtrans-65.1-26.8176.592.7-87.1000112.5E1107 N1108 R1114E1107-H1110 PolarHBondContact O-ND1 3.33Å; N1108-H1110 PolarHBondContact O-N 3.03Å; H1110-R1114 PolarHBondContact NE2-NH1 3.15Å; H1110-R1114 VanDerWaalsContact O-CG 3.32Å; H1110-R1114 WeakPolarHBondContact O-CG 3.42Å; H1110-R1114 PolarHBondContact O-N 2.97Å
1111L84.3Confident81.4Confident0 Ų059.3 Ų59.30%029%0.29CS..Hα-helixtrans-75.1-33.9174.3-60.9173.1000111.5F1062 D1065 V1066 A1069 F1102 N1108 F1109 I1113 R1114 F1115F1062-L1111 HydrophobicContact CD2-CD2 4.14Å; F1062-L1111 HydrophobicContact CE2-CB 4.12Å; F1062-L1111 HydrophobicContact CE2-CD2 3.89Å; F1062-L1111 WeakPolarHBondContact CE2-O 3.13Å; D1065-L1111 HydrophobicContact CB-CD2 3.98Å; V1066-L1111 HydrophobicContact CG2-CD1 4.13Å; V1066-L1111 HydrophobicContact CG2-CD2 4.25Å; A1069-L1111 HydrophobicContact CB-CD1 3.64Å; F1102-L1111 HydrophobicContact CD1-CB 3.77Å; F1102-L1111 HydrophobicContact CD1-CD1 4.26Å; F1102-L1111 HydrophobicContact CE1-CB 3.56Å; F1102-L1111 HydrophobicContact CE1-CD1 3.86Å; F1102-L1111 HydrophobicContact CE1-CG 4.35Å; F1102-L1111 HydrophobicContact CG-CB 4.48Å; F1102-L1111 HydrophobicContact CZ-CB 4.11Å; N1108-L1111 WeakPolarHBondContact O-CB 3.32Å; N1108-L1111 PolarHBondContact O-N 3.28Å; F1109-L1111 PolarHBondContact O-N 3.22Å; L1111-I1113 VanDerWaalsContact C-N 3.32Å; L1111-I1113 PolarHBondContact O-N 3.08Å; L1111-R1114 PolarHBondContact O-N 2.76Å; L1111-F1115 WeakPolarHBondContact O-CB 3.43Å; L1111-F1115 PolarHBondContact O-N 3.17Å
1112L85.4Confident81.1Confident0 Ų067.3 Ų67.30%032%0.32CS..Hα-helixtrans-62-39174.8-172.766.1000111.7V1098 F1102 T1103 N1108 F1109 Y1127 L1131 L1134V1098-L1112 HydrophobicContact CG1-CD1 3.57Å; F1102-L1112 HydrophobicContact CB-CB 3.89Å; F1102-L1112 HydrophobicContact CB-CD1 4.18Å; F1102-L1112 HydrophobicContact CB-CG 4.49Å; F1102-L1112 HydrophobicContact CD2-CB 4.35Å; F1102-L1112 HydrophobicContact CD2-CD1 4Å; F1102-L1112 HydrophobicContact CG-CB 4.35Å; T1103-L1112 HydrophobicContact CG2-CD2 4.16Å; N1108-L1112 PolarHBondContact O-N 2.92Å; F1109-L1112 HydrophobicContact CD1-CD2 4.19Å; F1109-L1112 HydrophobicContact CE1-CD2 3.86Å; F1109-L1112 HydrophobicContact CZ-CD2 4.29Å; F1109-L1112 WeakPolarHBondContact O-CB 3.09Å; F1109-L1112 PolarHBondContact O-N 3.09Å; F1109-L1112 VanDerWaalsContact O-N 3.14Å; L1112-Y1127 WeakPolarHBondContact CD1-OH 3.3Å; L1112-Y1127 PolarHBondContact O-OH 3.4Å; L1112-L1131 HydrophobicContact CD2-CD2 4.09Å; L1112-L1131 HydrophobicContact CG-CD2 3.87Å; L1112-L1134 HydrophobicContact CD2-CD1 4.22Å
1113I83.6Confident81.1Confident63 Ų6368.8 Ų68.832%0.32333%0.327SS..Hα-helixtrans-66.1-51.4173.7-61.2172.2000110.1F1109 L1111 F1115 G1116 L1131 I1135F1109-I1113 PolarHBondContact O-N 2.91Å; L1111-I1113 VanDerWaalsContact C-N 3.32Å; L1111-I1113 PolarHBondContact O-N 3.08Å; I1113-F1115 PolarHBondContact O-N 3.39Å; I1113-G1116 PolarHBondContact O-N 2.95Å; I1113-G1116 VanDerWaalsContact O-N 3.15Å; I1113-L1131 HydrophobicContact CG1-CD2 4.31Å; I1113-I1135 HydrophobicContact CD1-CD1 4.07Å; I1113-I1135 HydrophobicContact CG1-CD1 4.16Å
1114R83.5Confident81.2Confident88 Ų8869 Ų6933%0.33232%0.323SS..Hα-helixtrans-60.8-28.5178.8-70.3168.769.8-161.2-0.3112.9F1062 D1065 H1110 L1111 G1116 V1117F1062-R1114 HydrophobicContact CD2-CB 3.85Å; F1062-R1114 HydrophobicContact CE2-CB 3.74Å; D1065-R1114 IonicContact OD2-CZ 2.73Å; D1065-R1114 IonicContact OD2-NH1 3.55Å; D1065-R1114 PolarHBondContact OD2-NH1 2.88Å; D1065-R1114 IonicContact OD2-NH2 2.64Å; D1065-R1114 PolarHBondContact OD2-NH2 2.67Å; H1110-R1114 PolarHBondContact NE2-NH1 3.15Å; H1110-R1114 VanDerWaalsContact O-CG 3.32Å; H1110-R1114 WeakPolarHBondContact O-CG 3.42Å; H1110-R1114 PolarHBondContact O-N 2.97Å; L1111-R1114 PolarHBondContact O-N 2.76Å; R1114-G1116 PolarHBondContact O-N 2.93Å; R1114-V1117 WeakPolarHBondContact O-CG2 3.28Å; R1114-V1117 PolarHBondContact O-N 2.99Å
1115F87.4Confident81.4Confident2 Ų271.3 Ų71.31%0.00933%0.332CS..G310 helixtrans-62.7-21.8177.7-172.7-96.2000113.8F1062 I1082 L1094 V1098 F1102 L1111 I1113 V1117 F1118 V1119 Y1127F1062-F1115 HydrophobicContact CE1-CD2 4.05Å; F1062-F1115 HydrophobicContact CZ-CB 4.04Å; F1062-F1115 AromaticContact CZ-CD2 3.98Å; F1062-F1115 HydrophobicContact CZ-CD2 3.98Å; I1082-F1115 HydrophobicContact CD1-CE2 3.82Å; I1082-F1115 HydrophobicContact CD1-CZ 4.41Å; I1082-F1115 HydrophobicContact CG1-CE2 3.85Å; I1082-F1115 HydrophobicContact CG1-CZ 3.93Å; L1094-F1115 HydrophobicContact CD1-CZ 4.28Å; L1094-F1115 HydrophobicContact CD2-CE1 4.15Å; L1094-F1115 HydrophobicContact CD2-CZ 4.38Å; V1098-F1115 HydrophobicContact CB-CE1 4.4Å; V1098-F1115 HydrophobicContact CG1-CD1 3.7Å; V1098-F1115 HydrophobicContact CG1-CE1 3.93Å; V1098-F1115 HydrophobicContact CG1-CG 4.19Å; V1098-F1115 HydrophobicContact CG2-CD1 4.24Å; V1098-F1115 HydrophobicContact CG2-CE1 3.63Å; V1098-F1115 HydrophobicContact CG2-CE2 4.37Å; V1098-F1115 HydrophobicContact CG2-CZ 3.7Å; F1102-F1115 HydrophobicContact CE2-CD2 4.43Å; L1111-F1115 WeakPolarHBondContact O-CB 3.43Å; L1111-F1115 PolarHBondContact O-N 3.17Å; I1113-F1115 PolarHBondContact O-N 3.39Å; F1115-V1117 PolarHBondContact O-N 3.48Å; F1115-F1118 HydrophobicContact CD2-CB 4.48Å; F1115-F1118 AromaticContact CD2-CD2 3.95Å; F1115-F1118 HydrophobicContact CD2-CD2 3.95Å; F1115-F1118 HydrophobicContact CD2-CG 4.5Å; F1115-F1118 HydrophobicContact CE2-CB 4.14Å; F1115-F1118 HydrophobicContact CE2-CD2 4.27Å; F1115-F1118 HydrophobicContact CE2-CG 4.39Å; F1115-F1118 HydrophobicContact CG-CD2 4.5Å; F1115-F1118 HydrophobicContact CZ-CB 4.25Å; F1115-F1118 PolarHBondContact O-N 3.32Å; F1115-V1119 HydrophobicContact CD1-CG2 4.3Å; F1115-V1119 HydrophobicContact CE1-CG2 4.2Å; F1115-Y1127 HydrophobicContact CD1-CE2 4.07Å; F1115-Y1127 AromaticContact CD1-CZ 3.89Å; F1115-Y1127 WeakPolarHBondContact CD1-OH 3.36Å
1116G80.2Confident81.8Confident17 Ų1769.7 Ų69.718%0.17533%0.325CS..G310 helixtrans-57.2-15.2176.400000115I1113 R1114 K1124I1113-G1116 PolarHBondContact O-N 2.95Å; I1113-G1116 VanDerWaalsContact O-N 3.15Å; R1114-G1116 PolarHBondContact O-N 2.93Å; G1116-K1124 VanDerWaalsContact O-CE 3.29Å; G1116-K1124 WeakPolarHBondContact O-CE 3.36Å; G1116-K1124 PolarHBondContact O-NZ 2.87Å
1117V79.9Confident82.6Confident54 Ų5462.9 Ų62.933%0.32729%0.288SS..G310 helixtrans-65.8-35.1171.2178.60000112.3R1114 F1115 P1145R1114-V1117 WeakPolarHBondContact O-CG2 3.28Å; R1114-V1117 PolarHBondContact O-N 2.99Å; F1115-V1117 PolarHBondContact O-N 3.48Å; V1117-P1145 HydrophobicContact CG2-CG 3.84Å
1118F78.9Confident83.1Confident53 Ų5360.7 Ų60.723%0.23228%0.277CS..THydrogen-bonded Turntrans-83.9-10.9-176-59.4-85.2000113.7H1059 F1062 F1115H1059-F1118 HydrophobicContact CB-CE1 4.26Å; H1059-F1118 HydrophobicContact CB-CZ 4.31Å; H1059-F1118 AromaticContact CD2-CE1 3.61Å; H1059-F1118 AromaticContact CD2-CZ 3.68Å; H1059-F1118 AromaticContact CG-CE1 3.72Å; H1059-F1118 AromaticContact NE2-CE1 3.93Å; F1062-F1118 HydrophobicContact CD1-CD2 4.29Å; F1062-F1118 AromaticContact CD1-CE2 3.26Å; F1062-F1118 HydrophobicContact CD1-CE2 3.26Å; F1062-F1118 AromaticContact CD1-CZ 3.56Å; F1062-F1118 HydrophobicContact CD1-CZ 3.56Å; F1062-F1118 HydrophobicContact CE1-CD2 4.06Å; F1062-F1118 AromaticContact CE1-CE2 3.45Å; F1062-F1118 HydrophobicContact CE1-CE2 3.45Å; F1062-F1118 VanDerWaalsContact CE1-CE2 3.45Å; F1062-F1118 HydrophobicContact CE1-CZ 4.11Å; F1062-F1118 AromaticContact CG-CE2 3.93Å; F1062-F1118 HydrophobicContact CG-CE2 3.93Å; F1062-F1118 HydrophobicContact CG-CZ 4.27Å; F1062-F1118 HydrophobicContact CZ-CE2 4.26Å; F1115-F1118 HydrophobicContact CD2-CB 4.48Å; F1115-F1118 AromaticContact CD2-CD2 3.95Å; F1115-F1118 HydrophobicContact CD2-CD2 3.95Å; F1115-F1118 HydrophobicContact CD2-CG 4.5Å; F1115-F1118 HydrophobicContact CE2-CB 4.14Å; F1115-F1118 HydrophobicContact CE2-CD2 4.27Å; F1115-F1118 HydrophobicContact CE2-CG 4.39Å; F1115-F1118 HydrophobicContact CG-CD2 4.5Å; F1115-F1118 HydrophobicContact CZ-CB 4.25Å; F1115-F1118 PolarHBondContact O-N 3.32Å
1119V85.3Confident83.2Confident3 Ų365.2 Ų65.22%0.01830%0.297CS..SBendtrans-76.8129.6179.7-177.90000110.6Y1091 F1115 H1123 K1124 Y1127Y1091-V1119 HydrophobicContact CE2-CG1 4.31Å; F1115-V1119 HydrophobicContact CD1-CG2 4.3Å; F1115-V1119 HydrophobicContact CE1-CG2 4.2Å; V1119-H1123 HydrophobicContact CG1-CB 3.76Å; V1119-K1124 HydrophobicContact CB-CG 4.22Å; V1119-K1124 HydrophobicContact CG1-CG 4.16Å; V1119-K1124 WeakPolarHBondContact O-CE 3.28Å; V1119-Y1127 HydrophobicContact CG1-CG 4.46Å; V1119-Y1127 HydrophobicContact CG2-CD1 4.16Å; V1119-Y1127 HydrophobicContact CG2-CD2 3.71Å; V1119-Y1127 HydrophobicContact CG2-CE1 4.43Å; V1119-Y1127 HydrophobicContact CG2-CE2 4Å; V1119-Y1127 HydrophobicContact CG2-CG 3.81Å
1120R84.6Confident83.6Confident80 Ų8064.3 Ų64.330%0.30230%0.295SS..  trans-57.9142.8176.9-71.7178.2163.9165.72.4111.2Y1085 K1086 D1089 R1122 H1123 K1124Y1085-R1120 HydrophobicContact CE1-CG 4.21Å; Y1085-R1120 PolarHBondContact OH-N 2.91Å; K1086-R1120 PolarHBondContact O-NH2 2.85Å; D1089-R1120 WeakPolarHBondContact OD1-CD 3.44Å; D1089-R1120 IonicContact OD1-CZ 2.73Å; D1089-R1120 IonicContact OD1-NE 2.6Å; D1089-R1120 IonicContact OD1-NH1 2.63Å; D1089-R1120 PolarHBondContact OD1-NH1 3.05Å; R1120-R1122 VanDerWaalsContact C-N 3.33Å; R1120-R1122 PolarHBondContact O-N 3.22Å; R1120-R1122 VanDerWaalsContact O-N 3.14Å; R1120-H1123 PolarHBondContact O-N 3.42Å; R1120-K1124 PolarHBondContact O-N 3.37Å
1121P81.2Confident83.8Confident112 Ų11260.6 Ų60.673%0.72728%0.278SS*.Hα-helixtrans-48.5-46.8-173.5-31.336.1000114.9H1123 K1124P1121-H1123 PolarHBondContact O-N 2.71Å; P1121-K1124 PolarHBondContact O-N 3.18Å
1122R81.1Confident83.5Confident172 Ų17262.8 Ų62.865%0.64929%0.29SS*.Hα-helixtrans-57.6-21.2178.158.5161.4163-114.9-4115.3D1089 R1120D1089-R1122 IonicContact OD1-CZ 2.69Å; D1089-R1122 IonicContact OD1-NE 3.59Å; D1089-R1122 IonicContact OD1-NH2 3.24Å; D1089-R1122 PolarHBondContact OD1-NH2 2.83Å; D1089-R1122 IonicContact OD2-CZ 2.69Å; D1089-R1122 IonicContact OD2-NE 3.59Å; D1089-R1122 PolarHBondContact OD2-NE 3.28Å; D1089-R1122 IonicContact OD2-NH2 2.63Å; D1089-R1122 PolarHBondContact OD2-NH2 3.18Å; R1120-R1122 VanDerWaalsContact C-N 3.33Å; R1120-R1122 PolarHBondContact O-N 3.22Å; R1120-R1122 VanDerWaalsContact O-N 3.14Å
1123H85.3Confident83.3Confident32 Ų3266.7 Ų66.715%0.14832%0.322CS..Hα-helixtrans-107.7-5.2-179.1-59.6155000113.1Y1085 D1089 Y1091 V1119 R1120 P1121 K1125 R1126 Y1127Y1085-H1123 AromaticContact CE2-ND1 3.69Å; Y1085-H1123 AromaticContact CZ-ND1 3.76Å; Y1085-H1123 PolarHBondContact OH-ND1 3.5Å; D1089-H1123 IonicContact OD1-CE1 2.59Å; D1089-H1123 IonicContact OD2-CE1 3.23Å; D1089-H1123 PolarHBondContact OD2-CE1 3.3Å; D1089-H1123 VanDerWaalsContact OD2-CE1 3.29Å; D1089-H1123 IonicContact OD2-NE2 2.84Å; Y1091-H1123 HydrophobicContact CD2-CB 3.5Å; Y1091-H1123 AromaticContact CD2-CG 3.77Å; Y1091-H1123 AromaticContact CD2-ND1 3.88Å; Y1091-H1123 HydrophobicContact CE2-CB 3.74Å; Y1091-H1123 HydrophobicContact CG-CB 4.27Å; V1119-H1123 HydrophobicContact CG1-CB 3.76Å; R1120-H1123 PolarHBondContact O-N 3.42Å; P1121-H1123 PolarHBondContact O-N 2.71Å; H1123-K1125 VanDerWaalsContact C-N 3.32Å; H1123-K1125 PolarHBondContact O-N 3.3Å; H1123-R1126 PolarHBondContact O-N 3.3Å; H1123-Y1127 WeakPolarHBondContact O-CB 3.45Å; H1123-Y1127 PolarHBondContact O-N 3.14Å
1124K84.6Confident82.9Confident62 Ų6267.4 Ų67.427%0.2733%0.326SS..Hα-helixtrans-62.4-36.1-179.6-75.4-163.5171.3-157.50113.2G1116 V1119 R1120 P1121 Y1127 K1128G1116-K1124 VanDerWaalsContact O-CE 3.29Å; G1116-K1124 WeakPolarHBondContact O-CE 3.36Å; G1116-K1124 PolarHBondContact O-NZ 2.87Å; V1119-K1124 HydrophobicContact CB-CG 4.22Å; V1119-K1124 HydrophobicContact CG1-CG 4.16Å; V1119-K1124 WeakPolarHBondContact O-CE 3.28Å; R1120-K1124 PolarHBondContact O-N 3.37Å; P1121-K1124 PolarHBondContact O-N 3.18Å; K1124-Y1127 PolarHBondContact O-N 3.02Å; K1124-K1128 PolarHBondContact O-N 3.25Å
1125K81.9Confident82.3Confident150 Ų15066 Ų6665%0.65232%0.324SS*.Hα-helixtrans-61.6-52.9175.1-179.8170.4173.9174.70111.5H1123 Y1127 K1128 E1129H1123-K1125 VanDerWaalsContact C-N 3.32Å; H1123-K1125 PolarHBondContact O-N 3.3Å; K1125-Y1127 PolarHBondContact O-N 3.21Å; K1125-K1128 PolarHBondContact O-N 3.1Å; K1125-K1128 VanDerWaalsContact O-N 3.09Å; K1125-E1129 WeakPolarHBondContact CE-OE1 3.33Å; K1125-E1129 WeakPolarHBondContact CG-OE1 3.25Å; K1125-E1129 IonicContact NZ-OE1 3.76Å; K1125-E1129 WeakPolarHBondContact O-CG 3.47Å; K1125-E1129 PolarHBondContact O-N 3.04Å
1126R85.6Confident80.9Confident121 Ų12169.2 Ų69.246%0.45736%0.357SS..Hα-helixtrans-61.6-26.6176.9-162174.8178.3-141.9-11.5112.9Y1091 D1092 H1123 E1129 M1130Y1091-R1126 HydrophobicContact CE1-CB 4.2Å; Y1091-R1126 HydrophobicContact CE1-CG 3.75Å; Y1091-R1126 PolarHBondContact OH-O 3.47Å; Y1091-R1126 VanDerWaalsContact OH-O 3.08Å; D1092-R1126 VanDerWaalsContact CG-NH1 3.34Å; D1092-R1126 IonicContact OD1-CZ 2.68Å; D1092-R1126 VanDerWaalsContact OD1-CZ 3.24Å; D1092-R1126 IonicContact OD1-NH1 2.65Å; D1092-R1126 PolarHBondContact OD1-NH1 3.1Å; D1092-R1126 VanDerWaalsContact OD1-NH1 3.15Å; D1092-R1126 IonicContact OD1-NH2 2.67Å; D1092-R1126 PolarHBondContact OD1-NH2 3.06Å; D1092-R1126 IonicContact OD2-CZ 2.83Å; D1092-R1126 IonicContact OD2-NH1 3.15Å; D1092-R1126 PolarHBondContact OD2-NH1 2.97Å; D1092-R1126 IonicContact OD2-NH2 2.76Å; H1123-R1126 PolarHBondContact O-N 3.3Å; R1126-E1129 WeakPolarHBondContact CA-OE2 3.46Å; R1126-M1130 WeakPolarHBondContact O-CB 3.3Å; R1126-M1130 PolarHBondContact O-N 3.19Å
1127Y89.1Confident79.8Confident6 Ų675.5 Ų75.52%0.02438%0.382CS..Hα-helixtrans-77.9-38.9174.4-168.4-94.2000112.5Y1091 V1095 L1112 F1115 V1119 H1123 K1124 K1125 M1130 L1131Y1091-Y1127 HydrophobicContact CE2-CD2 4.35Å; Y1091-Y1127 WeakPolarHBondContact OH-CA 3.49Å; Y1091-Y1127 PolarHBondContact OH-N 2.95Å; V1095-Y1127 HydrophobicContact CG2-CD2 4.22Å; L1112-Y1127 WeakPolarHBondContact CD1-OH 3.3Å; L1112-Y1127 PolarHBondContact O-OH 3.4Å; F1115-Y1127 HydrophobicContact CD1-CE2 4.07Å; F1115-Y1127 AromaticContact CD1-CZ 3.89Å; F1115-Y1127 WeakPolarHBondContact CD1-OH 3.36Å; V1119-Y1127 HydrophobicContact CG1-CG 4.46Å; V1119-Y1127 HydrophobicContact CG2-CD1 4.16Å; V1119-Y1127 HydrophobicContact CG2-CD2 3.71Å; V1119-Y1127 HydrophobicContact CG2-CE1 4.43Å; V1119-Y1127 HydrophobicContact CG2-CE2 4Å; V1119-Y1127 HydrophobicContact CG2-CG 3.81Å; H1123-Y1127 WeakPolarHBondContact O-CB 3.45Å; H1123-Y1127 PolarHBondContact O-N 3.14Å; K1124-Y1127 PolarHBondContact O-N 3.02Å; K1125-Y1127 PolarHBondContact O-N 3.21Å; Y1127-M1130 HydrophobicContact CD2-CE 3.33Å; Y1127-M1130 HydrophobicContact CE1-CE 4.49Å; Y1127-M1130 HydrophobicContact CE2-CE 3.3Å; Y1127-M1130 HydrophobicContact CG-CE 3.97Å; Y1127-M1130 PolarHBondContact O-N 3.28Å; Y1127-L1131 HydrophobicContact CD1-CD1 3.88Å; Y1127-L1131 HydrophobicContact CD1-CG 4.22Å; Y1127-L1131 HydrophobicContact CE1-CD1 3.64Å; Y1127-L1131 HydrophobicContact CE1-CD2 4.44Å; Y1127-L1131 HydrophobicContact CE1-CG 3.94Å; Y1127-L1131 PolarHBondContact O-N 3.05Å
1128K83.4Confident78.3Confident106 Ų10678.5 Ų78.546%0.46140%0.403SS..Hα-helixtrans-65-45.7172.4179.7168.8-179.4174.30111.4K1124 K1125 M1130 L1131 D1132K1124-K1128 PolarHBondContact O-N 3.25Å; K1125-K1128 PolarHBondContact O-N 3.1Å; K1125-K1128 VanDerWaalsContact O-N 3.09Å; K1128-M1130 PolarHBondContact O-N 3.27Å; K1128-L1131 WeakPolarHBondContact O-CB 3.39Å; K1128-L1131 PolarHBondContact O-N 3.19Å; K1128-L1131 VanDerWaalsContact O-N 3.1Å; K1128-D1132 WeakPolarHBondContact CE-OD2 3.16Å; K1128-D1132 WeakPolarHBondContact CG-OD2 3.39Å; K1128-D1132 PolarHBondContact O-N 2.84Å
1129E82.9Confident76.9Confident103 Ų10378 Ų7848%0.48140%0.404SS..Hα-helixtrans-57.8-35.1176.6-70.5162.5168.900112K1125 R1126 A1133K1125-E1129 WeakPolarHBondContact CE-OE1 3.33Å; K1125-E1129 WeakPolarHBondContact CG-OE1 3.25Å; K1125-E1129 IonicContact NZ-OE1 3.76Å; K1125-E1129 WeakPolarHBondContact O-CG 3.47Å; K1125-E1129 PolarHBondContact O-N 3.04Å; R1126-E1129 WeakPolarHBondContact CA-OE2 3.46Å; E1129-A1133 VanDerWaalsContact O-CB 3.3Å; E1129-A1133 WeakPolarHBondContact O-CB 3.42Å; E1129-A1133 PolarHBondContact O-N 3.1Å
1130M87.9Confident74.9Confident33 Ų3381.6 Ų81.616%0.16343%0.429CS..Hα-helixtrans-74.3-39.4174.4177.4-85.3-59.600113.1V1095 V1099 R1126 Y1127 K1128 A1133 L1134V1095-M1130 HydrophobicContact CG1-CE 3.93Å; V1095-M1130 HydrophobicContact CG1-CG 4.16Å; V1095-M1130 HydrophobicContact CG1-SD 4.26Å; V1095-M1130 HydrophobicContact CG2-CE 4.26Å; V1099-M1130 HydrophobicContact CG2-CE 4.31Å; V1099-M1130 HydrophobicContact CG2-SD 3.71Å; R1126-M1130 WeakPolarHBondContact O-CB 3.3Å; R1126-M1130 PolarHBondContact O-N 3.19Å; Y1127-M1130 HydrophobicContact CD2-CE 3.33Å; Y1127-M1130 HydrophobicContact CE1-CE 4.49Å; Y1127-M1130 HydrophobicContact CE2-CE 3.3Å; Y1127-M1130 HydrophobicContact CG-CE 3.97Å; Y1127-M1130 PolarHBondContact O-N 3.28Å; K1128-M1130 PolarHBondContact O-N 3.27Å; M1130-A1133 PolarHBondContact O-N 3.09Å; M1130-L1134 HydrophobicContact CG-CD1 4.45Å; M1130-L1134 WeakPolarHBondContact O-CG 3.4Å; M1130-L1134 PolarHBondContact O-N 3.31Å; M1130-L1134 VanDerWaalsContact O-N 3.07Å; M1130-L1134 HydrophobicContact SD-CD1 3.52Å; M1130-L1134 VanDerWaalsContact SD-CD1 3.52Å; M1130-L1134 HydrophobicContact SD-CG 4.41Å
1131L83.7Confident72.8Confident16 Ų1682.2 Ų82.28%0.08445%0.451CS..Hα-helixtrans-62-50.4171.7-80.3174.4000111.9L1112 I1113 Y1127 K1128 A1133 L1134 I1135L1112-L1131 HydrophobicContact CD2-CD2 4.09Å; L1112-L1131 HydrophobicContact CG-CD2 3.87Å; I1113-L1131 HydrophobicContact CG1-CD2 4.31Å; Y1127-L1131 HydrophobicContact CD1-CD1 3.88Å; Y1127-L1131 HydrophobicContact CD1-CG 4.22Å; Y1127-L1131 HydrophobicContact CE1-CD1 3.64Å; Y1127-L1131 HydrophobicContact CE1-CD2 4.44Å; Y1127-L1131 HydrophobicContact CE1-CG 3.94Å; Y1127-L1131 PolarHBondContact O-N 3.05Å; K1128-L1131 WeakPolarHBondContact O-CB 3.39Å; K1128-L1131 PolarHBondContact O-N 3.19Å; K1128-L1131 VanDerWaalsContact O-N 3.1Å; L1131-A1133 PolarHBondContact O-N 2.9Å; L1131-L1134 PolarHBondContact O-N 3.07Å; L1131-L1134 VanDerWaalsContact O-N 3.09Å; L1131-I1135 HydrophobicContact CB-CD1 4.38Å; L1131-I1135 HydrophobicContact CD2-CD1 4.29Å; L1131-I1135 WeakPolarHBondContact O-CB 3.38Å; L1131-I1135 VanDerWaalsContact O-CG1 3.3Å; L1131-I1135 WeakPolarHBondContact O-CG1 3.5Å; L1131-I1135 PolarHBondContact O-N 3.49Å
1132D79.1Confident70.7Confident46 Ų4680.8 Ų80.825%0.24645%0.449CS..Hα-helixtrans-61.1-35.4-179.1-69.5-35000110.7K1128 G1136K1128-D1132 WeakPolarHBondContact CE-OD2 3.16Å; K1128-D1132 WeakPolarHBondContact CG-OD2 3.39Å; K1128-D1132 PolarHBondContact O-N 2.84Å; D1132-G1136 PolarHBondContact O-N 3.13Å; D1132-G1136 VanDerWaalsContact O-N 3.13Å
1133A79.6Confident68.8Low82 Ų8278.7 Ų78.768%0.67845%0.451SS*.Hα-helixtrans-71.7-29.5174.600000114.6E1129 M1130 L1131E1129-A1133 VanDerWaalsContact O-CB 3.3Å; E1129-A1133 WeakPolarHBondContact O-CB 3.42Å; E1129-A1133 PolarHBondContact O-N 3.1Å; M1130-A1133 PolarHBondContact O-N 3.09Å; L1131-A1133 PolarHBondContact O-N 2.9Å
1134L76.2Confident66.5Low78 Ų7880.2 Ų80.241%0.40847%0.465SS..Hα-helixtrans-84.2-29.2176.1-74.9176000113.4V1099 F1109 L1112 M1130 L1131V1099-L1134 HydrophobicContact CG1-CD1 4Å; V1099-L1134 HydrophobicContact CG2-CD1 4.09Å; F1109-L1134 HydrophobicContact CZ-CB 4.18Å; L1112-L1134 HydrophobicContact CD2-CD1 4.22Å; M1130-L1134 HydrophobicContact CG-CD1 4.45Å; M1130-L1134 WeakPolarHBondContact O-CG 3.4Å; M1130-L1134 PolarHBondContact O-N 3.31Å; M1130-L1134 VanDerWaalsContact O-N 3.07Å; M1130-L1134 HydrophobicContact SD-CD1 3.52Å; M1130-L1134 VanDerWaalsContact SD-CD1 3.52Å; M1130-L1134 HydrophobicContact SD-CG 4.41Å; L1131-L1134 PolarHBondContact O-N 3.07Å; L1131-L1134 VanDerWaalsContact O-N 3.09Å
1135I70.9Confident64.1Low59 Ų5981.7 Ų81.730%0.30348%0.481SS..Hα-helixtrans-88.9-24.7-176.3-66.2169.4000111.6F1109 I1113 L1131 Q1137 V1139F1109-I1135 HydrophobicContact CD1-CG1 4.32Å; F1109-I1135 HydrophobicContact CE1-CD1 4.3Å; F1109-I1135 HydrophobicContact CE1-CG1 3.65Å; F1109-I1135 HydrophobicContact CZ-CG1 4.48Å; I1113-I1135 HydrophobicContact CD1-CD1 4.07Å; I1113-I1135 HydrophobicContact CG1-CD1 4.16Å; L1131-I1135 HydrophobicContact CB-CD1 4.38Å; L1131-I1135 HydrophobicContact CD2-CD1 4.29Å; L1131-I1135 WeakPolarHBondContact O-CB 3.38Å; L1131-I1135 VanDerWaalsContact O-CG1 3.3Å; L1131-I1135 WeakPolarHBondContact O-CG1 3.5Å; L1131-I1135 PolarHBondContact O-N 3.49Å; I1135-Q1137 PolarHBondContact O-N 3.05Å; I1135-Q1137 VanDerWaalsContact O-N 3.12Å; I1135-V1139 HydrophobicContact CD1-CG2 3.82Å
1136G57.2Low61.7Low68 Ų6879.4 Ų79.470%0.70149%0.49SS*.SBendtrans72.6-0.9175.700000115.2D1132D1132-G1136 PolarHBondContact O-N 3.13Å; D1132-G1136 VanDerWaalsContact O-N 3.13Å
1137Q56.9Low59.1Low150 Ų15078 Ų7870%0.70149%0.494SS*.SBendtrans-136.1143.7169.2-66-168.66.800109.8I1135 V1139I1135-Q1137 PolarHBondContact O-N 3.05Å; I1135-Q1137 VanDerWaalsContact O-N 3.12Å; Q1137-V1139 PolarHBondContact O-N 2.9Å
1138P48.2Very low56.3Low116 Ų11683.1 Ų83.175%0.75353%0.532SS*.PPolyproline II helixtrans-67.6120179.727.8-34000110.5S1140P1138-S1140 PolarHBondContact O-N 3.22Å
1139V50.1Low53.7Low42 Ų4286.9 Ų86.926%0.25555%0.551SS.*PPolyproline II helixtrans-63.6125.5-177.5-178.20000110.5I1135 Q1137I1135-V1139 HydrophobicContact CD1-CG2 3.82Å; Q1137-V1139 PolarHBondContact O-N 2.9Å
1140S43Very low51.1Low79 Ų7991.1 Ų91.155%0.55257%0.57SS**PPolyproline II helixtrans-58.7144-179.7-175.50000111.9P1138 A1142 D1143P1138-S1140 PolarHBondContact O-N 3.22Å; S1140-A1142 PolarHBondContact O-N 3.2Å; S1140-D1143 PolarHBondContact O-N 2.62Å
1141A40.2Very low48.4Very low93 Ų9398.4 Ų98.477%0.76960%0.604SS**THydrogen-bonded Turntrans-67.90.8-176.800000114.7
1142A38.7Very low45.9Very low82 Ų82103.7 Ų103.768%0.67864%0.64SS**THydrogen-bonded Turntrans-77.5-38175.600000113.4S1140S1140-A1142 PolarHBondContact O-N 3.2Å
1143D41.4Very low43.4Very low129 Ų129107.7 Ų107.769%0.6967%0.671SS**SBendtrans-103.317.2-166.5-64.8-58.5000114.3S1140S1140-D1143 PolarHBondContact O-N 2.62Å
1144S35.8Very low40.9Very low63 Ų63108.2 Ų108.244%0.44168%0.675SS.*SBendtrans-116.4127.7176.146.80000111.6A1146S1144-A1146 PolarHBondContact O-N 2.66Å
1145P35.3Very low38.8Very low93 Ų93109.1 Ų109.160%0.60469%0.694SS**  trans-68.2121.1-175.226-33.2000110.6V1117 V1147V1117-P1145 HydrophobicContact CG2-CG 3.84Å; P1145-V1147 PolarHBondContact O-N 3.13Å
1146A29.9Very low37Very low102 Ų102112.2 Ų112.284%0.84372%0.718SS**  trans-54.7128.9-169.400000113.4S1144S1144-A1146 PolarHBondContact O-N 2.66Å
1147V30.9Very low35.6Very low91 Ų91117.3 Ų117.355%0.55273%0.728SS**  trans-119.3110.9168.8179.20000107.2P1145 E1149P1145-V1147 PolarHBondContact O-N 3.13Å; V1147-E1149 PolarHBondContact O-N 3.12Å
1148S30Very low34.2Very low115 Ų115115.4 Ų115.480%0.80473%0.731SS**  trans-72.2114.9170.1-540000109.2
1149E30.1Very low34.2Very low185 Ų185115.4 Ų115.486%0.86473%0.731SS**  trans-83.5111.7170.6-67.1-169.3137.300109.8V1147V1147-E1149 PolarHBondContact O-N 3.12Å
1150E28.8Very low33.9Very low191 Ų191118.3 Ų118.389%0.89375%0.751SS**  trans-86.9120163.1-69.2-172.8138.400109.5
1151Q29.5Very low33Very low187 Ų187121.5 Ų121.587%0.87476%0.761SS**  trans-135.6147.6156.6-82.6-153.7-17.700111.4
1152P31.2Very low32.4Very low127 Ų127125.9 Ų125.983%0.82576%0.763SS**  trans-91.4140-164.934.9-35.3000113.7
1153S26.8Very low31.8Very low129 Ų129127.2 Ų127.290%0.90276%0.763SS**  trans-91.697.416943.80000111.6
1154A28.5Very low31.1Very low93 Ų93129.8 Ų129.877%0.76977%0.771SS**PPolyproline II helixtrans-80.2149.2164.500000110.9
1155A31.9Very low30.7Very low98 Ų98131.4 Ų131.481%0.8178%0.782SS**PPolyproline II helixtrans-83.4144.1-178.400000113.1
1156P32.9Very low30.3Very low123 Ų123135.1 Ų135.180%0.79979%0.789SS**PPolyproline II helixtrans-99.8151.6167.735.6-30.2000113
1157L26.9Very low30.1Very low175 Ų175137.4 Ų137.492%0.91679%0.785SS**PPolyproline II helixtrans-89.2168.3167-67.2101.3000111.5
1158S27.4Very low29.9Very low110 Ų110138.1 Ų138.177%0.76979%0.794SS**  trans-97.1179.7171.2610000110.8
1159P48.2Very low29.6Very low116 Ų116137.2 Ų137.275%0.75379%0.788SS**  cis-117.4-136.9-4.135-12.2000109
1160P43.5Very low29.3Very low104 Ų104136.6 Ų136.668%0.67578%0.783SS**  cis-135.2-162.9-15.236.1-12.6000115.3
1161L25.9Very low29.1Very low145 Ų145136 Ų13676%0.75978%0.777SS**  trans73.9121.1169.7-57170.1000115.4
1162K26.6Very low29Very low186 Ų186131.5 Ų131.581%0.80977%0.767SS**  67130.764.7-67.4-172.5-179-1800112
1163T26.2Very low28.7Very low110 Ų110132.8 Ų132.868%0.67577%0.767SS**  cis-164.3154.317.7-10.10000112.8
1164Q27.2Very low28.8Very low182 Ų182131.6 Ų131.685%0.8576%0.759SS**  trans61.6152.4156.6-68.3171.39.500118.1
1165S27.4Very low28.7Very low97 Ų97135.9 Ų135.968%0.67876%0.763SS**  cis-161.9-157.6-17.352.50000107.4
1166K27.2Very low28.8Very low171 Ų171142.4 Ų142.474%0.74377%0.766SS**  cis-170.6147.27.9-137.6177.5-179.3179.90108.1
1167I25.6Very low28.7Very low151 Ų151145.6 Ų145.677%0.77477%0.768SS**  trans67.5144.8156.2-64.2161.8000115.8
1168S25.4Very low29Very low106 Ų106141.4 Ų141.474%0.74175%0.753SS**  cis-144.1167.4-0.135.50000112.7
1169S24Very low29.3Very low96 Ų96143.6 Ų143.667%0.67176%0.756SS**  trans-62.9163.9170.750.70000116.1
1170F23.6Very low29.7Very low171 Ų171147.4 Ų147.475%0.7578%0.781SS**  -179.7115.3117.8-113.9-106.7000111.2
1171F26.3Very low29Very low178 Ų178149.6 Ų149.678%0.78179%0.786SS**  trans47.9158.1158.6-68-105000121.5
1172S25.9Very low29.2Very low93 Ų93149.8 Ų149.865%0.6579%0.788SS**  cis-171.7154.6-35.255.10000109.7
1173N26.1Very low29.3Very low154 Ų154147.8 Ų147.882%0.82479%0.787SS**  trans5.5138.4165.1-56.9-2.4000121
1174S27.4Very low29.5Very low105 Ų105150.1 Ų150.173%0.73479%0.793SS**  cis74.986.541.7-178.60000116.7
1175E27.4Very low29.7Very low183 Ų183148.1 Ų148.186%0.85579%0.79SS**  trans-165.7135.6147.2-106.8166.4-149.300106.8
1176R32.8Very low29.8Very low234 Ų234151.5 Ų151.588%0.88380%0.797SS**  cis77.598.335.1-78.9-159.1178.3-163.12.5116.7
1177K31Very low30Very low190 Ų190150.1 Ų150.183%0.82680%0.801SS**  trans-161127.5148-95.2157.5-174.2173.80105
1178S34Very low30.4Very low88 Ų88150 Ų15062%0.61580%0.803SS**  54.1121.56373.30000113
1179D34.1Very low30.8Very low155 Ų155153.7 Ų153.783%0.82981%0.808SS**  cis-160177.3-1.5-87.7-30.8000106.1
1180P56.5Low31.4Very low197 Ų197158.9 Ų158.9100%1.27982%0.821SS**  cis-119.80242.5-29.2000115.6

Retrieved 1,180 of 1,180 residues in 1483.4 ms (Link to these results)

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