A0A5K4FAI5_SCHMA Loading...

tRNA(His) guanylyltransferase

Adds a GMP to the 5'-end of tRNA(His) after transcription and RNase P cleavage. This step is essential for proper recognition of the tRNA and for the fidelity of protein synthesis. Also functions as a guanyl-nucleotide exchange factor/GEF for the MFN1 and MFN2 mitofusins thereby regulating mitochondrial fusion. By regulating both mitochondrial dynamics and bioenergetic function, it contributes to cell survival following oxidative stress.

AlphaFold DB , UniProt , Accession A0A5K4FAI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M49.7Very low83.5Confident238 Ų238134.2 Ų134.2100%1.17267%0.666SS**  0121.40-83.6-176.1-88.400108K3M1-K3 PolarHBondContact O-N 3.01Å; M1-K3 VanDerWaalsContact O-N 3.15Å
2A55.6Low84.6Confident105 Ų105136.4 Ų136.487%0.86867%0.669SS**  trans-64111.9172.100000108S4A2-S4 PolarHBondContact O-N 3.22Å; A2-S4 VanDerWaalsContact O-N 3.1Å
3K67.7Low85.4Confident179 Ų179135.8 Ų135.878%0.77866%0.664SS**  trans-68.3108.8172.8-73.4-171.4175.5-176.20107.3M1M1-K3 PolarHBondContact O-N 3.01Å; M1-K3 VanDerWaalsContact O-N 3.15Å
4S86.5Confident86Confident64 Ų64135.1 Ų135.145%0.44867%0.672SS.*  trans-58.8136174.3174.70000108.9A2 Y6 E7A2-S4 PolarHBondContact O-N 3.22Å; A2-S4 VanDerWaalsContact O-N 3.1Å; S4-Y6 PolarHBondContact O-N 3.1Å; S4-Y6 WeakPolarHBondContact OG-CD2 3.47Å; S4-Y6 PolarHBondContact OG-N 3.15Å; S4-E7 WeakPolarHBondContact O-CB 3.32Å; S4-E7 PolarHBondContact O-N 2.99Å
5I91.5Very high86.2Confident133 Ų133133.2 Ų133.268%0.68267%0.67SS**THydrogen-bonded Turntrans-59.4-14.8172.861170.7000112.6Y8I5-Y8 WeakPolarHBondContact O-CD1 3.34Å
6Y94.3Very high86.9Confident158 Ų158127.9 Ų127.962%0.6265%0.645SS**THydrogen-bonded Turntrans-90.9-4.3177.8-51.4-63000113.6S4 Y8 V9S4-Y6 PolarHBondContact O-N 3.1Å; S4-Y6 WeakPolarHBondContact OG-CD2 3.47Å; S4-Y6 PolarHBondContact OG-N 3.15Å; Y6-Y8 PolarHBondContact O-N 3.07Å; Y6-Y8 VanDerWaalsContact O-N 3.13Å; Y6-V9 VanDerWaalsContact O-CG2 3.28Å; Y6-V9 WeakPolarHBondContact O-CG2 3.35Å; Y6-V9 PolarHBondContact O-N 3.22Å
7E94.5Very high87.5Confident88 Ų88125.5 Ų125.541%0.41164%0.64SS.*G310 helixtrans-61.3-25.7-174.9-173.4172-165.100113.3S4 V9 R10S4-E7 WeakPolarHBondContact O-CB 3.32Å; S4-E7 PolarHBondContact O-N 2.99Å; E7-V9 PolarHBondContact O-N 3.13Å; E7-V9 VanDerWaalsContact O-N 3.07Å; E7-R10 WeakPolarHBondContact O-CB 3.28Å; E7-R10 PolarHBondContact O-N 3.15Å; E7-R10 VanDerWaalsContact O-N 3.12Å
8Y95.1Very high88.1Confident138 Ų138119 Ų11954%0.54161%0.607SS.*G310 helixtrans-58-24.2179.980-84.5000113.7I5 Y6 R10 N11 F12I5-Y8 WeakPolarHBondContact O-CD1 3.34Å; Y6-Y8 PolarHBondContact O-N 3.07Å; Y6-Y8 VanDerWaalsContact O-N 3.13Å; Y8-R10 PolarHBondContact O-N 3.27Å; Y8-N11 WeakPolarHBondContact O-CB 3.42Å; Y8-N11 PolarHBondContact O-N 3.09Å; Y8-N11 VanDerWaalsContact O-N 3.09Å; Y8-F12 HydrophobicContact CD2-CE2 4.06Å; Y8-F12 HydrophobicContact CE2-CE2 4.15Å
9V95.9Very high88.6Confident77 Ų77118.6 Ų118.647%0.46761%0.606SS.*G310 helixtrans-64.3-23.2179.8-55.20000112.6Y6 E7 N11 F12Y6-V9 VanDerWaalsContact O-CG2 3.28Å; Y6-V9 WeakPolarHBondContact O-CG2 3.35Å; Y6-V9 PolarHBondContact O-N 3.22Å; E7-V9 PolarHBondContact O-N 3.13Å; E7-V9 VanDerWaalsContact O-N 3.07Å; V9-N11 PolarHBondContact O-N 3.37Å; V9-F12 WeakPolarHBondContact O-CD2 3.48Å; V9-F12 PolarHBondContact O-N 3.23Å
10R93.2Very high89Confident155 Ų155117.3 Ų117.359%0.58561%0.606SS**G310 helixtrans-66.2-22.9176.1-63-17670.1-164.50.3112.7E7 Y8 F12 E13E7-R10 WeakPolarHBondContact O-CB 3.28Å; E7-R10 PolarHBondContact O-N 3.15Å; E7-R10 VanDerWaalsContact O-N 3.12Å; Y8-R10 PolarHBondContact O-N 3.27Å; R10-F12 PolarHBondContact O-N 3.23Å; R10-E13 WeakPolarHBondContact O-CB 3.41Å; R10-E13 PolarHBondContact O-N 3.12Å; R10-E13 VanDerWaalsContact O-N 3.15Å
11N94.6Very high89.3Confident141 Ų141116 Ų11675%0.75461%0.607SS**G310 helixtrans-70.3-11.3178.2-62.4-23.1000112.9Y8 V9Y8-N11 WeakPolarHBondContact O-CB 3.42Å; Y8-N11 PolarHBondContact O-N 3.09Å; Y8-N11 VanDerWaalsContact O-N 3.09Å; V9-N11 PolarHBondContact O-N 3.37Å
12F96.1Very high91.6Very high161 Ų161104.9 Ų104.971%0.70655%0.553SS**G310 helixtrans-86.4-9.3174.1-66.1-96.2000112.8Y8 V9 R10 T14Y8-F12 HydrophobicContact CD2-CE2 4.06Å; Y8-F12 HydrophobicContact CE2-CE2 4.15Å; V9-F12 WeakPolarHBondContact O-CD2 3.48Å; V9-F12 PolarHBondContact O-N 3.23Å; R10-F12 PolarHBondContact O-N 3.23Å; F12-T14 PolarHBondContact O-N 3.29Å
13E95.3Very high93.6Very high128 Ų128100.1 Ų100.160%0.59851%0.512SS*.PPolyproline II helixtrans-67125.3174.5-66.9179.5-142.300110R10R10-E13 WeakPolarHBondContact O-CB 3.41Å; R10-E13 PolarHBondContact O-N 3.12Å; R10-E13 VanDerWaalsContact O-N 3.15Å
14T93.3Very high95.1Very high127 Ų12791.6 Ų91.678%0.77948%0.475SS*.PPolyproline II helixtrans-82.7127173-58.70000109.4F12F12-T14 PolarHBondContact O-N 3.29Å
15V90.2Very high95.6Very high106 Ų10688.6 Ų88.664%0.64245%0.454SS*.PPolyproline II helixtrans-86.7131.8171-167.20000108.5P17 R92V15-P17 VanDerWaalsContact C-CD 3.47Å; V15-P17 WeakPolarHBondContact O-CD 3.42Å; V15-R92 HydrophobicContact CG1-CG 4.42Å
16D96.8Very high96Very high49 Ų4982.2 Ų82.226%0.26242%0.421SS..  trans-126.362.2-171.361.6-24.1000112.3C18 R92 A93 S94D16-C18 PolarHBondContact O-N 3.23Å; D16-R92 WeakPolarHBondContact O-CA 3.46Å; D16-A93 PolarHBondContact O-N 3.04Å; D16-S94 PolarHBondContact OD1-OG 2.71Å; D16-S94 WeakPolarHBondContact OD2-CA 3.4Å; D16-S94 WeakPolarHBondContact OD2-CB 3.06Å; D16-S94 PolarHBondContact OD2-N 3.04Å; D16-S94 PolarHBondContact OD2-OG 2.91Å
17P97.1Very high96.2Very high86 Ų8676.2 Ų76.256%0.55840%0.398SS*.BIsolated β-bridgetrans-71.8132.6-178.632.1-31.6000110.6V15V15-P17 VanDerWaalsContact C-CD 3.47Å; V15-P17 WeakPolarHBondContact O-CD 3.42Å
18C98.1Very high96.4Very high9 Ų972 Ų726%0.06138%0.378CS..PPolyproline II helixtrans-68.6142.5170.2-58.90000110.1D16 I24 R91 L133D16-C18 PolarHBondContact O-N 3.23Å; C18-I24 HydrophobicContact CB-CD1 3.78Å; C18-I24 HydrophobicContact CB-CG1 4.05Å; C18-R91 HydrophobicContact CB-CB 4.12Å; C18-R91 WeakPolarHBondContact CB-O 3.36Å; C18-R91 PolarHBondContact N-O 3.15Å; C18-R91 PolarHBondContact O-NE 2.81Å; C18-R91 VanDerWaalsContact O-NE 3.17Å; C18-R91 PolarHBondContact SG-O 3.49Å; C18-L133 HydrophobicContact CB-CD1 3.97Å; C18-L133 HydrophobicContact CB-CD2 3.64Å; C18-L133 HydrophobicContact CB-CG 4.46Å
19L97.8Very high96.6Very high112 Ų11267.4 Ų67.459%0.58636%0.363SS*.PPolyproline II helixtrans-49.9131.8178.4-172.166.7000110.8T22 R91 L133L19-T22 HydrophobicContact CB-CG2 3.91Å; L19-T22 HydrophobicContact CD2-CG2 3.72Å; L19-T22 HydrophobicContact CG-CG2 3.94Å; L19-T22 PolarHBondContact O-OG1 2.8Å; L19-R91 PolarHBondContact O-NE 3.17Å; L19-R91 PolarHBondContact O-NH2 2.79Å; L19-L133 HydrophobicContact CB-CD1 3.96Å
20P96.7Very high96.7Very high91 Ų9164 Ų6459%0.59134%0.343SS*.THydrogen-bonded Turntrans-59155.1175.9-26.136.2000112.7T22P20-T22 PolarHBondContact O-N 3.35Å
21S94.8Very high96.9Very high90 Ų9061.8 Ų61.863%0.62934%0.339SS*.THydrogen-bonded Turntrans56.821.5176.8-550000115.4
22T97.4Very high96.9Very high6 Ų659.7 Ų59.74%0.03734%0.336CS..SBendtrans-108.8150.3169.569.20000111L19 P20 K84 R91L19-T22 HydrophobicContact CB-CG2 3.91Å; L19-T22 HydrophobicContact CD2-CG2 3.72Å; L19-T22 HydrophobicContact CG-CG2 3.94Å; L19-T22 PolarHBondContact O-OG1 2.8Å; P20-T22 PolarHBondContact O-N 3.35Å; T22-K84 WeakPolarHBondContact O-CA 3.46Å; T22-R91 PolarHBondContact O-NH2 2.87Å; T22-R91 PolarHBondContact OG1-NH2 3.39Å
23W98.3Very high96.9Very high5 Ų552.6 Ų52.62%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-59.6141.5163.9-62.8107.3000109.4V69 V81 F82 K84 L133 Y134 N137 L140 I238 L239W23-V69 HydrophobicContact CZ3-CG2 4Å; W23-V81 HydrophobicContact CD2-CG1 4.5Å; W23-V81 HydrophobicContact CE3-CG1 3.7Å; W23-V81 HydrophobicContact CZ3-CG1 4.15Å; W23-F82 VanDerWaalsContact CE3-O 3.28Å; W23-K84 HydrophobicContact CD2-CD 4.45Å; W23-K84 HydrophobicContact CD2-CG 3.47Å; W23-K84 VanDerWaalsContact CD2-CG 3.47Å; W23-K84 VanDerWaalsContact CE2-CE 3.42Å; W23-K84 VanDerWaalsContact CE2-CG 3.42Å; W23-K84 HydrophobicContact CE3-CG 3.98Å; W23-K84 HydrophobicContact CG-CG 3.82Å; W23-K84 HydrophobicContact CH2-CG 4.25Å; W23-K84 HydrophobicContact CZ2-CD 4.25Å; W23-K84 HydrophobicContact CZ2-CG 3.82Å; W23-K84 HydrophobicContact CZ3-CG 4.35Å; W23-L133 WeakPolarHBondContact O-CA 3.48Å; W23-Y134 WeakPolarHBondContact CB-O 3.22Å; W23-Y134 PolarHBondContact N-O 2.75Å; W23-Y134 PolarHBondContact O-N 2.79Å; W23-Y134 VanDerWaalsContact O-N 3.14Å; W23-N137 WeakPolarHBondContact CZ2-OD1 3.45Å; W23-N137 PolarHBondContact NE1-OD1 3.06Å; W23-L140 HydrophobicContact CD2-CD2 3.43Å; W23-L140 VanDerWaalsContact CD2-CD2 3.43Å; W23-L140 HydrophobicContact CD2-CG 4.45Å; W23-L140 HydrophobicContact CE3-CD2 3.73Å; W23-L140 HydrophobicContact CG-CB 4.06Å; W23-L140 HydrophobicContact CG-CD2 3.79Å; W23-L140 HydrophobicContact CG-CG 4.35Å; W23-L140 HydrophobicContact CH2-CD2 4.29Å; W23-L140 HydrophobicContact CZ2-CD2 3.98Å; W23-L140 HydrophobicContact CZ3-CD2 4.14Å; W23-I238 WeakPolarHBondContact CH2-O 3.3Å; W23-L239 WeakPolarHBondContact CH2-O 3.45Å; W23-L239 HydrophobicContact CZ2-CB 4.46Å; W23-L239 HydrophobicContact CZ2-CD2 4.15Å; W23-L239 WeakPolarHBondContact CZ2-O 3.4Å
24I98.6Very high96.9Very high0 Ų053.3 Ų53.30%031%0.308CS..EExtended strand (participates in β ladder)trans-113.8118.1170.5-56.1171.5000106.6C18 F82 T86 I96 V131 L133C18-I24 HydrophobicContact CB-CD1 3.78Å; C18-I24 HydrophobicContact CB-CG1 4.05Å; I24-F82 HydrophobicContact CB-CB 4.14Å; I24-F82 PolarHBondContact O-N 3.37Å; I24-T86 HydrophobicContact CD1-CG2 3.91Å; I24-I96 HydrophobicContact CD1-CD1 3.82Å; I24-I96 HydrophobicContact CG2-CD1 4.46Å; I24-I96 HydrophobicContact CG2-CG2 4.36Å; I24-V131 HydrophobicContact CG2-CG1 3.6Å; I24-L133 HydrophobicContact CB-CD2 4.28Å; I24-L133 HydrophobicContact CG1-CD2 3.78Å; I24-L133 HydrophobicContact CG2-CD2 4.32Å
25V98.9Very high97.1Very high0 Ų053.5 Ų53.50%030%0.298CS..EExtended strand (participates in β ladder)trans-107.6123.8174.1178.30000108.9F80 V81 V131 I132 Y134 L140 Y143V25-F80 CarbonylContact C-O 3.6Å; V25-F80 VanDerWaalsContact CA-O 3.31Å; V25-F80 WeakPolarHBondContact CA-O 3.45Å; V25-V81 HydrophobicContact CG2-CG2 4.25Å; V25-V131 CarbonylContact O-C 3.59Å; V25-V131 WeakPolarHBondContact O-CA 3.4Å; V25-I132 PolarHBondContact N-O 2.88Å; V25-I132 PolarHBondContact O-N 3.23Å; V25-Y134 HydrophobicContact CB-CD2 4.4Å; V25-Y134 HydrophobicContact CB-CE2 4.19Å; V25-Y134 HydrophobicContact CG2-CD2 3.66Å; V25-Y134 HydrophobicContact CG2-CE2 3.8Å; V25-L140 HydrophobicContact CG2-CD1 3.75Å; V25-Y143 HydrophobicContact CG1-CD1 4.28Å; V25-Y143 HydrophobicContact CG1-CE1 3.55Å; V25-Y143 HydrophobicContact CG2-CD1 4.47Å
26V98.9Very high97.5Very high0 Ų048.6 Ų48.60%027%0.268CS..EExtended strand (participates in β ladder)trans-102.5114.5168.9-173.50000108.1L28 S79 F80 F82 I96 V100 R130 V131V26-L28 HydrophobicContact CG1-CD2 4.05Å; V26-S79 CarbonylContact O-C 3.5Å; V26-S79 WeakPolarHBondContact O-CA 3.46Å; V26-F80 HydrophobicContact CB-CB 4.46Å; V26-F80 PolarHBondContact N-O 3.24Å; V26-F80 PolarHBondContact O-N 3.18Å; V26-F82 HydrophobicContact CG2-CD2 4.31Å; V26-F82 HydrophobicContact CG2-CE2 3.81Å; V26-I96 HydrophobicContact CG2-CG2 3.46Å; V26-I96 VanDerWaalsContact CG2-CG2 3.46Å; V26-V100 HydrophobicContact CB-CG1 4.23Å; V26-V100 HydrophobicContact CG1-CB 4.06Å; V26-V100 HydrophobicContact CG1-CG1 3.81Å; V26-V100 HydrophobicContact CG2-CG2 4.36Å; V26-R130 WeakPolarHBondContact CA-O 3.33Å; V26-V131 HydrophobicContact CG2-CG2 4.36Å
27R98.9Very high97.5Very high32 Ų3247 Ų4712%0.12126%0.26CS..EExtended strand (participates in β ladder)trans-100.2130.8172.9-163.8-177.395-178.315.6109.8D29 E77 F78 S129 R130 I132 Y143R27-D29 IonicContact CZ-OD2 3.54Å; R27-D29 IonicContact NH2-OD2 2.94Å; R27-D29 PolarHBondContact NH2-OD2 3.15Å; R27-E77 IonicContact CZ-OE2 3.49Å; R27-E77 IonicContact NE-OE2 2.7Å; R27-F78 WeakPolarHBondContact CA-O 3.46Å; R27-S129 WeakPolarHBondContact O-CA 3.41Å; R27-R130 HydrophobicContact CB-CG 4.07Å; R27-R130 PolarHBondContact N-O 3.01Å; R27-R130 PolarHBondContact O-N 3.06Å; R27-I132 HydrophobicContact CB-CD1 4.39Å; R27-Y143 WeakPolarHBondContact CD-OH 3.36Å
28L98.8Very high97.5Very high0 Ų046.7 Ų46.70%026%0.256CS..EExtended strand (participates in β ladder)trans-107.4144.5171.5-52.2-171.3000109.8V26 E77 F78 F80 V100 V101 F104 D128 S129V26-L28 HydrophobicContact CG1-CD2 4.05Å; L28-E77 WeakPolarHBondContact O-CA 3.42Å; L28-E77 WeakPolarHBondContact O-CB 3.31Å; L28-F78 PolarHBondContact N-O 2.9Å; L28-F78 PolarHBondContact O-N 2.91Å; L28-F78 VanDerWaalsContact O-N 3.07Å; L28-F80 HydrophobicContact CD1-CD2 4.46Å; L28-F80 HydrophobicContact CD1-CE2 3.66Å; L28-F80 HydrophobicContact CD1-CZ 4.48Å; L28-F80 HydrophobicContact CG-CD2 4.35Å; L28-F80 HydrophobicContact CG-CE2 3.92Å; L28-V100 HydrophobicContact CD1-CG1 4.11Å; L28-V100 HydrophobicContact CD2-CG1 4.16Å; L28-V100 HydrophobicContact CG-CG1 4.31Å; L28-V101 HydrophobicContact CD2-CB 3.7Å; L28-V101 HydrophobicContact CD2-CG2 3.84Å; L28-F104 HydrophobicContact CD1-CB 3.45Å; L28-F104 VanDerWaalsContact CD1-CB 3.45Å; L28-F104 HydrophobicContact CD1-CD1 3.82Å; L28-F104 HydrophobicContact CD1-CD2 4.04Å; L28-F104 HydrophobicContact CD1-CG 3.49Å; L28-F104 VanDerWaalsContact CD1-CG 3.49Å; L28-D128 WeakPolarHBondContact CA-O 3.13Å; L28-S129 VanDerWaalsContact CD2-CB 3.4Å
29D98.6Very high97.5Very high41 Ų4151.9 Ų51.922%0.21928%0.278CS..EExtended strand (participates in β ladder)trans-141.3137.8179.7-153.5-61.9000110.1R27 Q31 F127 D128R27-D29 IonicContact CZ-OD2 3.54Å; R27-D29 IonicContact NH2-OD2 2.94Å; R27-D29 PolarHBondContact NH2-OD2 3.15Å; D29-Q31 PolarHBondContact O-N 3.24Å; D29-F127 CarbonylContact O-C 3.57Å; D29-F127 VanDerWaalsContact O-CA 3.23Å; D29-F127 WeakPolarHBondContact O-CA 3.21Å; D29-D128 WeakPolarHBondContact CB-OD1 3.31Å; D29-D128 PolarHBondContact N-O 3.01Å; D29-D128 PolarHBondContact N-OD1 3.42Å; D29-D128 VanDerWaalsContact N-OD1 3.1Å; D29-D128 PolarHBondContact O-N 2.95Å
30G98.1Very high97.5Very high6 Ų646.6 Ų46.66%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-70120.4-176.700000112.6S32 F33 D76G30-S32 PolarHBondContact O-N 2.85Å; G30-F33 PolarHBondContact O-N 2.63Å; G30-D76 PolarHBondContact N-O 3.24Å
31Q97.9Very high97.6Very high107 Ų10748 Ų4850%0.525%0.253SS..THydrogen-bonded Turntrans-73.4118.2-179.4-65-173.418.700111.4D29 F33 A126 F127 D128D29-Q31 PolarHBondContact O-N 3.24Å; Q31-F33 PolarHBondContact O-N 3.07Å; Q31-A126 HydrophobicContact CB-CB 4.12Å; Q31-A126 WeakPolarHBondContact CB-O 3.43Å; Q31-A126 HydrophobicContact CG-CB 4.23Å; Q31-A126 PolarHBondContact N-O 3.09Å; Q31-F127 PolarHBondContact NE2-O 3.35Å; Q31-D128 HydrophobicContact CG-CB 4.38Å
32S94.6Very high97.7Very high97 Ų9744.9 Ų44.968%0.67823%0.228SC*.THydrogen-bonded Turntrans53.538-178.3-58.10000112.6G30 H34 K35 F36G30-S32 PolarHBondContact O-N 2.85Å; S32-H34 PolarHBondContact O-N 2.7Å; S32-K35 PolarHBondContact O-N 2.84Å; S32-F36 PolarHBondContact O-N 3.28Å
33F96Very high97.7Very high13 Ų1349.3 Ų49.36%0.05725%0.251CS..Hα-helixtrans-65.3-24-171-127.5-115.9000113.2G30 Q31 K35 F36 T37 D76 Y108 P125 F127G30-F33 PolarHBondContact O-N 2.63Å; Q31-F33 PolarHBondContact O-N 3.07Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.41Å; F33-F36 HydrophobicContact CD1-CD1 4.31Å; F33-F36 HydrophobicContact CD2-CB 4.13Å; F33-F36 HydrophobicContact CD2-CD1 4.32Å; F33-F36 HydrophobicContact CD2-CG 4.29Å; F33-F36 AromaticContact CE1-CD1 3.93Å; F33-F36 HydrophobicContact CE1-CD1 3.93Å; F33-F36 HydrophobicContact CE1-CE1 4.36Å; F33-F36 HydrophobicContact CE2-CB 4.47Å; F33-F36 AromaticContact CE2-CD1 3.93Å; F33-F36 HydrophobicContact CE2-CD1 3.93Å; F33-F36 HydrophobicContact CE2-CE1 4.37Å; F33-F36 HydrophobicContact CE2-CG 4.13Å; F33-F36 HydrophobicContact CG-CB 4.3Å; F33-F36 AromaticContact CZ-CD1 3.73Å; F33-F36 HydrophobicContact CZ-CD1 3.73Å; F33-F36 AromaticContact CZ-CE1 3.94Å; F33-F36 HydrophobicContact CZ-CE1 3.94Å; F33-F36 HydrophobicContact CZ-CG 4.39Å; F33-F36 CarbonylContact O-C 3.43Å; F33-F36 WeakPolarHBondContact O-CA 3.44Å; F33-F36 WeakPolarHBondContact O-CB 3.33Å; F33-F36 PolarHBondContact O-N 2.97Å; F33-F36 VanDerWaalsContact O-N 3.07Å; F33-T37 HydrophobicContact CD1-CG2 3.96Å; F33-T37 VanDerWaalsContact O-CG2 3.31Å; F33-T37 WeakPolarHBondContact O-CG2 3.18Å; F33-T37 PolarHBondContact O-N 2.84Å; F33-T37 PolarHBondContact O-OG1 2.79Å; F33-D76 HydrophobicContact CB-CB 3.9Å; F33-D76 WeakPolarHBondContact CB-OD2 3.47Å; F33-D76 HydrophobicContact CD1-CB 3.33Å; F33-D76 HydrophobicContact CE1-CB 3.94Å; F33-D76 HydrophobicContact CG-CB 3.7Å; F33-Y108 HydrophobicContact CZ-CE1 4.47Å; F33-Y108 HydrophobicContact CZ-CE2 4.3Å; F33-Y108 AromaticContact CZ-CZ 3.87Å; F33-P125 HydrophobicContact CE2-CB 4.26Å; F33-F127 HydrophobicContact CE2-CE1 4.03Å; F33-F127 HydrophobicContact CE2-CE2 4.49Å; F33-F127 AromaticContact CE2-CZ 3.75Å; F33-F127 HydrophobicContact CE2-CZ 3.75Å; F33-F127 HydrophobicContact CZ-CE1 4.19Å; F33-F127 AromaticContact CZ-CZ 3.81Å; F33-F127 HydrophobicContact CZ-CZ 3.81Å
34H95.8Very high97.7Very high142 Ų14251.5 Ų51.566%0.65726%0.261SS*.Hα-helixtrans-52.6-51169.7-171.781.4000111.8S32 F36 T37 T38S32-H34 PolarHBondContact O-N 2.7Å; H34-F36 VanDerWaalsContact C-N 3.33Å; H34-F36 PolarHBondContact O-N 2.95Å; H34-T37 PolarHBondContact O-N 3.14Å; H34-T37 PolarHBondContact O-OG1 2.9Å; H34-T38 PolarHBondContact O-N 3.23Å; H34-T38 VanDerWaalsContact O-N 3.09Å; H34-T38 PolarHBondContact O-OG1 3.07Å; H34-T38 VanDerWaalsContact O-OG1 3.06Å
35K97.2Very high97.6Very high132 Ų13253.3 Ų53.357%0.57427%0.273SS*.Hα-helixtrans-63.4-39175.9-177-178.7177.7-176.80111.8S32 F33 T38 K39S32-K35 PolarHBondContact O-N 2.84Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.41Å; K35-T38 PolarHBondContact O-N 2.9Å; K35-K39 HydrophobicContact CG-CG 4.34Å; K35-K39 WeakPolarHBondContact O-CB 3.2Å; K35-K39 VanDerWaalsContact O-CG 3.31Å; K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 2.7Å
36F98.2Very high97.6Very high2 Ų255 Ų551%0.00928%0.281CS..Hα-helixtrans-61-51.1177.8-175.2-91.7000111.8S32 F33 H34 T38 K39 H40 F42 Y108 W112 L121 Y123 P125S32-F36 PolarHBondContact O-N 3.28Å; F33-F36 HydrophobicContact CD1-CD1 4.31Å; F33-F36 HydrophobicContact CD2-CB 4.13Å; F33-F36 HydrophobicContact CD2-CD1 4.32Å; F33-F36 HydrophobicContact CD2-CG 4.29Å; F33-F36 AromaticContact CE1-CD1 3.93Å; F33-F36 HydrophobicContact CE1-CD1 3.93Å; F33-F36 HydrophobicContact CE1-CE1 4.36Å; F33-F36 HydrophobicContact CE2-CB 4.47Å; F33-F36 AromaticContact CE2-CD1 3.93Å; F33-F36 HydrophobicContact CE2-CD1 3.93Å; F33-F36 HydrophobicContact CE2-CE1 4.37Å; F33-F36 HydrophobicContact CE2-CG 4.13Å; F33-F36 HydrophobicContact CG-CB 4.3Å; F33-F36 AromaticContact CZ-CD1 3.73Å; F33-F36 HydrophobicContact CZ-CD1 3.73Å; F33-F36 AromaticContact CZ-CE1 3.94Å; F33-F36 HydrophobicContact CZ-CE1 3.94Å; F33-F36 HydrophobicContact CZ-CG 4.39Å; F33-F36 CarbonylContact O-C 3.43Å; F33-F36 WeakPolarHBondContact O-CA 3.44Å; F33-F36 WeakPolarHBondContact O-CB 3.33Å; F33-F36 PolarHBondContact O-N 2.97Å; F33-F36 VanDerWaalsContact O-N 3.07Å; H34-F36 VanDerWaalsContact C-N 3.33Å; H34-F36 PolarHBondContact O-N 2.95Å; F36-T38 VanDerWaalsContact C-N 3.34Å; F36-T38 PolarHBondContact O-N 2.97Å; F36-K39 PolarHBondContact O-N 3.09Å; F36-H40 AromaticContact CD1-ND1 3.97Å; F36-H40 AromaticContact CD2-CE1 3.5Å; F36-H40 AromaticContact CD2-ND1 3.66Å; F36-H40 AromaticContact CE1-ND1 3.91Å; F36-H40 AromaticContact CE2-CE1 3.23Å; F36-H40 WeakPolarHBondContact CE2-CE1 3.39Å; F36-H40 AromaticContact CE2-ND1 3.59Å; F36-H40 AromaticContact CG-ND1 3.84Å; F36-H40 AromaticContact CZ-CE1 3.69Å; F36-H40 AromaticContact CZ-ND1 3.71Å; F36-H40 PolarHBondContact O-N 3.34Å; F36-H40 PolarHBondContact O-ND1 3.39Å; F36-F42 HydrophobicContact CD1-CZ 4.4Å; F36-F42 HydrophobicContact CE1-CE1 4.34Å; F36-F42 HydrophobicContact CE1-CZ 4.03Å; F36-Y108 HydrophobicContact CE1-CE1 4.22Å; F36-Y108 HydrophobicContact CZ-CE1 4.12Å; F36-W112 AromaticContact CE1-CH2 3.87Å; F36-W112 HydrophobicContact CE1-CH2 3.87Å; F36-W112 AromaticContact CE1-CZ3 3.64Å; F36-W112 HydrophobicContact CE1-CZ3 3.64Å; F36-W112 HydrophobicContact CZ-CE3 4.35Å; F36-W112 AromaticContact CZ-CH2 3.73Å; F36-W112 HydrophobicContact CZ-CH2 3.73Å; F36-W112 AromaticContact CZ-CZ3 3.47Å; F36-W112 HydrophobicContact CZ-CZ3 3.47Å; F36-W112 VanDerWaalsContact CZ-CZ3 3.47Å; F36-L121 HydrophobicContact CE2-CD1 3.81Å; F36-L121 HydrophobicContact CZ-CD1 3.67Å; F36-Y123 WeakPolarHBondContact CA-OH 3.38Å; F36-Y123 HydrophobicContact CD2-CD2 4.45Å; F36-Y123 HydrophobicContact CD2-CE1 4.49Å; F36-Y123 AromaticContact CD2-CE2 3.68Å; F36-Y123 HydrophobicContact CD2-CE2 3.68Å; F36-Y123 AromaticContact CD2-CZ 3.71Å; F36-Y123 HydrophobicContact CE2-CE2 4.35Å; F36-Y123 PolarHBondContact N-OH 3.09Å; F36-P125 HydrophobicContact CD2-CB 4.23Å; F36-P125 HydrophobicContact CE2-CB 3.78Å; F36-P125 HydrophobicContact CE2-CG 4.36Å; F36-P125 HydrophobicContact CZ-CB 4.16Å; F36-P125 HydrophobicContact CZ-CG 4.49Å
37T97.7Very high97.6Very high16 Ų1655.3 Ų55.310%0.09828%0.284CS..Hα-helixtrans-62.6-39.4179.265.40000112F33 H34 N41 F42 K44F33-T37 HydrophobicContact CD1-CG2 3.96Å; F33-T37 VanDerWaalsContact O-CG2 3.31Å; F33-T37 WeakPolarHBondContact O-CG2 3.18Å; F33-T37 PolarHBondContact O-N 2.84Å; F33-T37 PolarHBondContact O-OG1 2.79Å; H34-T37 PolarHBondContact O-N 3.14Å; H34-T37 PolarHBondContact O-OG1 2.9Å; T37-N41 PolarHBondContact O-N 2.99Å; T37-F42 HydrophobicContact CG2-CB 4.37Å; T37-F42 HydrophobicContact CG2-CD2 3.42Å; T37-F42 VanDerWaalsContact CG2-CD2 3.42Å; T37-F42 HydrophobicContact CG2-CE2 3.78Å; T37-F42 HydrophobicContact CG2-CG 3.93Å; T37-F42 PolarHBondContact O-N 2.73Å; T37-K44 PolarHBondContact OG1-NZ 3.32Å
38T97Very high97.5Very high79 Ų7956.9 Ų56.949%0.48530%0.296SS..Hα-helixtrans-64.4-44.6174.6-560000112.1H34 K35 F36 H40 N41H34-T38 PolarHBondContact O-N 3.23Å; H34-T38 VanDerWaalsContact O-N 3.09Å; H34-T38 PolarHBondContact O-OG1 3.07Å; H34-T38 VanDerWaalsContact O-OG1 3.06Å; K35-T38 PolarHBondContact O-N 2.9Å; F36-T38 VanDerWaalsContact C-N 3.34Å; F36-T38 PolarHBondContact O-N 2.97Å; T38-H40 VanDerWaalsContact C-N 3.28Å; T38-H40 PolarHBondContact O-N 3.33Å; T38-N41 PolarHBondContact O-N 3.34Å
39K97.8Very high97.5Very high119 Ų11960.3 Ų60.352%0.51731%0.31SS..Hα-helixtrans-69.3-26.2-178-74.3-66.5-176.8-174.60113.4K35 F36 L122 Y123K35-K39 HydrophobicContact CG-CG 4.34Å; K35-K39 WeakPolarHBondContact O-CB 3.2Å; K35-K39 VanDerWaalsContact O-CG 3.31Å; K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 2.7Å; F36-K39 PolarHBondContact O-N 3.09Å; K39-L122 HydrophobicContact CB-CD1 4.24Å; K39-L122 VanDerWaalsContact O-CD1 3.22Å; K39-L122 WeakPolarHBondContact O-CD1 3.38Å; K39-Y123 HydrophobicContact CB-CE1 4.23Å; K39-Y123 HydrophobicContact CG-CE1 4.43Å
40H98.3Very high97.5Very high1 Ų158.5 Ų58.51%0.00530%0.301CS..THydrogen-bonded Turntrans-103.317.4178.2-59.790.1000113F36 T38 F42 W112 T119 L122 Y123F36-H40 AromaticContact CD1-ND1 3.97Å; F36-H40 AromaticContact CD2-CE1 3.5Å; F36-H40 AromaticContact CD2-ND1 3.66Å; F36-H40 AromaticContact CE1-ND1 3.91Å; F36-H40 AromaticContact CE2-CE1 3.23Å; F36-H40 WeakPolarHBondContact CE2-CE1 3.39Å; F36-H40 AromaticContact CE2-ND1 3.59Å; F36-H40 AromaticContact CG-ND1 3.84Å; F36-H40 AromaticContact CZ-CE1 3.69Å; F36-H40 AromaticContact CZ-ND1 3.71Å; F36-H40 PolarHBondContact O-N 3.34Å; F36-H40 PolarHBondContact O-ND1 3.39Å; T38-H40 VanDerWaalsContact C-N 3.28Å; T38-H40 PolarHBondContact O-N 3.33Å; H40-F42 HydrophobicContact CB-CD1 3.99Å; H40-F42 HydrophobicContact CB-CE1 3.81Å; H40-F42 PolarHBondContact O-N 2.99Å; H40-W112 HydrophobicContact CB-CH2 3.87Å; H40-W112 HydrophobicContact CB-CZ2 4.17Å; H40-W112 AromaticContact CD2-CH2 3.73Å; H40-W112 AromaticContact CD2-CZ2 3.57Å; H40-W112 AromaticContact CG-CH2 3.76Å; H40-T119 HydrophobicContact CB-CG2 4.27Å; H40-L122 WeakPolarHBondContact NE2-CB 3.31Å; H40-L122 PolarHBondContact NE2-N 3.37Å; H40-Y123 AromaticContact CE1-CE1 3.83Å
41N97.3Very high97.5Very high120 Ų12059.3 Ų59.364%0.64230%0.303SS*.THydrogen-bonded Turntrans50.851.1174.5-56.4-44000113.5T37 T38 R49T37-N41 PolarHBondContact O-N 2.99Å; T38-N41 PolarHBondContact O-N 3.34Å; N41-R49 PolarHBondContact O-NH2 3.48Å
42F98.2Very high97.6Very high25 Ų2557 Ų5711%0.1129%0.294CS..  trans-70.1140.6174.5-81.932.5000110.6F36 T37 H40 D47 W112 F116F36-F42 HydrophobicContact CD1-CZ 4.4Å; F36-F42 HydrophobicContact CE1-CE1 4.34Å; F36-F42 HydrophobicContact CE1-CZ 4.03Å; T37-F42 HydrophobicContact CG2-CB 4.37Å; T37-F42 HydrophobicContact CG2-CD2 3.42Å; T37-F42 VanDerWaalsContact CG2-CD2 3.42Å; T37-F42 HydrophobicContact CG2-CE2 3.78Å; T37-F42 HydrophobicContact CG2-CG 3.93Å; T37-F42 PolarHBondContact O-N 2.73Å; H40-F42 HydrophobicContact CB-CD1 3.99Å; H40-F42 HydrophobicContact CB-CE1 3.81Å; H40-F42 PolarHBondContact O-N 2.99Å; F42-D47 WeakPolarHBondContact CA-OD2 3.32Å; F42-D47 HydrophobicContact CB-CB 3.93Å; F42-D47 HydrophobicContact CD2-CB 3.82Å; F42-D47 HydrophobicContact CG-CB 4.02Å; F42-W112 AromaticContact CE1-CH2 3.93Å; F42-W112 HydrophobicContact CE1-CH2 3.93Å; F42-W112 HydrophobicContact CE1-CZ3 4.43Å; F42-W112 HydrophobicContact CZ-CH2 4.32Å; F42-W112 HydrophobicContact CZ-CZ3 4.37Å; F42-F116 AromaticContact CD1-CE1 3.96Å; F42-F116 HydrophobicContact CD1-CE1 3.96Å; F42-F116 HydrophobicContact CD1-CZ 4.09Å; F42-F116 AromaticContact CE1-CE1 3.51Å; F42-F116 HydrophobicContact CE1-CE1 3.51Å; F42-F116 HydrophobicContact CE1-CE2 4.27Å; F42-F116 AromaticContact CE1-CZ 3.34Å; F42-F116 HydrophobicContact CE1-CZ 3.34Å; F42-F116 HydrophobicContact CE2-CZ 4.23Å; F42-F116 HydrophobicContact CZ-CE1 4.11Å; F42-F116 HydrophobicContact CZ-CE2 4.13Å; F42-F116 AromaticContact CZ-CZ 3.43Å; F42-F116 HydrophobicContact CZ-CZ 3.43Å; F42-F116 VanDerWaalsContact CZ-CZ 3.43Å
43D97.7Very high97.8Very high98 Ų9852.4 Ų52.452%0.52426%0.262SS..  trans-60.8148.4170.9-66.2-32.9000110.9N46 D47D43-N46 CarbonylContact O-C 3.47Å; D43-D47 HydrophobicContact CB-CB 4.14Å; D43-D47 PolarHBondContact N-OD2 3.12Å
44K97.3Very high97.9Very high52 Ų5252.2 Ų52.223%0.22626%0.262CS..SBendtrans-124.8138.1179.3-60.9-63.7179.4-171.60109.8T37 W162 Q166T37-K44 PolarHBondContact OG1-NZ 3.32Å; K44-W162 HydrophobicContact CB-CB 4.48Å; K44-W162 HydrophobicContact CB-CD2 3.46Å; K44-W162 VanDerWaalsContact CB-CD2 3.46Å; K44-W162 HydrophobicContact CB-CE3 3.91Å; K44-W162 HydrophobicContact CB-CG 3.72Å; K44-W162 HydrophobicContact CB-CH2 4.45Å; K44-W162 HydrophobicContact CB-CZ2 4.07Å; K44-W162 HydrophobicContact CB-CZ3 4.38Å; K44-W162 HydrophobicContact CD-CZ2 3.84Å; K44-W162 HydrophobicContact CG-CD2 4.04Å; K44-W162 HydrophobicContact CG-CE3 4.37Å; K44-W162 HydrophobicContact CG-CH2 4.02Å; K44-W162 HydrophobicContact CG-CZ2 3.67Å; K44-W162 HydrophobicContact CG-CZ3 4.36Å; K44-Q166 PolarHBondContact O-NE2 2.77Å
45P97.3Very high98Very high37 Ų3745.7 Ų45.724%0.2423%0.232CC..SBendcis-74.5-24.76.830.7-38.3000114.9N158 W162P45-N158 HydrophobicContact CB-CB 3.89Å; P45-W162 HydrophobicContact CB-CB 4.41Å; P45-W162 HydrophobicContact CB-CG 4.39Å
46N98.1Very high98.1Very high35 Ų3542.5 Ų42.519%0.18722%0.217CC..  trans-130.3140.8-173.8-61-69.2000110.9D43 L51 N155 F206D43-N46 CarbonylContact O-C 3.47Å; N46-L51 HydrophobicContact CB-CD1 4.36Å; N46-N155 PolarHBondContact ND2-OD1 3.43Å; N46-N155 PolarHBondContact OD1-OD1 3.47Å; N46-F206 HydrophobicContact CB-CD1 3.67Å; N46-F206 HydrophobicContact CB-CD2 4Å; N46-F206 HydrophobicContact CB-CE1 3.7Å; N46-F206 HydrophobicContact CB-CE2 4.01Å; N46-F206 HydrophobicContact CB-CG 3.84Å; N46-F206 HydrophobicContact CB-CZ 3.87Å
47D98.2Very high98.1Very high8 Ų842.4 Ų42.44%0.04322%0.216CC..  trans-112.9110.2172.7-167.9-51000110F42 D43 R49 G50 L51F42-D47 WeakPolarHBondContact CA-OD2 3.32Å; F42-D47 HydrophobicContact CB-CB 3.93Å; F42-D47 HydrophobicContact CD2-CB 3.82Å; F42-D47 HydrophobicContact CG-CB 4.02Å; D43-D47 HydrophobicContact CB-CB 4.14Å; D43-D47 PolarHBondContact N-OD2 3.12Å; D47-R49 PolarHBondContact O-N 2.71Å; D47-R49 WeakPolarHBondContact OD1-CA 3.39Å; D47-R49 WeakPolarHBondContact OD1-CB 3.4Å; D47-R49 WeakPolarHBondContact OD1-CG 3.31Å; D47-R49 PolarHBondContact OD1-N 2.63Å; D47-R49 IonicContact OD1-NE 2.72Å; D47-R49 PolarHBondContact OD1-NE 3.5Å; D47-R49 VanDerWaalsContact OD1-NE 3.14Å; D47-R49 IonicContact OD1-NH2 3.74Å; D47-R49 IonicContact OD2-CZ 3.88Å; D47-R49 IonicContact OD2-NE 3.14Å; D47-R49 PolarHBondContact OD2-NE 3.24Å; D47-R49 IonicContact OD2-NH2 2.63Å; D47-R49 PolarHBondContact OD2-NH2 2.85Å; D47-G50 PolarHBondContact O-N 3.29Å; D47-G50 PolarHBondContact OD1-N 3.11Å; D47-L51 WeakPolarHBondContact O-CG 3.17Å; D47-L51 PolarHBondContact O-N 2.77Å
48T98.3Very high98.2Very high64 Ų6441.7 Ų41.739%0.39321%0.212SC..Hα-helixtrans-58.2-35.5179.9-56.50000112L51 L52 L205 F206T48-L51 PolarHBondContact O-N 3.06Å; T48-L52 HydrophobicContact CG2-CD1 3.67Å; T48-L52 HydrophobicContact CG2-CG 4.03Å; T48-L52 WeakPolarHBondContact O-CB 3.49Å; T48-L52 VanDerWaalsContact O-CG 3.24Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.14Å; T48-L205 HydrophobicContact CG2-CD2 4.27Å; T48-F206 WeakPolarHBondContact OG1-CZ 3.39Å
49R98.4Very high98.2Very high73 Ų7340.1 Ų40.128%0.27520%0.199SC..Hα-helixtrans-64.4-47.2179.9-52.5169.3-67.9174.70.3110N41 D47 L53 Y115 F116N41-R49 PolarHBondContact O-NH2 3.48Å; D47-R49 PolarHBondContact O-N 2.71Å; D47-R49 WeakPolarHBondContact OD1-CA 3.39Å; D47-R49 WeakPolarHBondContact OD1-CB 3.4Å; D47-R49 WeakPolarHBondContact OD1-CG 3.31Å; D47-R49 PolarHBondContact OD1-N 2.63Å; D47-R49 IonicContact OD1-NE 2.72Å; D47-R49 PolarHBondContact OD1-NE 3.5Å; D47-R49 VanDerWaalsContact OD1-NE 3.14Å; D47-R49 IonicContact OD1-NH2 3.74Å; D47-R49 IonicContact OD2-CZ 3.88Å; D47-R49 IonicContact OD2-NE 3.14Å; D47-R49 PolarHBondContact OD2-NE 3.24Å; D47-R49 IonicContact OD2-NH2 2.63Å; D47-R49 PolarHBondContact OD2-NH2 2.85Å; R49-L53 VanDerWaalsContact O-CB 3.26Å; R49-L53 WeakPolarHBondContact O-CB 3.28Å; R49-L53 PolarHBondContact O-N 3.11Å; R49-Y115 WeakPolarHBondContact CB-O 3.29Å; R49-Y115 WeakPolarHBondContact CD-O 3.41Å; R49-Y115 WeakPolarHBondContact CG-O 3.48Å; R49-F116 HydrophobicContact CB-CD1 4.34Å; R49-F116 HydrophobicContact CB-CD2 4.37Å; R49-F116 HydrophobicContact CB-CE1 3.84Å; R49-F116 HydrophobicContact CB-CE2 3.86Å; R49-F116 HydrophobicContact CB-CZ 3.56Å
50G98.3Very high98.3Very high3 Ų337.1 Ų37.13%0.03118%0.184CC..Hα-helixtrans-64.5-41.6178.900000113.2D47 S54D47-G50 PolarHBondContact O-N 3.29Å; D47-G50 PolarHBondContact OD1-N 3.11Å; G50-S54 PolarHBondContact O-N 2.87Å; G50-S54 VanDerWaalsContact O-N 3.12Å; G50-S54 PolarHBondContact O-OG 3.2Å
51L98.6Very high98.3Very high23 Ų2337.1 Ų37.112%0.1218%0.184CC..Hα-helixtrans-66.5-48.2177.5-68.2172.8000111.4N46 D47 T48 L53 S54 V55 S75 L205 F206N46-L51 HydrophobicContact CB-CD1 4.36Å; D47-L51 WeakPolarHBondContact O-CG 3.17Å; D47-L51 PolarHBondContact O-N 2.77Å; T48-L51 PolarHBondContact O-N 3.06Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.13Å; L51-S54 WeakPolarHBondContact O-CB 3.43Å; L51-S54 PolarHBondContact O-N 2.87Å; L51-S54 VanDerWaalsContact O-N 3.16Å; L51-V55 WeakPolarHBondContact O-CG2 2.89Å; L51-V55 PolarHBondContact O-N 2.85Å; L51-S75 WeakPolarHBondContact CD2-O 3.39Å; L51-L205 HydrophobicContact CB-CD1 4.47Å; L51-L205 HydrophobicContact CB-CD2 4.26Å; L51-L205 HydrophobicContact CD1-CD2 4.22Å; L51-L205 HydrophobicContact CD1-CG 4.13Å; L51-F206 HydrophobicContact CD1-CD1 3.61Å; L51-F206 HydrophobicContact CD1-CE1 3.68Å
52L98.6Very high98.3Very high59 Ų5931.4 Ų31.431%0.30915%0.154SC..Hα-helixtrans-67.6-33.3179.7-66.1179.2000112.7T48 S54 V55 R56 Y115 L205T48-L52 HydrophobicContact CG2-CD1 3.67Å; T48-L52 HydrophobicContact CG2-CG 4.03Å; T48-L52 WeakPolarHBondContact O-CB 3.49Å; T48-L52 VanDerWaalsContact O-CG 3.24Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.14Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-V55 PolarHBondContact O-N 2.87Å; L52-R56 PolarHBondContact O-N 3.4Å; L52-Y115 HydrophobicContact CB-CD1 3.85Å; L52-Y115 HydrophobicContact CB-CE1 3.51Å; L52-L205 HydrophobicContact CD2-CD2 4.28Å
53L98.8Very high98.3Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-60.4-44170.8174.359.1000111.4R49 L51 V55 R56 G57 Y108 E111 W112 Y115 F116R49-L53 VanDerWaalsContact O-CB 3.26Å; R49-L53 WeakPolarHBondContact O-CB 3.28Å; R49-L53 PolarHBondContact O-N 3.11Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.13Å; L53-V55 VanDerWaalsContact C-N 3.35Å; L53-R56 PolarHBondContact O-N 3.1Å; L53-G57 PolarHBondContact O-N 3.46Å; L53-Y108 HydrophobicContact CD2-CD1 3.83Å; L53-Y108 HydrophobicContact CD2-CD2 4.18Å; L53-Y108 HydrophobicContact CD2-CE1 3.48Å; L53-Y108 VanDerWaalsContact CD2-CE1 3.48Å; L53-Y108 HydrophobicContact CD2-CE2 3.84Å; L53-Y108 HydrophobicContact CD2-CG 4.16Å; L53-Y108 VanDerWaalsContact CD2-CZ 3.47Å; L53-Y108 HydrophobicContact CG-CD1 4.39Å; L53-Y108 HydrophobicContact CG-CD2 3.96Å; L53-Y108 HydrophobicContact CG-CE1 4.31Å; L53-Y108 HydrophobicContact CG-CE2 3.85Å; L53-Y108 HydrophobicContact CG-CG 4.23Å; L53-E111 HydrophobicContact CD1-CB 3.5Å; L53-E111 VanDerWaalsContact CD1-CB 3.5Å; L53-W112 HydrophobicContact CD2-CD2 4.36Å; L53-W112 HydrophobicContact CD2-CE3 3.5Å; L53-W112 VanDerWaalsContact CD2-CE3 3.5Å; L53-W112 HydrophobicContact CD2-CZ3 4.07Å; L53-Y115 HydrophobicContact CB-CD1 4.37Å; L53-Y115 HydrophobicContact CB-CD2 3.95Å; L53-Y115 HydrophobicContact CB-CG 3.86Å; L53-Y115 HydrophobicContact CD1-CD2 3.66Å; L53-Y115 HydrophobicContact CD1-CE2 4.14Å; L53-Y115 HydrophobicContact CD1-CG 4.37Å; L53-Y115 HydrophobicContact CG-CD2 4.38Å; L53-F116 HydrophobicContact CD2-CD2 4.11Å; L53-F116 HydrophobicContact CD2-CE2 3.93Å
54S98.6Very high98.3Very high8 Ų836.4 Ų36.46%0.05617%0.174CC..Hα-helixtrans-63.4-42.3177-55.50000111.4G50 L51 L52 R56 G57 A58 F104G50-S54 PolarHBondContact O-N 2.87Å; G50-S54 VanDerWaalsContact O-N 3.12Å; G50-S54 PolarHBondContact O-OG 3.2Å; L51-S54 WeakPolarHBondContact O-CB 3.43Å; L51-S54 PolarHBondContact O-N 2.87Å; L51-S54 VanDerWaalsContact O-N 3.16Å; L52-S54 VanDerWaalsContact C-N 3.33Å; S54-R56 VanDerWaalsContact C-N 3.34Å; S54-R56 PolarHBondContact O-N 2.85Å; S54-G57 PolarHBondContact O-N 2.79Å; S54-A58 PolarHBondContact O-N 2.79Å; S54-F104 WeakPolarHBondContact O-CE2 3.35Å
55V98.8Very high98.2Very high6 Ų635 Ų354%0.03617%0.169CC..Hα-helixtrans-59.8-44.2174.5173.50000111.2L51 L52 L53 G57 A58 E59 F78 T210 L212 Q221L51-V55 WeakPolarHBondContact O-CG2 2.89Å; L51-V55 PolarHBondContact O-N 2.85Å; L52-V55 PolarHBondContact O-N 2.87Å; L53-V55 VanDerWaalsContact C-N 3.35Å; V55-G57 VanDerWaalsContact C-N 3.33Å; V55-G57 PolarHBondContact O-N 2.94Å; V55-A58 PolarHBondContact O-N 2.88Å; V55-E59 PolarHBondContact O-N 3.13Å; V55-F78 HydrophobicContact CG2-CE2 4.21Å; V55-F78 HydrophobicContact CG2-CZ 4.27Å; V55-T210 HydrophobicContact CG1-CG2 4.02Å; V55-T210 HydrophobicContact CG2-CG2 3.7Å; V55-T210 WeakPolarHBondContact CG2-OG1 3.45Å; V55-L212 HydrophobicContact CG1-CD1 4.5Å; V55-L212 HydrophobicContact CG1-CD2 4.14Å; V55-Q221 HydrophobicContact CG1-CG 4.38Å; V55-Q221 VanDerWaalsContact CG1-OE1 3.23Å
56R98.7Very high98.2Very high65 Ų6540.7 Ų40.725%0.24519%0.189CC..Hα-helixtrans-63.7-37.8176.8-175.858.3176.6166.42.7112.8L52 L53 S54 E59 R60 E111 Y115L52-R56 PolarHBondContact O-N 3.4Å; L53-R56 PolarHBondContact O-N 3.1Å; S54-R56 VanDerWaalsContact C-N 3.34Å; S54-R56 PolarHBondContact O-N 2.85Å; R56-E59 WeakPolarHBondContact CD-OE2 3.31Å; R56-E59 IonicContact CZ-OE2 2.66Å; R56-E59 IonicContact NH1-OE1 2.74Å; R56-E59 IonicContact NH1-OE2 2.87Å; R56-E59 PolarHBondContact NH1-OE2 3.47Å; R56-E59 PolarHBondContact O-N 3.04Å; R56-R60 PolarHBondContact O-N 3.11Å; R56-R60 VanDerWaalsContact O-N 3.13Å; R56-E111 HydrophobicContact CG-CB 4.41Å; R56-E111 HydrophobicContact CG-CG 3.91Å; R56-E111 IonicContact NE-OE2 3.23Å; R56-Y115 HydrophobicContact CB-CE2 3.97Å; R56-Y115 WeakPolarHBondContact CB-OH 3.42Å; R56-Y115 HydrophobicContact CG-CE2 4.09Å
57G98.6Very high98.1Very high0 Ų041 Ų410%019%0.19CC..Hα-helixtrans-60.1-46.4171.500000112L53 S54 V55 R60 V61L53-G57 PolarHBondContact O-N 3.46Å; S54-G57 PolarHBondContact O-N 2.79Å; V55-G57 VanDerWaalsContact C-N 3.33Å; V55-G57 PolarHBondContact O-N 2.94Å; G57-R60 PolarHBondContact O-N 3.08Å; G57-V61 WeakPolarHBondContact O-CG2 3.23Å; G57-V61 PolarHBondContact O-N 3.26Å; G57-V61 VanDerWaalsContact O-N 3.13Å
58A98.8Very high98Very high0 Ų040.6 Ų40.60%019%0.188CC..Hα-helixtrans-66.3-39.2178.100000112.9S54 V55 R60 V61 M62 F78 F80 F104 L212S54-A58 PolarHBondContact O-N 2.79Å; V55-A58 PolarHBondContact O-N 2.88Å; A58-R60 VanDerWaalsContact C-N 3.35Å; A58-R60 PolarHBondContact O-N 2.79Å; A58-V61 WeakPolarHBondContact O-CB 3.01Å; A58-V61 PolarHBondContact O-N 3.5Å; A58-M62 PolarHBondContact O-N 2.86Å; A58-F78 HydrophobicContact CB-CD1 3.59Å; A58-F78 HydrophobicContact CB-CD2 3.81Å; A58-F78 HydrophobicContact CB-CE1 3.37Å; A58-F78 HydrophobicContact CB-CE2 3.6Å; A58-F78 HydrophobicContact CB-CG 3.81Å; A58-F78 HydrophobicContact CB-CZ 3.37Å; A58-F80 HydrophobicContact CB-CE1 3.74Å; A58-F80 HydrophobicContact CB-CZ 3.75Å; A58-F104 HydrophobicContact CB-CE2 4.11Å; A58-L212 HydrophobicContact CB-CD1 3.68Å
59E98.5Very high98Very high46 Ų4638.7 Ų38.722%0.21518%0.176CC..Hα-helixtrans-59.1-46.2175.4-166-162.3168.200111V55 R56 V61 M62 Q63 L212V55-E59 PolarHBondContact O-N 3.13Å; R56-E59 WeakPolarHBondContact CD-OE2 3.31Å; R56-E59 IonicContact CZ-OE2 2.66Å; R56-E59 IonicContact NH1-OE1 2.74Å; R56-E59 IonicContact NH1-OE2 2.87Å; R56-E59 PolarHBondContact NH1-OE2 3.47Å; R56-E59 PolarHBondContact O-N 3.04Å; E59-V61 VanDerWaalsContact C-N 3.32Å; E59-V61 PolarHBondContact O-N 2.95Å; E59-M62 PolarHBondContact O-N 2.92Å; E59-M62 VanDerWaalsContact O-N 3.15Å; E59-Q63 VanDerWaalsContact O-CG 3.29Å; E59-Q63 WeakPolarHBondContact O-CG 2.96Å; E59-Q63 PolarHBondContact O-N 2.94Å; E59-Q63 PolarHBondContact OE1-NE2 3.08Å; E59-L212 HydrophobicContact CB-CD1 4.27Å
60R98.4Very high98Very high57 Ų5735.2 Ų35.222%0.21516%0.163CC..Hα-helixtrans-59.5-41.4174.9-83.9-164.5156.484.4-12.8113.1R56 G57 A58 M62 Q63 Q64 S107 E111R56-R60 PolarHBondContact O-N 3.11Å; R56-R60 VanDerWaalsContact O-N 3.13Å; G57-R60 PolarHBondContact O-N 3.08Å; A58-R60 VanDerWaalsContact C-N 3.35Å; A58-R60 PolarHBondContact O-N 2.79Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-M62 PolarHBondContact O-N 3.5Å; R60-Q63 PolarHBondContact O-N 2.69Å; R60-Q64 PolarHBondContact O-N 2.73Å; R60-Q64 VanDerWaalsContact O-N 3.1Å; R60-S107 VanDerWaalsContact CD-OG 3.29Å; R60-S107 WeakPolarHBondContact CD-OG 3.36Å; R60-E111 IonicContact CZ-OE1 3.27Å; R60-E111 IonicContact NH1-OE1 3.66Å; R60-E111 PolarHBondContact NH1-OE1 2.72Å; R60-E111 IonicContact NH1-OE2 2.78Å; R60-E111 IonicContact NH2-OE1 2.78Å; R60-E111 PolarHBondContact NH2-OE1 3.12Å
61V98.7Very high98Very high0 Ų035.1 Ų35.10%016%0.161CC..Hα-helixtrans-59.2-47.3174.7172.10000110.3G57 A58 E59 Q63 Q64 Q65 I68 F80 V100 L103 F104G57-V61 WeakPolarHBondContact O-CG2 3.23Å; G57-V61 PolarHBondContact O-N 3.26Å; G57-V61 VanDerWaalsContact O-N 3.13Å; A58-V61 WeakPolarHBondContact O-CB 3.01Å; A58-V61 PolarHBondContact O-N 3.5Å; E59-V61 VanDerWaalsContact C-N 3.32Å; E59-V61 PolarHBondContact O-N 2.95Å; V61-Q63 PolarHBondContact O-N 2.94Å; V61-Q64 PolarHBondContact O-N 3.47Å; V61-Q65 WeakPolarHBondContact O-CB 3.34Å; V61-Q65 PolarHBondContact O-N 3.45Å; V61-I68 HydrophobicContact CG1-CD1 3.73Å; V61-F80 HydrophobicContact CB-CD1 4.4Å; V61-F80 HydrophobicContact CB-CE1 3.74Å; V61-F80 HydrophobicContact CB-CZ 4.12Å; V61-F80 HydrophobicContact CG1-CD1 3.82Å; V61-F80 HydrophobicContact CG1-CE1 3.63Å; V61-F80 HydrophobicContact CG1-CG 4.42Å; V61-F80 HydrophobicContact CG1-CZ 4.11Å; V61-F80 HydrophobicContact CG2-CE1 4.4Å; V61-F80 HydrophobicContact CG2-CZ 4.28Å; V61-V100 HydrophobicContact CG1-CG1 4.14Å; V61-V100 HydrophobicContact CG1-CG2 4.34Å; V61-L103 HydrophobicContact CG2-CB 4.17Å; V61-L103 HydrophobicContact CG2-CD2 4.26Å; V61-L103 HydrophobicContact CG2-CG 4Å; V61-F104 HydrophobicContact CG2-CB 3.88Å; V61-F104 HydrophobicContact CG2-CD2 4.32Å
62M98.3Very high98Very high0 Ų034 Ų340%016%0.156CC..Hα-helixtrans-67.5-31.9178.6-72.4-173.67000113.6A58 E59 R60 Q65 I68 A71 F80 L212 R214 I219A58-M62 PolarHBondContact O-N 2.86Å; E59-M62 PolarHBondContact O-N 2.92Å; E59-M62 VanDerWaalsContact O-N 3.15Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-M62 PolarHBondContact O-N 3.5Å; M62-Q65 CarbonylContact O-C 3.55Å; M62-I68 HydrophobicContact CE-CG2 4.16Å; M62-I68 HydrophobicContact CG-CB 4.23Å; M62-I68 HydrophobicContact CG-CG2 3.8Å; M62-I68 HydrophobicContact SD-CG2 4.31Å; M62-A71 HydrophobicContact CG-CB 4.32Å; M62-A71 HydrophobicContact SD-CB 3.62Å; M62-F80 HydrophobicContact CG-CD1 4.4Å; M62-L212 HydrophobicContact CE-CB 4.44Å; M62-L212 HydrophobicContact SD-CB 3.5Å; M62-L212 VanDerWaalsContact SD-CB 3.5Å; M62-L212 HydrophobicContact SD-CD1 4.17Å; M62-R214 PolarHBondContact O-NH2 2.86Å; M62-I219 HydrophobicContact CB-CD1 3.56Å; M62-I219 HydrophobicContact CB-CG1 4.3Å; M62-I219 HydrophobicContact CE-CG1 4.41Å; M62-I219 HydrophobicContact CE-CG2 4.22Å; M62-I219 HydrophobicContact SD-CG2 4.25Å
63Q97.6Very high98.1Very high88 Ų8831.4 Ų31.441%0.41114%0.143SC..Hα-helixtrans-64.9-43.2175.1-73.5169.7-400111.1E59 R60 V61 I219E59-Q63 VanDerWaalsContact O-CG 3.29Å; E59-Q63 WeakPolarHBondContact O-CG 2.96Å; E59-Q63 PolarHBondContact O-N 2.94Å; E59-Q63 PolarHBondContact OE1-NE2 3.08Å; R60-Q63 PolarHBondContact O-N 2.69Å; V61-Q63 PolarHBondContact O-N 2.94Å; Q63-I219 HydrophobicContact CB-CD1 4.45Å; Q63-I219 HydrophobicContact CG-CD1 3.65Å
64Q97Very high98Very high140 Ų14032.2 Ų32.265%0.65415%0.147SC*.Hα-helixtrans-77.1-41.9179.3-168.567.18.100112.3R60 V61 K66 L103R60-Q64 PolarHBondContact O-N 2.73Å; R60-Q64 VanDerWaalsContact O-N 3.1Å; V61-Q64 PolarHBondContact O-N 3.47Å; Q64-K66 PolarHBondContact O-N 2.82Å; Q64-L103 HydrophobicContact CB-CD2 3.49Å; Q64-L103 VanDerWaalsContact CB-CD2 3.49Å; Q64-L103 HydrophobicContact CG-CD2 3.84Å
65Q96.5Very high98Very high23 Ų2335.3 Ų35.311%0.10717%0.169CC..  trans-98.784-178.9-61.5-64.5-6.100110.5V61 M62 E67 I68 F82 R214V61-Q65 WeakPolarHBondContact O-CB 3.34Å; V61-Q65 PolarHBondContact O-N 3.45Å; M62-Q65 CarbonylContact O-C 3.55Å; Q65-E67 PolarHBondContact O-N 3.47Å; Q65-E67 VanDerWaalsContact O-N 3.08Å; Q65-I68 HydrophobicContact CB-CD1 3.51Å; Q65-I68 HydrophobicContact CB-CG1 3.9Å; Q65-I68 HydrophobicContact CG-CD1 4.3Å; Q65-I68 WeakPolarHBondContact O-CB 3.37Å; Q65-I68 PolarHBondContact O-N 2.65Å; Q65-I68 VanDerWaalsContact O-N 3.11Å; Q65-F82 HydrophobicContact CB-CE1 4.43Å; Q65-R214 PolarHBondContact O-NH2 2.73Å
66K95.6Very high97.9Very high156 Ų15636.8 Ų36.868%0.67818%0.176SC*.THydrogen-bonded Turntrans-61.6-20.2-174.7-62.3-176.1-179.6-179.70114.6Q64 I68 R214Q64-K66 PolarHBondContact O-N 2.82Å; K66-I68 VanDerWaalsContact C-N 3.27Å; K66-I68 PolarHBondContact O-N 3.15Å; K66-R214 PolarHBondContact O-NE 3.28Å; K66-R214 VanDerWaalsContact O-NE 3.15Å; K66-R214 PolarHBondContact O-NH2 3.46Å
67E96Very high97.9Very high41 Ų4134 Ų3419%0.19217%0.166CC..THydrogen-bonded Turntrans-78.7-10.5-179.6-61.7-71.7101.500113.7Q65 F82 K83 T86 V88Q65-E67 PolarHBondContact O-N 3.47Å; Q65-E67 VanDerWaalsContact O-N 3.08Å; E67-F82 HydrophobicContact CB-CD1 3.83Å; E67-F82 HydrophobicContact CB-CE1 4.36Å; E67-F82 WeakPolarHBondContact O-CA 3.14Å; E67-K83 PolarHBondContact O-N 2.93Å; E67-K83 IonicContact OE1-NZ 2.73Å; E67-K83 PolarHBondContact OE1-NZ 3.44Å; E67-K83 WeakPolarHBondContact OE2-CD 3.35Å; E67-K83 WeakPolarHBondContact OE2-CE 3.37Å; E67-K83 IonicContact OE2-NZ 2.79Å; E67-K83 PolarHBondContact OE2-NZ 3.06Å; E67-T86 WeakPolarHBondContact CG-OG1 3.35Å; E67-T86 WeakPolarHBondContact OE2-CA 3.45Å; E67-T86 VanDerWaalsContact OE2-CB 3.31Å; E67-T86 WeakPolarHBondContact OE2-CB 3.15Å; E67-T86 PolarHBondContact OE2-OG1 3.17Å; E67-V88 HydrophobicContact CB-CG2 4.36Å; E67-V88 HydrophobicContact CG-CB 4.4Å; E67-V88 HydrophobicContact CG-CG2 3.5Å; E67-V88 VanDerWaalsContact CG-CG2 3.5Å
68I97.8Very high97.9Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-76.4122.8172.1-57.3172.3000108.2V61 M62 Q65 K66 L70 F80 V81 F82 R214V61-I68 HydrophobicContact CG1-CD1 3.73Å; M62-I68 HydrophobicContact CE-CG2 4.16Å; M62-I68 HydrophobicContact CG-CB 4.23Å; M62-I68 HydrophobicContact CG-CG2 3.8Å; M62-I68 HydrophobicContact SD-CG2 4.31Å; Q65-I68 HydrophobicContact CB-CD1 3.51Å; Q65-I68 HydrophobicContact CB-CG1 3.9Å; Q65-I68 HydrophobicContact CG-CD1 4.3Å; Q65-I68 WeakPolarHBondContact O-CB 3.37Å; Q65-I68 PolarHBondContact O-N 2.65Å; Q65-I68 VanDerWaalsContact O-N 3.11Å; K66-I68 VanDerWaalsContact C-N 3.27Å; K66-I68 PolarHBondContact O-N 3.15Å; I68-L70 WeakPolarHBondContact CG2-O 3.42Å; I68-F80 HydrophobicContact CD1-CB 4.06Å; I68-F80 HydrophobicContact CD1-CD1 3.95Å; I68-F80 HydrophobicContact CD1-CG 4.31Å; I68-F80 HydrophobicContact CG2-CB 4.23Å; I68-F80 HydrophobicContact CG2-CD1 4.35Å; I68-V81 CarbonylContact C-O 3.57Å; I68-V81 VanDerWaalsContact CA-O 3.3Å; I68-V81 WeakPolarHBondContact CA-O 3.16Å; I68-V81 WeakPolarHBondContact CG2-O 3.2Å; I68-F82 HydrophobicContact CD1-CE1 4.34Å; I68-F82 HydrophobicContact CD1-CE2 4.01Å; I68-F82 HydrophobicContact CD1-CZ 3.79Å; I68-F82 HydrophobicContact CG1-CD1 4Å; I68-F82 HydrophobicContact CG1-CD2 4.02Å; I68-F82 HydrophobicContact CG1-CE1 3.72Å; I68-F82 HydrophobicContact CG1-CE2 3.73Å; I68-F82 HydrophobicContact CG1-CG 4.14Å; I68-F82 HydrophobicContact CG1-CZ 3.57Å; I68-R214 PolarHBondContact O-NE 3.31Å; I68-R214 PolarHBondContact O-NH2 3.46Å
69V97.5Very high97.9Very high24 Ų2434.2 Ų34.215%0.14517%0.167CC..EExtended strand (participates in β ladder)trans-96.5-30.5-178.7-64.40000112.4W23 V81 K83 F213 R214 I238W23-V69 HydrophobicContact CZ3-CG2 4Å; V69-V81 HydrophobicContact CG2-CB 4.32Å; V69-V81 HydrophobicContact CG2-CG1 4.09Å; V69-V81 WeakPolarHBondContact CG2-O 3.44Å; V69-V81 PolarHBondContact N-O 3.21Å; V69-K83 HydrophobicContact CG1-CB 3.99Å; V69-F213 WeakPolarHBondContact O-CA 3.48Å; V69-R214 PolarHBondContact O-N 3.23Å; V69-I238 HydrophobicContact CG2-CG2 4.23Å
70L98.5Very high97.9Very high1 Ų132 Ų321%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-148.8143.6-178.7-177.2148.3000109.6I68 V81 L144 V211 L212 F231 W232 I238I68-L70 WeakPolarHBondContact CG2-O 3.42Å; L70-V81 HydrophobicContact CB-CB 4.33Å; L70-V81 HydrophobicContact CB-CG2 4.38Å; L70-V81 HydrophobicContact CD2-CG2 3.95Å; L70-V81 WeakPolarHBondContact O-CB 3.35Å; L70-V81 PolarHBondContact O-N 3.39Å; L70-L144 HydrophobicContact CD1-CD1 4.39Å; L70-L144 HydrophobicContact CD2-CD1 3.84Å; L70-L144 HydrophobicContact CD2-CD2 3.79Å; L70-L144 HydrophobicContact CD2-CG 4.5Å; L70-V211 HydrophobicContact CD1-CG2 3.88Å; L70-V211 HydrophobicContact CD2-CG2 4.33Å; L70-V211 HydrophobicContact CG-CG2 3.93Å; L70-L212 CarbonylContact C-O 3.58Å; L70-L212 VanDerWaalsContact CA-O 3.28Å; L70-L212 WeakPolarHBondContact CA-O 3.39Å; L70-F231 HydrophobicContact CD1-CE1 3.9Å; L70-F231 HydrophobicContact CD1-CZ 3.94Å; L70-W232 HydrophobicContact CD1-CH2 4.15Å; L70-W232 HydrophobicContact CD1-CZ3 4.4Å; L70-I238 HydrophobicContact CB-CG2 4.18Å; L70-I238 HydrophobicContact CD1-CD1 4.36Å; L70-I238 HydrophobicContact CD1-CG2 4.17Å
71A98.8Very high98Very high0 Ų029.3 Ų29.30%015%0.147CC..EExtended strand (participates in β ladder)trans-130.5143.4163.800000110.2M62 F78 S79 F80 V211 L212M62-A71 HydrophobicContact CG-CB 4.32Å; M62-A71 HydrophobicContact SD-CB 3.62Å; A71-F78 HydrophobicContact CB-CD1 3.99Å; A71-F78 HydrophobicContact CB-CE1 3.88Å; A71-S79 CarbonylContact C-O 3.52Å; A71-S79 WeakPolarHBondContact CA-O 3.32Å; A71-S79 WeakPolarHBondContact CB-O 3.42Å; A71-F80 HydrophobicContact CB-CD1 3.64Å; A71-F80 HydrophobicContact CB-CE1 3.92Å; A71-F80 HydrophobicContact CB-CG 4.37Å; A71-V211 CarbonylContact O-C 3.54Å; A71-V211 WeakPolarHBondContact O-CA 3.45Å; A71-L212 HydrophobicContact CB-CB 4.29Å; A71-L212 PolarHBondContact N-O 3.2Å; A71-L212 PolarHBondContact O-N 3.37Å
72Y98.9Very high97.9Very high0 Ų029.3 Ų29.30%015%0.147CC..EExtended strand (participates in β ladder)trans-129.1130.8177.2176.7-101.3000109.8Q74 F78 S79 R147 Q148 C151 K208 T210 V211 I226Y72-Q74 HydrophobicContact CE1-CB 4.31Å; Y72-Q74 HydrophobicContact CE1-CG 4.05Å; Y72-F78 VanDerWaalsContact C-CD1 3.47Å; Y72-F78 CarbonylContact O-C 3.57Å; Y72-F78 WeakPolarHBondContact O-CA 3.4Å; Y72-F78 WeakPolarHBondContact O-CD1 3.5Å; Y72-S79 PolarHBondContact N-O 3.17Å; Y72-S79 PolarHBondContact O-N 3.31Å; Y72-R147 HydrophobicContact CD1-CB 3.72Å; Y72-R147 HydrophobicContact CE1-CB 3.63Å; Y72-Q148 HydrophobicContact CE1-CB 4.47Å; Y72-Q148 HydrophobicContact CE2-CB 4.43Å; Y72-Q148 WeakPolarHBondContact OH-CA 3.47Å; Y72-C151 WeakPolarHBondContact OH-CB 3.43Å; Y72-K208 VanDerWaalsContact CE2-O 3.29Å; Y72-K208 WeakPolarHBondContact CE2-O 3.46Å; Y72-K208 PolarHBondContact OH-O 2.97Å; Y72-T210 CarbonylContact C-O 3.26Å; Y72-T210 WeakPolarHBondContact CA-O 3.45Å; Y72-T210 WeakPolarHBondContact CD2-O 2.79Å; Y72-V211 HydrophobicContact CD2-CB 4.42Å; Y72-I226 HydrophobicContact CD2-CD1 3.78Å; Y72-I226 HydrophobicContact CE2-CD1 4.25Å; Y72-I226 HydrophobicContact CG-CD1 4.19Å
73G98.8Very high97.8Very high5 Ų532.4 Ų32.45%0.05216%0.16CC..EExtended strand (participates in β ladder)trans-134.8143.2-178.100000113.1E77 G209 T210G73-E77 VanDerWaalsContact CA-O 3.29Å; G73-E77 WeakPolarHBondContact CA-O 3.38Å; G73-G209 WeakPolarHBondContact O-CA 3.23Å; G73-T210 PolarHBondContact N-O 2.89Å; G73-T210 PolarHBondContact O-N 3.14Å
74Q98.3Very high97.7Very high17 Ų1729.3 Ų29.38%0.07915%0.145CC..EExtended strand (participates in β ladder)trans-153.7150.1176.365.284.11300108.6Y72 D76 E77 C151Y72-Q74 HydrophobicContact CE1-CB 4.31Å; Y72-Q74 HydrophobicContact CE1-CG 4.05Å; Q74-D76 PolarHBondContact O-N 3.14Å; Q74-D76 VanDerWaalsContact O-N 3.1Å; Q74-E77 HydrophobicContact CG-CG 3.97Å; Q74-E77 WeakPolarHBondContact CG-OE1 3.33Å; Q74-E77 PolarHBondContact N-O 3.35Å; Q74-E77 PolarHBondContact NE2-OE1 3.07Å; Q74-E77 WeakPolarHBondContact O-CG 3.2Å; Q74-E77 PolarHBondContact O-N 3.16Å; Q74-C151 HydrophobicContact CB-CB 3.82Å; Q74-C151 HydrophobicContact CG-CB 3.93Å
75S97.3Very high97.6Very high72 Ų7227 Ų2750%0.50314%0.144SC..THydrogen-bonded Turntrans50.2-117.8-176-173.10000111.5L51L51-S75 WeakPolarHBondContact CD2-O 3.39Å
76D97.8Very high97.5Very high38 Ų3826 Ų2620%0.20314%0.139CC..THydrogen-bonded Turntrans-110.815.7-177.456-38.6000112.7G30 F33 Q74G30-D76 PolarHBondContact N-O 3.24Å; F33-D76 HydrophobicContact CB-CB 3.9Å; F33-D76 WeakPolarHBondContact CB-OD2 3.47Å; F33-D76 HydrophobicContact CD1-CB 3.33Å; F33-D76 HydrophobicContact CE1-CB 3.94Å; F33-D76 HydrophobicContact CG-CB 3.7Å; Q74-D76 PolarHBondContact O-N 3.14Å; Q74-D76 VanDerWaalsContact O-N 3.1Å
77E98.4Very high97.6Very high6 Ų626.1 Ų26.13%0.02814%0.142CC..EExtended strand (participates in β ladder)trans-118.4156.1177.664.7159.3-153.100114R27 L28 G73 Q74 R147R27-E77 IonicContact CZ-OE2 3.49Å; R27-E77 IonicContact NE-OE2 2.7Å; L28-E77 WeakPolarHBondContact O-CA 3.42Å; L28-E77 WeakPolarHBondContact O-CB 3.31Å; G73-E77 VanDerWaalsContact CA-O 3.29Å; G73-E77 WeakPolarHBondContact CA-O 3.38Å; Q74-E77 HydrophobicContact CG-CG 3.97Å; Q74-E77 WeakPolarHBondContact CG-OE1 3.33Å; Q74-E77 PolarHBondContact N-O 3.35Å; Q74-E77 PolarHBondContact NE2-OE1 3.07Å; Q74-E77 WeakPolarHBondContact O-CG 3.2Å; Q74-E77 PolarHBondContact O-N 3.16Å; E77-R147 IonicContact OE1-CZ 3.06Å; E77-R147 IonicContact OE1-NE 3.17Å; E77-R147 PolarHBondContact OE1-NE 2.85Å; E77-R147 IonicContact OE1-NH2 3.88Å; E77-R147 PolarHBondContact OE1-NH2 3.04Å; E77-R147 IonicContact OE2-CZ 3.94Å; E77-R147 IonicContact OE2-NE 3.32Å; E77-R147 PolarHBondContact OE2-NE 2.63Å; E77-R147 IonicContact OE2-NH2 2.94Å; E77-R147 PolarHBondContact OE2-NH2 3.49Å
78F98.8Very high97.6Very high4 Ų425.8 Ų25.82%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-144.2134.4169.4-118.8-74.3000110.8R27 L28 V55 A58 A71 Y72 F80 F104 L212R27-F78 WeakPolarHBondContact CA-O 3.46Å; L28-F78 PolarHBondContact N-O 2.9Å; L28-F78 PolarHBondContact O-N 2.91Å; L28-F78 VanDerWaalsContact O-N 3.07Å; V55-F78 HydrophobicContact CG2-CE2 4.21Å; V55-F78 HydrophobicContact CG2-CZ 4.27Å; A58-F78 HydrophobicContact CB-CD1 3.59Å; A58-F78 HydrophobicContact CB-CD2 3.81Å; A58-F78 HydrophobicContact CB-CE1 3.37Å; A58-F78 HydrophobicContact CB-CE2 3.6Å; A58-F78 HydrophobicContact CB-CG 3.81Å; A58-F78 HydrophobicContact CB-CZ 3.37Å; A71-F78 HydrophobicContact CB-CD1 3.99Å; A71-F78 HydrophobicContact CB-CE1 3.88Å; Y72-F78 VanDerWaalsContact C-CD1 3.47Å; Y72-F78 CarbonylContact O-C 3.57Å; Y72-F78 WeakPolarHBondContact O-CA 3.4Å; Y72-F78 WeakPolarHBondContact O-CD1 3.5Å; F78-F80 HydrophobicContact CB-CE2 3.79Å; F78-F80 HydrophobicContact CB-CZ 3.99Å; F78-F80 HydrophobicContact CD1-CE1 4.47Å; F78-F80 HydrophobicContact CD1-CZ 4.18Å; F78-F80 HydrophobicContact CG-CE2 4.5Å; F78-F80 HydrophobicContact CG-CZ 4.24Å; F78-F104 HydrophobicContact CB-CE2 4.27Å; F78-F104 HydrophobicContact CD2-CE2 4.06Å; F78-F104 HydrophobicContact CD2-CZ 4.31Å; F78-F104 HydrophobicContact CG-CE2 4.36Å; F78-L212 HydrophobicContact CE1-CD1 4.3Å; F78-L212 HydrophobicContact CZ-CD1 4.26Å
79S98.9Very high97.5Very high0 Ų029.5 Ų29.50%016%0.159CC..EExtended strand (participates in β ladder)trans-106.5132.7173.7-59.60000109.9V26 A71 Y72 Y143V26-S79 CarbonylContact O-C 3.5Å; V26-S79 WeakPolarHBondContact O-CA 3.46Å; A71-S79 CarbonylContact C-O 3.52Å; A71-S79 WeakPolarHBondContact CA-O 3.32Å; A71-S79 WeakPolarHBondContact CB-O 3.42Å; Y72-S79 PolarHBondContact N-O 3.17Å; Y72-S79 PolarHBondContact O-N 3.31Å; S79-Y143 PolarHBondContact OG-OH 3.43Å
80F98.9Very high97.5Very high0 Ų034.4 Ų34.40%019%0.185CC..EExtended strand (participates in β ladder)trans-118123.6178-60.9-88.6000110.2V25 V26 L28 A58 V61 M62 I68 A71 F78 V100 F104V25-F80 CarbonylContact C-O 3.6Å; V25-F80 VanDerWaalsContact CA-O 3.31Å; V25-F80 WeakPolarHBondContact CA-O 3.45Å; V26-F80 HydrophobicContact CB-CB 4.46Å; V26-F80 PolarHBondContact N-O 3.24Å; V26-F80 PolarHBondContact O-N 3.18Å; L28-F80 HydrophobicContact CD1-CD2 4.46Å; L28-F80 HydrophobicContact CD1-CE2 3.66Å; L28-F80 HydrophobicContact CD1-CZ 4.48Å; L28-F80 HydrophobicContact CG-CD2 4.35Å; L28-F80 HydrophobicContact CG-CE2 3.92Å; A58-F80 HydrophobicContact CB-CE1 3.74Å; A58-F80 HydrophobicContact CB-CZ 3.75Å; V61-F80 HydrophobicContact CB-CD1 4.4Å; V61-F80 HydrophobicContact CB-CE1 3.74Å; V61-F80 HydrophobicContact CB-CZ 4.12Å; V61-F80 HydrophobicContact CG1-CD1 3.82Å; V61-F80 HydrophobicContact CG1-CE1 3.63Å; V61-F80 HydrophobicContact CG1-CG 4.42Å; V61-F80 HydrophobicContact CG1-CZ 4.11Å; V61-F80 HydrophobicContact CG2-CE1 4.4Å; V61-F80 HydrophobicContact CG2-CZ 4.28Å; M62-F80 HydrophobicContact CG-CD1 4.4Å; I68-F80 HydrophobicContact CD1-CB 4.06Å; I68-F80 HydrophobicContact CD1-CD1 3.95Å; I68-F80 HydrophobicContact CD1-CG 4.31Å; I68-F80 HydrophobicContact CG2-CB 4.23Å; I68-F80 HydrophobicContact CG2-CD1 4.35Å; A71-F80 HydrophobicContact CB-CD1 3.64Å; A71-F80 HydrophobicContact CB-CE1 3.92Å; A71-F80 HydrophobicContact CB-CG 4.37Å; F78-F80 HydrophobicContact CB-CE2 3.79Å; F78-F80 HydrophobicContact CB-CZ 3.99Å; F78-F80 HydrophobicContact CD1-CE1 4.47Å; F78-F80 HydrophobicContact CD1-CZ 4.18Å; F78-F80 HydrophobicContact CG-CE2 4.5Å; F78-F80 HydrophobicContact CG-CZ 4.24Å; F80-V100 HydrophobicContact CD2-CG1 3.52Å; F80-V100 HydrophobicContact CE2-CG1 3.82Å; F80-V100 HydrophobicContact CG-CG1 4.07Å; F80-F104 HydrophobicContact CE2-CD2 4.43Å; F80-F104 AromaticContact CZ-CD2 3.92Å; F80-F104 HydrophobicContact CZ-CD2 3.92Å; F80-F104 HydrophobicContact CZ-CE2 4.36Å
81V98.8Very high97.5Very high0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-103.8112.3-176.5-173.40000109.7W23 V25 I68 V69 L70 L140 L144W23-V81 HydrophobicContact CD2-CG1 4.5Å; W23-V81 HydrophobicContact CE3-CG1 3.7Å; W23-V81 HydrophobicContact CZ3-CG1 4.15Å; V25-V81 HydrophobicContact CG2-CG2 4.25Å; I68-V81 CarbonylContact C-O 3.57Å; I68-V81 VanDerWaalsContact CA-O 3.3Å; I68-V81 WeakPolarHBondContact CA-O 3.16Å; I68-V81 WeakPolarHBondContact CG2-O 3.2Å; V69-V81 HydrophobicContact CG2-CB 4.32Å; V69-V81 HydrophobicContact CG2-CG1 4.09Å; V69-V81 WeakPolarHBondContact CG2-O 3.44Å; V69-V81 PolarHBondContact N-O 3.21Å; L70-V81 HydrophobicContact CB-CB 4.33Å; L70-V81 HydrophobicContact CB-CG2 4.38Å; L70-V81 HydrophobicContact CD2-CG2 3.95Å; L70-V81 WeakPolarHBondContact O-CB 3.35Å; L70-V81 PolarHBondContact O-N 3.39Å; V81-L140 HydrophobicContact CG1-CD1 3.74Å; V81-L140 HydrophobicContact CG1-CD2 3.69Å; V81-L140 HydrophobicContact CG1-CG 4.37Å; V81-L140 HydrophobicContact CG2-CD1 3.95Å; V81-L144 HydrophobicContact CG2-CD2 4.3Å
82F98.1Very high97.4Very high1 Ų139 Ų390%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-87.1143.6171.3-69.2-106.9000110.8W23 I24 V26 Q65 E67 I68 T86 I96 V100W23-F82 VanDerWaalsContact CE3-O 3.28Å; I24-F82 HydrophobicContact CB-CB 4.14Å; I24-F82 PolarHBondContact O-N 3.37Å; V26-F82 HydrophobicContact CG2-CD2 4.31Å; V26-F82 HydrophobicContact CG2-CE2 3.81Å; Q65-F82 HydrophobicContact CB-CE1 4.43Å; E67-F82 HydrophobicContact CB-CD1 3.83Å; E67-F82 HydrophobicContact CB-CE1 4.36Å; E67-F82 WeakPolarHBondContact O-CA 3.14Å; I68-F82 HydrophobicContact CD1-CE1 4.34Å; I68-F82 HydrophobicContact CD1-CE2 4.01Å; I68-F82 HydrophobicContact CD1-CZ 3.79Å; I68-F82 HydrophobicContact CG1-CD1 4Å; I68-F82 HydrophobicContact CG1-CD2 4.02Å; I68-F82 HydrophobicContact CG1-CE1 3.72Å; I68-F82 HydrophobicContact CG1-CE2 3.73Å; I68-F82 HydrophobicContact CG1-CG 4.14Å; I68-F82 HydrophobicContact CG1-CZ 3.57Å; F82-T86 HydrophobicContact CB-CG2 4.04Å; F82-I96 HydrophobicContact CD2-CG2 4.19Å; F82-I96 HydrophobicContact CE1-CG2 4.37Å; F82-I96 HydrophobicContact CE2-CG2 3.63Å; F82-I96 HydrophobicContact CZ-CG2 3.73Å; F82-V100 HydrophobicContact CE2-CG2 3.96Å; F82-V100 HydrophobicContact CZ-CG2 3.76Å
83K95.9Very high97.4Very high65 Ų6540 Ų4028%0.28321%0.21SC..  trans-54.3141.617769.8-172.1-150.2-154.40112.4E67 V69 C85 T86E67-K83 PolarHBondContact O-N 2.93Å; E67-K83 IonicContact OE1-NZ 2.73Å; E67-K83 PolarHBondContact OE1-NZ 3.44Å; E67-K83 WeakPolarHBondContact OE2-CD 3.35Å; E67-K83 WeakPolarHBondContact OE2-CE 3.37Å; E67-K83 IonicContact OE2-NZ 2.79Å; E67-K83 PolarHBondContact OE2-NZ 3.06Å; V69-K83 HydrophobicContact CG1-CB 3.99Å; K83-C85 VanDerWaalsContact CE-SG 3.52Å; K83-C85 PolarHBondContact O-N 2.99Å; K83-C85 VanDerWaalsContact O-N 3.13Å; K83-T86 WeakPolarHBondContact O-CB 3.16Å; K83-T86 WeakPolarHBondContact O-CG2 3.04Å; K83-T86 PolarHBondContact O-N 3.36Å
84K95Very high97.4Very high22 Ų2242.5 Ų42.510%0.09623%0.226CC..THydrogen-bonded Turntrans-49.6-43.4-179.8-67.5-172.2-176.6174.40112.9T22 W23 T86 R91 N137 E242T22-K84 WeakPolarHBondContact O-CA 3.46Å; W23-K84 HydrophobicContact CD2-CD 4.45Å; W23-K84 HydrophobicContact CD2-CG 3.47Å; W23-K84 VanDerWaalsContact CD2-CG 3.47Å; W23-K84 VanDerWaalsContact CE2-CE 3.42Å; W23-K84 VanDerWaalsContact CE2-CG 3.42Å; W23-K84 HydrophobicContact CE3-CG 3.98Å; W23-K84 HydrophobicContact CG-CG 3.82Å; W23-K84 HydrophobicContact CH2-CG 4.25Å; W23-K84 HydrophobicContact CZ2-CD 4.25Å; W23-K84 HydrophobicContact CZ2-CG 3.82Å; W23-K84 HydrophobicContact CZ3-CG 4.35Å; K84-T86 VanDerWaalsContact C-N 3.3Å; K84-T86 PolarHBondContact O-N 3.27Å; K84-R91 PolarHBondContact O-NH1 2.78Å; K84-N137 WeakPolarHBondContact CE-OD1 3.1Å; K84-N137 PolarHBondContact NZ-OD1 2.74Å; K84-E242 IonicContact NZ-OE2 2.77Å; K84-E242 PolarHBondContact NZ-OE2 2.66Å; K84-E242 PolarHBondContact NZ-OXT 3.06Å; K84-E242 VanDerWaalsContact NZ-OXT 3.13Å
85C94.7Very high97.3Very high93 Ų9345.9 Ų45.963%0.62824%0.241SC*.THydrogen-bonded Turntrans-85.212.3-17760.80000114.6K83K83-C85 VanDerWaalsContact CE-SG 3.52Å; K83-C85 PolarHBondContact O-N 2.99Å; K83-C85 VanDerWaalsContact O-N 3.13Å
86T95.9Very high97.4Very high1 Ų142.4 Ų42.41%0.00622%0.217CC..  trans-64.5142179.8-165.40000111.7I24 E67 F82 K83 K84 V88 R91I24-T86 HydrophobicContact CD1-CG2 3.91Å; E67-T86 WeakPolarHBondContact CG-OG1 3.35Å; E67-T86 WeakPolarHBondContact OE2-CA 3.45Å; E67-T86 VanDerWaalsContact OE2-CB 3.31Å; E67-T86 WeakPolarHBondContact OE2-CB 3.15Å; E67-T86 PolarHBondContact OE2-OG1 3.17Å; F82-T86 HydrophobicContact CB-CG2 4.04Å; K83-T86 WeakPolarHBondContact O-CB 3.16Å; K83-T86 WeakPolarHBondContact O-CG2 3.04Å; K83-T86 PolarHBondContact O-N 3.36Å; K84-T86 VanDerWaalsContact C-N 3.3Å; K84-T86 PolarHBondContact O-N 3.27Å; T86-V88 PolarHBondContact OG1-N 3.31Å; T86-R91 WeakPolarHBondContact O-CD 3.3Å; T86-R91 WeakPolarHBondContact O-CG 3.44Å; T86-R91 PolarHBondContact O-NH1 2.77Å
87E96.6Very high97.4Very high159 Ų15941.2 Ų41.274%0.74321%0.212SC*.  trans-113.47.1173.1-61.3-171.5157.800111.9F89 N90E87-F89 PolarHBondContact O-N 3.5Å; E87-N90 WeakPolarHBondContact O-CA 3.4Å; E87-N90 PolarHBondContact O-N 3.26Å
88V96.3Very high97.4Very high34 Ų3443.4 Ų43.421%0.20623%0.227CC..G310 helixtrans-52.9129.3-177.6153.20000111E67 T86 N90 R91 I96E67-V88 HydrophobicContact CB-CG2 4.36Å; E67-V88 HydrophobicContact CG-CB 4.4Å; E67-V88 HydrophobicContact CG-CG2 3.5Å; E67-V88 VanDerWaalsContact CG-CG2 3.5Å; T86-V88 PolarHBondContact OG1-N 3.31Å; V88-N90 PolarHBondContact O-N 3.03Å; V88-N90 VanDerWaalsContact O-N 3.14Å; V88-R91 WeakPolarHBondContact O-CA 3.4Å; V88-R91 PolarHBondContact O-N 3.07Å; V88-I96 HydrophobicContact CG1-CG1 4.47Å
89F96.4Very high97.3Very high78 Ų7844.9 Ų44.934%0.34224%0.237SC..G310 helixtrans52.928.7-176.3-52.5-54.2000115E87 R91 R92 K95 I96 T99E87-F89 PolarHBondContact O-N 3.5Å; F89-R91 PolarHBondContact O-N 2.89Å; F89-R92 WeakPolarHBondContact O-CB 3.17Å; F89-R92 WeakPolarHBondContact O-CG 3.49Å; F89-R92 PolarHBondContact O-N 3.07Å; F89-R92 PolarHBondContact O-NE 3.15Å; F89-K95 HydrophobicContact CB-CB 3.65Å; F89-K95 HydrophobicContact CB-CG 4.3Å; F89-K95 HydrophobicContact CD2-CB 3.84Å; F89-K95 HydrophobicContact CG-CB 3.76Å; F89-I96 HydrophobicContact CD2-CG1 4.13Å; F89-T99 HydrophobicContact CE2-CG2 3.86Å; F89-T99 WeakPolarHBondContact CE2-OG1 3.45Å; F89-T99 HydrophobicContact CZ-CG2 3.9Å
90N96.8Very high97.3Very high127 Ų12744.9 Ų44.968%0.67924%0.237SC*.G310 helixtrans55.835.4-171.2-54.7-31.5000112E87 V88 R92E87-N90 WeakPolarHBondContact O-CA 3.4Å; E87-N90 PolarHBondContact O-N 3.26Å; V88-N90 PolarHBondContact O-N 3.03Å; V88-N90 VanDerWaalsContact O-N 3.14Å; N90-R92 PolarHBondContact O-N 2.96Å; N90-R92 VanDerWaalsContact O-N 3.09Å
91R97.9Very high97.3Very high21 Ų2145.9 Ų45.98%0.07924%0.243CC..G310 helixtrans58.119.9-177.9-56.217866.783.5-4.5114.6C18 L19 T22 K84 T86 V88 F89 A93C18-R91 HydrophobicContact CB-CB 4.12Å; C18-R91 WeakPolarHBondContact CB-O 3.36Å; C18-R91 PolarHBondContact N-O 3.15Å; C18-R91 PolarHBondContact O-NE 2.81Å; C18-R91 VanDerWaalsContact O-NE 3.17Å; C18-R91 PolarHBondContact SG-O 3.49Å; L19-R91 PolarHBondContact O-NE 3.17Å; L19-R91 PolarHBondContact O-NH2 2.79Å; T22-R91 PolarHBondContact O-NH2 2.87Å; T22-R91 PolarHBondContact OG1-NH2 3.39Å; K84-R91 PolarHBondContact O-NH1 2.78Å; T86-R91 WeakPolarHBondContact O-CD 3.3Å; T86-R91 WeakPolarHBondContact O-CG 3.44Å; T86-R91 PolarHBondContact O-NH1 2.77Å; V88-R91 WeakPolarHBondContact O-CA 3.4Å; V88-R91 PolarHBondContact O-N 3.07Å; F89-R91 PolarHBondContact O-N 2.89Å; R91-A93 PolarHBondContact O-N 3.43Å
92R97.7Very high97.3Very high77 Ų7749.1 Ų49.129%0.29127%0.265SS..BIsolated β-bridgetrans-65115.8178.1-71.8-174.5-64.3171.7-4.5110.9V15 D16 F89 N90 S94 K95 I96V15-R92 HydrophobicContact CG1-CG 4.42Å; D16-R92 WeakPolarHBondContact O-CA 3.46Å; F89-R92 WeakPolarHBondContact O-CB 3.17Å; F89-R92 WeakPolarHBondContact O-CG 3.49Å; F89-R92 PolarHBondContact O-N 3.07Å; F89-R92 PolarHBondContact O-NE 3.15Å; N90-R92 PolarHBondContact O-N 2.96Å; N90-R92 VanDerWaalsContact O-N 3.09Å; R92-S94 VanDerWaalsContact C-N 3.31Å; R92-S94 PolarHBondContact O-N 3.2Å; R92-K95 HydrophobicContact CB-CB 4.15Å; R92-K95 HydrophobicContact CB-CG 4.19Å; R92-K95 PolarHBondContact O-N 3.48Å; R92-K95 VanDerWaalsContact O-N 3.15Å; R92-I96 WeakPolarHBondContact O-CG1 3.41Å; R92-I96 PolarHBondContact O-N 3.04Å
93A98.3Very high97.4Very high21 Ų2151.1 Ų51.117%0.17428%0.276CS..Hα-helixtrans-57-45.8-175.800000111.3D16 R91 K95 I96 S97 V131D16-A93 PolarHBondContact O-N 3.04Å; R91-A93 PolarHBondContact O-N 3.43Å; A93-K95 PolarHBondContact O-N 2.94Å; A93-I96 PolarHBondContact O-N 2.84Å; A93-S97 VanDerWaalsContact O-CB 3.3Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.23Å; A93-V131 HydrophobicContact CB-CB 4.24Å; A93-V131 HydrophobicContact CB-CG1 4.22Å; A93-V131 HydrophobicContact CB-CG2 4.17Å
94S97.8Very high97.5Very high56 Ų5648.1 Ų48.139%0.39226%0.263SS..Hα-helixtrans-54.9-45.6176.754.40000112.8D16 R92 S98D16-S94 PolarHBondContact OD1-OG 2.71Å; D16-S94 WeakPolarHBondContact OD2-CA 3.4Å; D16-S94 WeakPolarHBondContact OD2-CB 3.06Å; D16-S94 PolarHBondContact OD2-N 3.04Å; D16-S94 PolarHBondContact OD2-OG 2.91Å; R92-S94 VanDerWaalsContact C-N 3.31Å; R92-S94 PolarHBondContact O-N 3.2Å; S94-S98 WeakPolarHBondContact O-CB 3.23Å; S94-S98 PolarHBondContact O-N 3.13Å; S94-S98 PolarHBondContact O-OG 2.96Å
95K97.3Very high97.7Very high88 Ų8848.5 Ų48.538%0.38327%0.267SS..Hα-helixtrans-69.9-42.5177.9-71.5-61.6-174.7-174.70112.3F89 R92 A93 S98 T99F89-K95 HydrophobicContact CB-CB 3.65Å; F89-K95 HydrophobicContact CB-CG 4.3Å; F89-K95 HydrophobicContact CD2-CB 3.84Å; F89-K95 HydrophobicContact CG-CB 3.76Å; R92-K95 HydrophobicContact CB-CB 4.15Å; R92-K95 HydrophobicContact CB-CG 4.19Å; R92-K95 PolarHBondContact O-N 3.48Å; R92-K95 VanDerWaalsContact O-N 3.15Å; A93-K95 PolarHBondContact O-N 2.94Å; K95-S98 PolarHBondContact O-OG 3.17Å; K95-T99 WeakPolarHBondContact O-CB 3.31Å; K95-T99 WeakPolarHBondContact O-CG2 3.34Å; K95-T99 PolarHBondContact O-N 3.4Å; K95-T99 PolarHBondContact O-OG1 3.46Å
96I98.3Very high97.9Very high0 Ų047.1 Ų47.10%026%0.259CS..Hα-helixtrans-63.1-50.6177.3-66.5167000109.9I24 V26 F82 V88 F89 R92 A93 T99 V100I24-I96 HydrophobicContact CD1-CD1 3.82Å; I24-I96 HydrophobicContact CG2-CD1 4.46Å; I24-I96 HydrophobicContact CG2-CG2 4.36Å; V26-I96 HydrophobicContact CG2-CG2 3.46Å; V26-I96 VanDerWaalsContact CG2-CG2 3.46Å; F82-I96 HydrophobicContact CD2-CG2 4.19Å; F82-I96 HydrophobicContact CE1-CG2 4.37Å; F82-I96 HydrophobicContact CE2-CG2 3.63Å; F82-I96 HydrophobicContact CZ-CG2 3.73Å; V88-I96 HydrophobicContact CG1-CG1 4.47Å; F89-I96 HydrophobicContact CD2-CG1 4.13Å; R92-I96 WeakPolarHBondContact O-CG1 3.41Å; R92-I96 PolarHBondContact O-N 3.04Å; A93-I96 PolarHBondContact O-N 2.84Å; I96-T99 PolarHBondContact O-N 2.96Å; I96-T99 PolarHBondContact O-OG1 3.38Å; I96-T99 VanDerWaalsContact O-OG1 3.12Å; I96-V100 WeakPolarHBondContact O-CB 3.49Å; I96-V100 VanDerWaalsContact O-CG2 3.29Å; I96-V100 WeakPolarHBondContact O-CG2 3.5Å; I96-V100 PolarHBondContact O-N 2.85Å; I96-V100 VanDerWaalsContact O-N 3.09Å
97S98.5Very high98Very high13 Ų1347.3 Ų47.39%0.09126%0.26CS..Hα-helixtrans-58.5-53.8178.9-150.20000112A93 T99 V100 V101 S129A93-S97 VanDerWaalsContact O-CB 3.3Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.23Å; S97-T99 VanDerWaalsContact C-N 3.34Å; S97-T99 PolarHBondContact O-N 3.47Å; S97-V100 PolarHBondContact O-N 3.49Å; S97-V101 VanDerWaalsContact O-CG1 3.32Å; S97-V101 WeakPolarHBondContact O-CG1 3.46Å; S97-V101 PolarHBondContact O-N 3.13Å; S97-S129 VanDerWaalsContact OG-CB 3.31Å; S97-S129 WeakPolarHBondContact OG-CB 3.25Å; S97-S129 PolarHBondContact OG-OG 3.42Å
98S98.2Very high98.1Very high52 Ų5239.8 Ų39.836%0.36423%0.225SC..Hα-helixtrans-63.9-36.5-175.856.60000112.8S94 K95 S102S94-S98 WeakPolarHBondContact O-CB 3.23Å; S94-S98 PolarHBondContact O-N 3.13Å; S94-S98 PolarHBondContact O-OG 2.96Å; K95-S98 PolarHBondContact O-OG 3.17Å; S98-S102 WeakPolarHBondContact O-CB 3.42Å; S98-S102 PolarHBondContact O-N 3.15Å; S98-S102 VanDerWaalsContact O-N 3.11Å; S98-S102 PolarHBondContact O-OG 2.78Å
99T98.2Very high98.2Very high35 Ų3540.9 Ų40.922%0.21523%0.231CC..Hα-helixtrans-74.7-36.7178.9550000112.7F89 K95 I96 S97 S102 L103F89-T99 HydrophobicContact CE2-CG2 3.86Å; F89-T99 WeakPolarHBondContact CE2-OG1 3.45Å; F89-T99 HydrophobicContact CZ-CG2 3.9Å; K95-T99 WeakPolarHBondContact O-CB 3.31Å; K95-T99 WeakPolarHBondContact O-CG2 3.34Å; K95-T99 PolarHBondContact O-N 3.4Å; K95-T99 PolarHBondContact O-OG1 3.46Å; I96-T99 PolarHBondContact O-N 2.96Å; I96-T99 PolarHBondContact O-OG1 3.38Å; I96-T99 VanDerWaalsContact O-OG1 3.12Å; S97-T99 VanDerWaalsContact C-N 3.34Å; S97-T99 PolarHBondContact O-N 3.47Å; T99-S102 PolarHBondContact O-OG 3.18Å; T99-L103 VanDerWaalsContact O-CB 3.28Å; T99-L103 WeakPolarHBondContact O-CB 3.42Å; T99-L103 PolarHBondContact O-N 3.32Å
100V98.8Very high98.3Very high0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-66.9-51.7175.6168.70000110.8V26 L28 V61 F80 F82 I96 S97 S102 L103 F104V26-V100 HydrophobicContact CB-CG1 4.23Å; V26-V100 HydrophobicContact CG1-CB 4.06Å; V26-V100 HydrophobicContact CG1-CG1 3.81Å; V26-V100 HydrophobicContact CG2-CG2 4.36Å; L28-V100 HydrophobicContact CD1-CG1 4.11Å; L28-V100 HydrophobicContact CD2-CG1 4.16Å; L28-V100 HydrophobicContact CG-CG1 4.31Å; V61-V100 HydrophobicContact CG1-CG1 4.14Å; V61-V100 HydrophobicContact CG1-CG2 4.34Å; F80-V100 HydrophobicContact CD2-CG1 3.52Å; F80-V100 HydrophobicContact CE2-CG1 3.82Å; F80-V100 HydrophobicContact CG-CG1 4.07Å; F82-V100 HydrophobicContact CE2-CG2 3.96Å; F82-V100 HydrophobicContact CZ-CG2 3.76Å; I96-V100 WeakPolarHBondContact O-CB 3.49Å; I96-V100 VanDerWaalsContact O-CG2 3.29Å; I96-V100 WeakPolarHBondContact O-CG2 3.5Å; I96-V100 PolarHBondContact O-N 2.85Å; I96-V100 VanDerWaalsContact O-N 3.09Å; S97-V100 PolarHBondContact O-N 3.49Å; V100-S102 PolarHBondContact O-N 3.36Å; V100-L103 PolarHBondContact O-N 3.29Å; V100-F104 WeakPolarHBondContact O-CB 3.29Å; V100-F104 PolarHBondContact O-N 3.46Å
101V98.8Very high98.4Very high21 Ų2138.3 Ų38.313%0.12721%0.214CC..Hα-helixtrans-68.3-38.5-17672.40000112.9L28 S97 F104 T105 F127L28-V101 HydrophobicContact CD2-CB 3.7Å; L28-V101 HydrophobicContact CD2-CG2 3.84Å; S97-V101 VanDerWaalsContact O-CG1 3.32Å; S97-V101 WeakPolarHBondContact O-CG1 3.46Å; S97-V101 PolarHBondContact O-N 3.13Å; V101-F104 PolarHBondContact O-N 3.43Å; V101-T105 VanDerWaalsContact O-CB 3.31Å; V101-T105 WeakPolarHBondContact O-CB 3.26Å; V101-T105 PolarHBondContact O-N 2.66Å; V101-T105 PolarHBondContact O-OG1 2.74Å; V101-F127 HydrophobicContact CG2-CB 3.84Å; V101-F127 WeakPolarHBondContact CG2-O 3.28Å
102S98.6Very high98.5Very high67 Ų6737.7 Ų37.747%0.46921%0.212SC..Hα-helixtrans-66.3-43.8178.257.80000111.4S98 T99 V100 S106S98-S102 WeakPolarHBondContact O-CB 3.42Å; S98-S102 PolarHBondContact O-N 3.15Å; S98-S102 VanDerWaalsContact O-N 3.11Å; S98-S102 PolarHBondContact O-OG 2.78Å; T99-S102 PolarHBondContact O-OG 3.18Å; V100-S102 PolarHBondContact O-N 3.36Å; S102-S106 WeakPolarHBondContact O-CB 3.45Å; S102-S106 PolarHBondContact O-N 2.96Å; S102-S106 PolarHBondContact O-OG 3.1Å
103L98.7Very high98.5Very high43 Ų4337.6 Ų37.623%0.22522%0.221CC..Hα-helixtrans-67.8-40.3178-178.257000111.8V61 Q64 T99 V100 S106 S107V61-L103 HydrophobicContact CG2-CB 4.17Å; V61-L103 HydrophobicContact CG2-CD2 4.26Å; V61-L103 HydrophobicContact CG2-CG 4Å; Q64-L103 HydrophobicContact CB-CD2 3.49Å; Q64-L103 VanDerWaalsContact CB-CD2 3.49Å; Q64-L103 HydrophobicContact CG-CD2 3.84Å; T99-L103 VanDerWaalsContact O-CB 3.28Å; T99-L103 WeakPolarHBondContact O-CB 3.42Å; T99-L103 PolarHBondContact O-N 3.32Å; V100-L103 PolarHBondContact O-N 3.29Å; L103-S106 WeakPolarHBondContact CA-OG 3.29Å; L103-S106 PolarHBondContact O-OG 2.89Å; L103-S106 VanDerWaalsContact O-OG 3.08Å; L103-S107 WeakPolarHBondContact O-CB 3.42Å; L103-S107 PolarHBondContact O-N 3.45Å; L103-S107 PolarHBondContact O-OG 3.42Å
104F98.9Very high98.5Very high3 Ų341.8 Ų41.81%0.01324%0.241CC..Hα-helixtrans-61-51.7174.7-172.8-91.9000111.4L28 S54 A58 V61 F78 F80 V100 V101 S106 S107 Y108 F127L28-F104 HydrophobicContact CD1-CB 3.45Å; L28-F104 VanDerWaalsContact CD1-CB 3.45Å; L28-F104 HydrophobicContact CD1-CD1 3.82Å; L28-F104 HydrophobicContact CD1-CD2 4.04Å; L28-F104 HydrophobicContact CD1-CG 3.49Å; L28-F104 VanDerWaalsContact CD1-CG 3.49Å; S54-F104 WeakPolarHBondContact O-CE2 3.35Å; A58-F104 HydrophobicContact CB-CE2 4.11Å; V61-F104 HydrophobicContact CG2-CB 3.88Å; V61-F104 HydrophobicContact CG2-CD2 4.32Å; F78-F104 HydrophobicContact CB-CE2 4.27Å; F78-F104 HydrophobicContact CD2-CE2 4.06Å; F78-F104 HydrophobicContact CD2-CZ 4.31Å; F78-F104 HydrophobicContact CG-CE2 4.36Å; F80-F104 HydrophobicContact CE2-CD2 4.43Å; F80-F104 AromaticContact CZ-CD2 3.92Å; F80-F104 HydrophobicContact CZ-CD2 3.92Å; F80-F104 HydrophobicContact CZ-CE2 4.36Å; V100-F104 WeakPolarHBondContact O-CB 3.29Å; V100-F104 PolarHBondContact O-N 3.46Å; V101-F104 PolarHBondContact O-N 3.43Å; F104-S106 PolarHBondContact O-N 3.43Å; F104-S107 PolarHBondContact O-N 3.11Å; F104-Y108 HydrophobicContact CE1-CD2 4.2Å; F104-Y108 WeakPolarHBondContact O-CB 3.39Å; F104-Y108 PolarHBondContact O-N 2.86Å; F104-F127 HydrophobicContact CD1-CD1 4.27Å; F104-F127 HydrophobicContact CD1-CD2 4.03Å; F104-F127 HydrophobicContact CD1-CE1 4.32Å; F104-F127 HydrophobicContact CD1-CE2 4.06Å; F104-F127 HydrophobicContact CD1-CG 4.14Å; F104-F127 HydrophobicContact CD1-CZ 4.22Å; F104-F127 AromaticContact CE1-CD1 3.97Å; F104-F127 HydrophobicContact CE1-CD1 3.97Å; F104-F127 HydrophobicContact CE1-CD2 4.23Å; F104-F127 AromaticContact CE1-CE1 3.63Å; F104-F127 HydrophobicContact CE1-CE1 3.63Å; F104-F127 AromaticContact CE1-CE2 3.91Å; F104-F127 HydrophobicContact CE1-CE2 3.91Å; F104-F127 HydrophobicContact CE1-CG 4.27Å; F104-F127 AromaticContact CE1-CZ 3.6Å; F104-F127 HydrophobicContact CE1-CZ 3.6Å
105T98.8Very high98.5Very high29 Ų2942 Ų4218%0.17823%0.233CC..Hα-helixtrans-62.3-45.9-177.5-53.10000111.7V101 S107 Y108 V109 P125 F127V101-T105 VanDerWaalsContact O-CB 3.31Å; V101-T105 WeakPolarHBondContact O-CB 3.26Å; V101-T105 PolarHBondContact O-N 2.66Å; V101-T105 PolarHBondContact O-OG1 2.74Å; T105-S107 VanDerWaalsContact C-N 3.35Å; T105-S107 PolarHBondContact O-N 3.36Å; T105-Y108 WeakPolarHBondContact O-CB 3.19Å; T105-Y108 PolarHBondContact O-N 3.11Å; T105-V109 PolarHBondContact O-N 3.1Å; T105-V109 VanDerWaalsContact O-N 3.12Å; T105-P125 WeakPolarHBondContact CG2-O 3.44Å; T105-F127 HydrophobicContact CG2-CD2 4.16Å; T105-F127 WeakPolarHBondContact OG1-CD2 3.47Å
106S98.7Very high98.6Very high65 Ų6537.9 Ų37.946%0.45522%0.216SC..Hα-helixtrans-64.5-39.1176.954.20000112.1S102 L103 F104 V109 F110S102-S106 WeakPolarHBondContact O-CB 3.45Å; S102-S106 PolarHBondContact O-N 2.96Å; S102-S106 PolarHBondContact O-OG 3.1Å; L103-S106 WeakPolarHBondContact CA-OG 3.29Å; L103-S106 PolarHBondContact O-OG 2.89Å; L103-S106 VanDerWaalsContact O-OG 3.08Å; F104-S106 PolarHBondContact O-N 3.43Å; S106-V109 PolarHBondContact O-N 3.21Å; S106-F110 WeakPolarHBondContact O-CB 3.39Å; S106-F110 PolarHBondContact O-N 3.06Å
107S98.7Very high98.5Very high5 Ų542.5 Ų42.54%0.03525%0.245CC..Hα-helixtrans-63.9-40.5173.7-60.90000111.7R60 L103 F104 T105 V109 F110 E111R60-S107 VanDerWaalsContact CD-OG 3.29Å; R60-S107 WeakPolarHBondContact CD-OG 3.36Å; L103-S107 WeakPolarHBondContact O-CB 3.42Å; L103-S107 PolarHBondContact O-N 3.45Å; L103-S107 PolarHBondContact O-OG 3.42Å; F104-S107 PolarHBondContact O-N 3.11Å; T105-S107 VanDerWaalsContact C-N 3.35Å; T105-S107 PolarHBondContact O-N 3.36Å; S107-V109 VanDerWaalsContact C-N 3.34Å; S107-V109 PolarHBondContact O-N 3Å; S107-F110 PolarHBondContact O-N 3.45Å; S107-E111 VanDerWaalsContact O-CB 3.26Å; S107-E111 WeakPolarHBondContact O-CB 3.49Å; S107-E111 WeakPolarHBondContact O-CG 3.41Å; S107-E111 PolarHBondContact O-N 3.24Å
108Y98.7Very high98.5Very high1 Ų148.9 Ų48.90%0.00428%0.279CS..Hα-helixtrans-59.6-44.9177.8-164.6-77.9000111.4F33 F36 L53 F104 T105 W112 P125 F127F33-Y108 HydrophobicContact CZ-CE1 4.47Å; F33-Y108 HydrophobicContact CZ-CE2 4.3Å; F33-Y108 AromaticContact CZ-CZ 3.87Å; F36-Y108 HydrophobicContact CE1-CE1 4.22Å; F36-Y108 HydrophobicContact CZ-CE1 4.12Å; L53-Y108 HydrophobicContact CD2-CD1 3.83Å; L53-Y108 HydrophobicContact CD2-CD2 4.18Å; L53-Y108 HydrophobicContact CD2-CE1 3.48Å; L53-Y108 VanDerWaalsContact CD2-CE1 3.48Å; L53-Y108 HydrophobicContact CD2-CE2 3.84Å; L53-Y108 HydrophobicContact CD2-CG 4.16Å; L53-Y108 VanDerWaalsContact CD2-CZ 3.47Å; L53-Y108 HydrophobicContact CG-CD1 4.39Å; L53-Y108 HydrophobicContact CG-CD2 3.96Å; L53-Y108 HydrophobicContact CG-CE1 4.31Å; L53-Y108 HydrophobicContact CG-CE2 3.85Å; L53-Y108 HydrophobicContact CG-CG 4.23Å; F104-Y108 HydrophobicContact CE1-CD2 4.2Å; F104-Y108 WeakPolarHBondContact O-CB 3.39Å; F104-Y108 PolarHBondContact O-N 2.86Å; T105-Y108 WeakPolarHBondContact O-CB 3.19Å; T105-Y108 PolarHBondContact O-N 3.11Å; Y108-W112 HydrophobicContact CD1-CE3 4.27Å; Y108-W112 AromaticContact CE1-CE3 3.66Å; Y108-W112 HydrophobicContact CE1-CE3 3.66Å; Y108-W112 AromaticContact CE1-CZ3 3.7Å; Y108-W112 HydrophobicContact CE1-CZ3 3.7Å; Y108-W112 PolarHBondContact O-N 3.46Å; Y108-W112 VanDerWaalsContact O-N 3.11Å; Y108-P125 HydrophobicContact CD1-CG 3.73Å; Y108-P125 HydrophobicContact CE1-CG 4.15Å; Y108-F127 HydrophobicContact CD2-CE2 4.22Å; Y108-F127 AromaticContact CD2-CZ 3.87Å; Y108-F127 HydrophobicContact CD2-CZ 3.87Å; Y108-F127 HydrophobicContact CE2-CZ 4.05Å; Y108-F127 HydrophobicContact CG-CE2 4.2Å; Y108-F127 HydrophobicContact CG-CZ 4.28Å
109V98.7Very high98.5Very high57 Ų5747.5 Ų47.535%0.34527%0.268SS..Hα-helixtrans-68.3-44.6175.6176.20000111.5T105 S106 S107 E111 W112 L121 P125T105-V109 PolarHBondContact O-N 3.1Å; T105-V109 VanDerWaalsContact O-N 3.12Å; S106-V109 PolarHBondContact O-N 3.21Å; S107-V109 VanDerWaalsContact C-N 3.34Å; S107-V109 PolarHBondContact O-N 3Å; V109-E111 VanDerWaalsContact C-N 3.31Å; V109-E111 PolarHBondContact O-N 3.44Å; V109-W112 WeakPolarHBondContact O-CB 3.42Å; V109-W112 PolarHBondContact O-N 3.22Å; V109-L121 HydrophobicContact CB-CD2 4.39Å; V109-L121 HydrophobicContact CG1-CD2 3.96Å; V109-L121 HydrophobicContact CG2-CD2 4.06Å; V109-P125 HydrophobicContact CG2-CG 4.08Å
110F98.6Very high98.5Very high141 Ų14150.3 Ų50.362%0.61829%0.287SS*.Hα-helixtrans-63.3-37.9-177.7-175.4-92.4000112.4S106 S107S106-F110 WeakPolarHBondContact O-CB 3.39Å; S106-F110 PolarHBondContact O-N 3.06Å; S107-F110 PolarHBondContact O-N 3.45Å
111E98.6Very high98.4Very high10 Ų1052.6 Ų52.65%0.04730%0.299CS..Hα-helixtrans-91.1-12.9-177.2-68.7-65.8141.800114.1L53 R56 R60 S107 V109 P113 N114 Y115L53-E111 HydrophobicContact CD1-CB 3.5Å; L53-E111 VanDerWaalsContact CD1-CB 3.5Å; R56-E111 HydrophobicContact CG-CB 4.41Å; R56-E111 HydrophobicContact CG-CG 3.91Å; R56-E111 IonicContact NE-OE2 3.23Å; R60-E111 IonicContact CZ-OE1 3.27Å; R60-E111 IonicContact NH1-OE1 3.66Å; R60-E111 PolarHBondContact NH1-OE1 2.72Å; R60-E111 IonicContact NH1-OE2 2.78Å; R60-E111 IonicContact NH2-OE1 2.78Å; R60-E111 PolarHBondContact NH2-OE1 3.12Å; S107-E111 VanDerWaalsContact O-CB 3.26Å; S107-E111 WeakPolarHBondContact O-CB 3.49Å; S107-E111 WeakPolarHBondContact O-CG 3.41Å; S107-E111 PolarHBondContact O-N 3.24Å; V109-E111 VanDerWaalsContact C-N 3.31Å; V109-E111 PolarHBondContact O-N 3.44Å; E111-P113 VanDerWaalsContact C-CD 3.44Å; E111-N114 WeakPolarHBondContact O-CB 3.5Å; E111-N114 PolarHBondContact O-N 2.88Å; E111-N114 PolarHBondContact OE2-ND2 2.85Å; E111-Y115 HydrophobicContact CB-CD2 4.47Å; E111-Y115 HydrophobicContact CB-CE2 4.31Å; E111-Y115 WeakPolarHBondContact O-CD2 3.14Å
112W98.8Very high98.4Very high8 Ų856.6 Ų56.63%0.0332%0.319CS..Hα-helixtrans-40.7-53.2178.8-178.3-84.5000114.6F36 H40 F42 L53 Y108 V109 N114 Y115 F116 T119 L121F36-W112 AromaticContact CE1-CH2 3.87Å; F36-W112 HydrophobicContact CE1-CH2 3.87Å; F36-W112 AromaticContact CE1-CZ3 3.64Å; F36-W112 HydrophobicContact CE1-CZ3 3.64Å; F36-W112 HydrophobicContact CZ-CE3 4.35Å; F36-W112 AromaticContact CZ-CH2 3.73Å; F36-W112 HydrophobicContact CZ-CH2 3.73Å; F36-W112 AromaticContact CZ-CZ3 3.47Å; F36-W112 HydrophobicContact CZ-CZ3 3.47Å; F36-W112 VanDerWaalsContact CZ-CZ3 3.47Å; H40-W112 HydrophobicContact CB-CH2 3.87Å; H40-W112 HydrophobicContact CB-CZ2 4.17Å; H40-W112 AromaticContact CD2-CH2 3.73Å; H40-W112 AromaticContact CD2-CZ2 3.57Å; H40-W112 AromaticContact CG-CH2 3.76Å; F42-W112 AromaticContact CE1-CH2 3.93Å; F42-W112 HydrophobicContact CE1-CH2 3.93Å; F42-W112 HydrophobicContact CE1-CZ3 4.43Å; F42-W112 HydrophobicContact CZ-CH2 4.32Å; F42-W112 HydrophobicContact CZ-CZ3 4.37Å; L53-W112 HydrophobicContact CD2-CD2 4.36Å; L53-W112 HydrophobicContact CD2-CE3 3.5Å; L53-W112 VanDerWaalsContact CD2-CE3 3.5Å; L53-W112 HydrophobicContact CD2-CZ3 4.07Å; Y108-W112 HydrophobicContact CD1-CE3 4.27Å; Y108-W112 AromaticContact CE1-CE3 3.66Å; Y108-W112 HydrophobicContact CE1-CE3 3.66Å; Y108-W112 AromaticContact CE1-CZ3 3.7Å; Y108-W112 HydrophobicContact CE1-CZ3 3.7Å; Y108-W112 PolarHBondContact O-N 3.46Å; Y108-W112 VanDerWaalsContact O-N 3.11Å; V109-W112 WeakPolarHBondContact O-CB 3.42Å; V109-W112 PolarHBondContact O-N 3.22Å; W112-N114 PolarHBondContact O-N 3.03Å; W112-N114 VanDerWaalsContact O-N 3.12Å; W112-Y115 PolarHBondContact O-N 2.86Å; W112-F116 HydrophobicContact CD2-CB 4.19Å; W112-F116 AromaticContact CD2-CD2 3.91Å; W112-F116 HydrophobicContact CD2-CD2 3.91Å; W112-F116 HydrophobicContact CD2-CG 4.26Å; W112-F116 AromaticContact CE2-CD2 3.93Å; W112-F116 AromaticContact CE2-CG 3.81Å; W112-F116 AromaticContact CE3-CD2 3.88Å; W112-F116 HydrophobicContact CE3-CD2 3.88Å; W112-F116 HydrophobicContact CE3-CE2 4.23Å; W112-F116 HydrophobicContact CG-CB 4.44Å; W112-F116 HydrophobicContact CH2-CD1 4.32Å; W112-F116 AromaticContact CH2-CD2 3.99Å; W112-F116 HydrophobicContact CH2-CD2 3.99Å; W112-F116 HydrophobicContact CH2-CE1 4.43Å; W112-F116 HydrophobicContact CH2-CE2 4.12Å; W112-F116 HydrophobicContact CH2-CG 4.1Å; W112-F116 HydrophobicContact CH2-CZ 4.33Å; W112-F116 HydrophobicContact CZ2-CB 3.93Å; W112-F116 HydrophobicContact CZ2-CD1 4.09Å; W112-F116 AromaticContact CZ2-CD2 4Å; W112-F116 HydrophobicContact CZ2-CD2 4Å; W112-F116 AromaticContact CZ2-CG 3.75Å; W112-F116 HydrophobicContact CZ2-CG 3.75Å; W112-F116 AromaticContact CZ3-CD2 3.9Å; W112-F116 HydrophobicContact CZ3-CD2 3.9Å; W112-F116 AromaticContact CZ3-CE2 3.9Å; W112-F116 HydrophobicContact CZ3-CE2 3.9Å; W112-F116 HydrophobicContact CZ3-CG 4.46Å; W112-F116 HydrophobicContact CZ3-CZ 4.46Å; W112-F116 PolarHBondContact O-N 3.18Å; W112-T119 HydrophobicContact CZ2-CG2 4.34Å; W112-T119 PolarHBondContact NE1-O 2.84Å; W112-L121 HydrophobicContact CD2-CB 4.11Å; W112-L121 HydrophobicContact CD2-CD1 3.81Å; W112-L121 HydrophobicContact CD2-CG 4.44Å; W112-L121 HydrophobicContact CE3-CD1 3.81Å; W112-L121 HydrophobicContact CG-CB 4.05Å; W112-L121 HydrophobicContact CG-CD1 4.46Å; W112-L121 HydrophobicContact CH2-CD1 4.07Å; W112-L121 HydrophobicContact CZ2-CD1 4.08Å; W112-L121 HydrophobicContact CZ3-CD1 3.96Å
113P98.4Very high98.4Very high75 Ų7557.1 Ų57.149%0.48731%0.311SS..Hα-helixtrans-63.7-20.1-177.124.7-35000114.5E111 Y115E111-P113 VanDerWaalsContact C-CD 3.44Å; P113-Y115 VanDerWaalsContact C-N 3.32Å
114N98.5Very high98.3Very high108 Ų10860.1 Ų60.158%0.57833%0.333SS*.Hα-helixtrans-75.6-23.1176.7-62.5-29.6000112.5E111 W112E111-N114 WeakPolarHBondContact O-CB 3.5Å; E111-N114 PolarHBondContact O-N 2.88Å; E111-N114 PolarHBondContact OE2-ND2 2.85Å; W112-N114 PolarHBondContact O-N 3.03Å; W112-N114 VanDerWaalsContact O-N 3.12Å
115Y98.5Very high98.3Very high61 Ų6160.4 Ų60.424%0.23934%0.335CS..Hα-helixtrans-110.3-26.8-177.6-66.8-88.3000112.7R49 L52 L53 R56 E111 W112 P113 P117R49-Y115 WeakPolarHBondContact CB-O 3.29Å; R49-Y115 WeakPolarHBondContact CD-O 3.41Å; R49-Y115 WeakPolarHBondContact CG-O 3.48Å; L52-Y115 HydrophobicContact CB-CD1 3.85Å; L52-Y115 HydrophobicContact CB-CE1 3.51Å; L53-Y115 HydrophobicContact CB-CD1 4.37Å; L53-Y115 HydrophobicContact CB-CD2 3.95Å; L53-Y115 HydrophobicContact CB-CG 3.86Å; L53-Y115 HydrophobicContact CD1-CD2 3.66Å; L53-Y115 HydrophobicContact CD1-CE2 4.14Å; L53-Y115 HydrophobicContact CD1-CG 4.37Å; L53-Y115 HydrophobicContact CG-CD2 4.38Å; R56-Y115 HydrophobicContact CB-CE2 3.97Å; R56-Y115 WeakPolarHBondContact CB-OH 3.42Å; R56-Y115 HydrophobicContact CG-CE2 4.09Å; E111-Y115 HydrophobicContact CB-CD2 4.47Å; E111-Y115 HydrophobicContact CB-CE2 4.31Å; E111-Y115 WeakPolarHBondContact O-CD2 3.14Å; W112-Y115 PolarHBondContact O-N 2.86Å; P113-Y115 VanDerWaalsContact C-N 3.32Å; Y115-P117 WeakPolarHBondContact O-CD 3.29Å
116F98.4Very high98.3Very high2 Ų260.9 Ų60.91%0.00934%0.342CS..  trans-124.362.8180-69.7-87.2000110.6F42 R49 L53 W112 D118 T119F42-F116 AromaticContact CD1-CE1 3.96Å; F42-F116 HydrophobicContact CD1-CE1 3.96Å; F42-F116 HydrophobicContact CD1-CZ 4.09Å; F42-F116 AromaticContact CE1-CE1 3.51Å; F42-F116 HydrophobicContact CE1-CE1 3.51Å; F42-F116 HydrophobicContact CE1-CE2 4.27Å; F42-F116 AromaticContact CE1-CZ 3.34Å; F42-F116 HydrophobicContact CE1-CZ 3.34Å; F42-F116 HydrophobicContact CE2-CZ 4.23Å; F42-F116 HydrophobicContact CZ-CE1 4.11Å; F42-F116 HydrophobicContact CZ-CE2 4.13Å; F42-F116 AromaticContact CZ-CZ 3.43Å; F42-F116 HydrophobicContact CZ-CZ 3.43Å; F42-F116 VanDerWaalsContact CZ-CZ 3.43Å; R49-F116 HydrophobicContact CB-CD1 4.34Å; R49-F116 HydrophobicContact CB-CD2 4.37Å; R49-F116 HydrophobicContact CB-CE1 3.84Å; R49-F116 HydrophobicContact CB-CE2 3.86Å; R49-F116 HydrophobicContact CB-CZ 3.56Å; L53-F116 HydrophobicContact CD2-CD2 4.11Å; L53-F116 HydrophobicContact CD2-CE2 3.93Å; W112-F116 HydrophobicContact CD2-CB 4.19Å; W112-F116 AromaticContact CD2-CD2 3.91Å; W112-F116 HydrophobicContact CD2-CD2 3.91Å; W112-F116 HydrophobicContact CD2-CG 4.26Å; W112-F116 AromaticContact CE2-CD2 3.93Å; W112-F116 AromaticContact CE2-CG 3.81Å; W112-F116 AromaticContact CE3-CD2 3.88Å; W112-F116 HydrophobicContact CE3-CD2 3.88Å; W112-F116 HydrophobicContact CE3-CE2 4.23Å; W112-F116 HydrophobicContact CG-CB 4.44Å; W112-F116 HydrophobicContact CH2-CD1 4.32Å; W112-F116 AromaticContact CH2-CD2 3.99Å; W112-F116 HydrophobicContact CH2-CD2 3.99Å; W112-F116 HydrophobicContact CH2-CE1 4.43Å; W112-F116 HydrophobicContact CH2-CE2 4.12Å; W112-F116 HydrophobicContact CH2-CG 4.1Å; W112-F116 HydrophobicContact CH2-CZ 4.33Å; W112-F116 HydrophobicContact CZ2-CB 3.93Å; W112-F116 HydrophobicContact CZ2-CD1 4.09Å; W112-F116 AromaticContact CZ2-CD2 4Å; W112-F116 HydrophobicContact CZ2-CD2 4Å; W112-F116 AromaticContact CZ2-CG 3.75Å; W112-F116 HydrophobicContact CZ2-CG 3.75Å; W112-F116 AromaticContact CZ3-CD2 3.9Å; W112-F116 HydrophobicContact CZ3-CD2 3.9Å; W112-F116 AromaticContact CZ3-CE2 3.9Å; W112-F116 HydrophobicContact CZ3-CE2 3.9Å; W112-F116 HydrophobicContact CZ3-CG 4.46Å; W112-F116 HydrophobicContact CZ3-CZ 4.46Å; W112-F116 PolarHBondContact O-N 3.18Å; F116-D118 VanDerWaalsContact C-N 3.26Å; F116-D118 PolarHBondContact O-N 2.81Å; F116-T119 PolarHBondContact O-N 2.98Å
117P97.6Very high98.3Very high96 Ų9658.5 Ų58.562%0.62332%0.324SS*.THydrogen-bonded Turntrans-61.7-35.1-175.825.1-34.5000112.6Y115Y115-P117 WeakPolarHBondContact O-CD 3.29Å
118D97.4Very high98.2Very high148 Ų14860.5 Ų60.579%0.79133%0.334SS*.THydrogen-bonded Turntrans-99.31.6-176.5-52.3-58.4000113.3F116F116-D118 VanDerWaalsContact C-N 3.26Å; F116-D118 PolarHBondContact O-N 2.81Å
119T97.9Very high98.2Very high23 Ų2362.4 Ų62.414%0.14135%0.348CS..SBendtrans-124.6102.4-177.3-56.20000109.2H40 W112 F116H40-T119 HydrophobicContact CB-CG2 4.27Å; W112-T119 HydrophobicContact CZ2-CG2 4.34Å; W112-T119 PolarHBondContact NE1-O 2.84Å; F116-T119 PolarHBondContact O-N 2.98Å
120P97.6Very high98.2Very high93 Ų9365 Ų6560%0.60435%0.351SS*.  trans-65.5145179.127.6-34.1000110.9L122P120-L122 HydrophobicContact CG-CD2 4.37Å; P120-L122 PolarHBondContact O-N 3.29Å
121L98.2Very high98.2Very high48 Ų4860.3 Ų60.325%0.25133%0.334SS..  trans-70.5110.6171.9-174.866.2000109F36 V109 W112 Y123F36-L121 HydrophobicContact CE2-CD1 3.81Å; F36-L121 HydrophobicContact CZ-CD1 3.67Å; V109-L121 HydrophobicContact CB-CD2 4.39Å; V109-L121 HydrophobicContact CG1-CD2 3.96Å; V109-L121 HydrophobicContact CG2-CD2 4.06Å; W112-L121 HydrophobicContact CD2-CB 4.11Å; W112-L121 HydrophobicContact CD2-CD1 3.81Å; W112-L121 HydrophobicContact CD2-CG 4.44Å; W112-L121 HydrophobicContact CE3-CD1 3.81Å; W112-L121 HydrophobicContact CG-CB 4.05Å; W112-L121 HydrophobicContact CG-CD1 4.46Å; W112-L121 HydrophobicContact CH2-CD1 4.07Å; W112-L121 HydrophobicContact CZ2-CD1 4.08Å; W112-L121 HydrophobicContact CZ3-CD1 3.96Å; L121-Y123 WeakPolarHBondContact CD1-O 3.35Å; L121-Y123 WeakPolarHBondContact CG-O 3.4Å
122L98.2Very high98.2Very high105 Ų10562 Ų6255%0.5534%0.343SS..  trans-75.3-29.8-173.3-59.5-180000112.8K39 H40 P120K39-L122 HydrophobicContact CB-CD1 4.24Å; K39-L122 VanDerWaalsContact O-CD1 3.22Å; K39-L122 WeakPolarHBondContact O-CD1 3.38Å; H40-L122 WeakPolarHBondContact NE2-CB 3.31Å; H40-L122 PolarHBondContact NE2-N 3.37Å; P120-L122 HydrophobicContact CG-CD2 4.37Å; P120-L122 PolarHBondContact O-N 3.29Å
123Y98Very high98.2Very high79 Ų7964.7 Ų64.731%0.3136%0.357SS..SBendtrans-157.6152.9176.660.1-91.5000110.4F36 K39 H40 L121F36-Y123 WeakPolarHBondContact CA-OH 3.38Å; F36-Y123 HydrophobicContact CD2-CD2 4.45Å; F36-Y123 HydrophobicContact CD2-CE1 4.49Å; F36-Y123 AromaticContact CD2-CE2 3.68Å; F36-Y123 HydrophobicContact CD2-CE2 3.68Å; F36-Y123 AromaticContact CD2-CZ 3.71Å; F36-Y123 HydrophobicContact CE2-CE2 4.35Å; F36-Y123 PolarHBondContact N-OH 3.09Å; K39-Y123 HydrophobicContact CB-CE1 4.23Å; K39-Y123 HydrophobicContact CG-CE1 4.43Å; H40-Y123 AromaticContact CE1-CE1 3.83Å; L121-Y123 WeakPolarHBondContact CD1-O 3.35Å; L121-Y123 WeakPolarHBondContact CG-O 3.4Å
124P98Very high98.2Very high105 Ų10563.2 Ų63.268%0.68234%0.342SS*.  trans-63.9129178.725.7-33.8000110.8
125P98.1Very high98.1Very high9 Ų961.7 Ų61.76%0.05834%0.338CS..  trans-71.9161.1173.931.3-32.9000110.5F33 F36 T105 Y108 V109 F127F33-P125 HydrophobicContact CE2-CB 4.26Å; F36-P125 HydrophobicContact CD2-CB 4.23Å; F36-P125 HydrophobicContact CE2-CB 3.78Å; F36-P125 HydrophobicContact CE2-CG 4.36Å; F36-P125 HydrophobicContact CZ-CB 4.16Å; F36-P125 HydrophobicContact CZ-CG 4.49Å; T105-P125 WeakPolarHBondContact CG2-O 3.44Å; Y108-P125 HydrophobicContact CD1-CG 3.73Å; Y108-P125 HydrophobicContact CE1-CG 4.15Å; V109-P125 HydrophobicContact CG2-CG 4.08Å; P125-F127 HydrophobicContact CB-CE2 4.22Å; P125-F127 HydrophobicContact CG-CE2 4.38Å
126A98.1Very high98.1Very high40 Ų4061.2 Ų61.233%0.33134%0.342SS..  trans-129.7148.2172.700000109.7Q31Q31-A126 HydrophobicContact CB-CB 4.12Å; Q31-A126 WeakPolarHBondContact CB-O 3.43Å; Q31-A126 HydrophobicContact CG-CB 4.23Å; Q31-A126 PolarHBondContact N-O 3.09Å
127F98.7Very high98Very high14 Ų1461.7 Ų61.76%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-124.6138.1175.6-67.2-90.8000108.8D29 Q31 F33 V101 F104 T105 Y108 P125D29-F127 CarbonylContact O-C 3.57Å; D29-F127 VanDerWaalsContact O-CA 3.23Å; D29-F127 WeakPolarHBondContact O-CA 3.21Å; Q31-F127 PolarHBondContact NE2-O 3.35Å; F33-F127 HydrophobicContact CE2-CE1 4.03Å; F33-F127 HydrophobicContact CE2-CE2 4.49Å; F33-F127 AromaticContact CE2-CZ 3.75Å; F33-F127 HydrophobicContact CE2-CZ 3.75Å; F33-F127 HydrophobicContact CZ-CE1 4.19Å; F33-F127 AromaticContact CZ-CZ 3.81Å; F33-F127 HydrophobicContact CZ-CZ 3.81Å; V101-F127 HydrophobicContact CG2-CB 3.84Å; V101-F127 WeakPolarHBondContact CG2-O 3.28Å; F104-F127 HydrophobicContact CD1-CD1 4.27Å; F104-F127 HydrophobicContact CD1-CD2 4.03Å; F104-F127 HydrophobicContact CD1-CE1 4.32Å; F104-F127 HydrophobicContact CD1-CE2 4.06Å; F104-F127 HydrophobicContact CD1-CG 4.14Å; F104-F127 HydrophobicContact CD1-CZ 4.22Å; F104-F127 AromaticContact CE1-CD1 3.97Å; F104-F127 HydrophobicContact CE1-CD1 3.97Å; F104-F127 HydrophobicContact CE1-CD2 4.23Å; F104-F127 AromaticContact CE1-CE1 3.63Å; F104-F127 HydrophobicContact CE1-CE1 3.63Å; F104-F127 AromaticContact CE1-CE2 3.91Å; F104-F127 HydrophobicContact CE1-CE2 3.91Å; F104-F127 HydrophobicContact CE1-CG 4.27Å; F104-F127 AromaticContact CE1-CZ 3.6Å; F104-F127 HydrophobicContact CE1-CZ 3.6Å; T105-F127 HydrophobicContact CG2-CD2 4.16Å; T105-F127 WeakPolarHBondContact OG1-CD2 3.47Å; Y108-F127 HydrophobicContact CD2-CE2 4.22Å; Y108-F127 AromaticContact CD2-CZ 3.87Å; Y108-F127 HydrophobicContact CD2-CZ 3.87Å; Y108-F127 HydrophobicContact CE2-CZ 4.05Å; Y108-F127 HydrophobicContact CG-CE2 4.2Å; Y108-F127 HydrophobicContact CG-CZ 4.28Å; P125-F127 HydrophobicContact CB-CE2 4.22Å; P125-F127 HydrophobicContact CG-CE2 4.38Å
128D98.1Very high98Very high47 Ų4763.3 Ų63.325%0.25134%0.342SS..EExtended strand (participates in β ladder)trans-76.7166.4164.790.7-10.5000109.7L28 D29 Q31 R130L28-D128 WeakPolarHBondContact CA-O 3.13Å; D29-D128 WeakPolarHBondContact CB-OD1 3.31Å; D29-D128 PolarHBondContact N-O 3.01Å; D29-D128 PolarHBondContact N-OD1 3.42Å; D29-D128 VanDerWaalsContact N-OD1 3.1Å; D29-D128 PolarHBondContact O-N 2.95Å; Q31-D128 HydrophobicContact CG-CB 4.38Å; D128-R130 IonicContact OD2-CZ 3.85Å; D128-R130 IonicContact OD2-NE 3.98Å; D128-R130 IonicContact OD2-NH2 2.87Å; D128-R130 PolarHBondContact OD2-NH2 3.1Å
129S98.6Very high98Very high42 Ų4258.4 Ų58.429%0.29432%0.317SS..EExtended strand (participates in β ladder)trans-147.5142.5171.6670000110.8R27 L28 S97R27-S129 WeakPolarHBondContact O-CA 3.41Å; L28-S129 VanDerWaalsContact CD2-CB 3.4Å; S97-S129 VanDerWaalsContact OG-CB 3.31Å; S97-S129 WeakPolarHBondContact OG-CB 3.25Å; S97-S129 PolarHBondContact OG-OG 3.42Å
130R98.5Very high98.1Very high112 Ų11257.4 Ų57.442%0.42331%0.311SS..EExtended strand (participates in β ladder)trans-141.5146.1175.463.4-172.676.7-169.82.7110.9V26 R27 D128 I132V26-R130 WeakPolarHBondContact CA-O 3.33Å; R27-R130 HydrophobicContact CB-CG 4.07Å; R27-R130 PolarHBondContact N-O 3.01Å; R27-R130 PolarHBondContact O-N 3.06Å; D128-R130 IonicContact OD2-CZ 3.85Å; D128-R130 IonicContact OD2-NE 3.98Å; D128-R130 IonicContact OD2-NH2 2.87Å; D128-R130 PolarHBondContact OD2-NH2 3.1Å; R130-I132 HydrophobicContact CG-CD1 3.8Å
131V98.7Very high98.1Very high42 Ų4255.4 Ų55.426%0.25529%0.291SS..EExtended strand (participates in β ladder)trans-106.2128.1179-176.60000109.2I24 V25 V26 A93 L133I24-V131 HydrophobicContact CG2-CG1 3.6Å; V25-V131 CarbonylContact O-C 3.59Å; V25-V131 WeakPolarHBondContact O-CA 3.4Å; V26-V131 HydrophobicContact CG2-CG2 4.36Å; A93-V131 HydrophobicContact CB-CB 4.24Å; A93-V131 HydrophobicContact CB-CG1 4.22Å; A93-V131 HydrophobicContact CB-CG2 4.17Å; V131-L133 HydrophobicContact CG1-CD2 4.38Å
132I98.6Very high98.1Very high46 Ų4656.9 Ų56.924%0.23630%0.3CS..EExtended strand (participates in β ladder)trans-124.4141.7176.6-51.691.6000109.1V25 R27 R130 Y134V25-I132 PolarHBondContact N-O 2.88Å; V25-I132 PolarHBondContact O-N 3.23Å; R27-I132 HydrophobicContact CB-CD1 4.39Å; R130-I132 HydrophobicContact CG-CD1 3.8Å; I132-Y134 HydrophobicContact CB-CE2 4.24Å; I132-Y134 HydrophobicContact CG2-CD2 4.46Å; I132-Y134 HydrophobicContact CG2-CE1 4.06Å; I132-Y134 HydrophobicContact CG2-CE2 3.81Å
133L98.6Very high98.2Very high63 Ų6352.3 Ų52.333%0.3328%0.275SS..EExtended strand (participates in β ladder)trans-108.1131.4177.5-53.2-175.4000110.6C18 L19 W23 I24 V131C18-L133 HydrophobicContact CB-CD1 3.97Å; C18-L133 HydrophobicContact CB-CD2 3.64Å; C18-L133 HydrophobicContact CB-CG 4.46Å; L19-L133 HydrophobicContact CB-CD1 3.96Å; W23-L133 WeakPolarHBondContact O-CA 3.48Å; I24-L133 HydrophobicContact CB-CD2 4.28Å; I24-L133 HydrophobicContact CG1-CD2 3.78Å; I24-L133 HydrophobicContact CG2-CD2 4.32Å; V131-L133 HydrophobicContact CG1-CD2 4.38Å
134Y98.4Very high98.2Very high44 Ų4448.6 Ų48.617%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-120122.2174-66-65.9000110.1W23 V25 I132 L140 Y143W23-Y134 WeakPolarHBondContact CB-O 3.22Å; W23-Y134 PolarHBondContact N-O 2.75Å; W23-Y134 PolarHBondContact O-N 2.79Å; W23-Y134 VanDerWaalsContact O-N 3.14Å; V25-Y134 HydrophobicContact CB-CD2 4.4Å; V25-Y134 HydrophobicContact CB-CE2 4.19Å; V25-Y134 HydrophobicContact CG2-CD2 3.66Å; V25-Y134 HydrophobicContact CG2-CE2 3.8Å; I132-Y134 HydrophobicContact CB-CE2 4.24Å; I132-Y134 HydrophobicContact CG2-CD2 4.46Å; I132-Y134 HydrophobicContact CG2-CE1 4.06Å; I132-Y134 HydrophobicContact CG2-CE2 3.81Å; Y134-L140 HydrophobicContact CD2-CD1 4.38Å; Y134-Y143 HydrophobicContact CE2-CD1 4.04Å; Y134-Y143 AromaticContact CE2-CD2 3.85Å; Y134-Y143 HydrophobicContact CE2-CD2 3.85Å; Y134-Y143 HydrophobicContact CE2-CE2 4.49Å; Y134-Y143 AromaticContact CE2-CG 3.55Å; Y134-Y143 HydrophobicContact CE2-CG 3.55Å; Y134-Y143 AromaticContact CZ-CD2 3.65Å; Y134-Y143 AromaticContact CZ-CG 3.68Å; Y134-Y143 WeakPolarHBondContact OH-CD2 3.26Å
135P97Very high98.2Very high76 Ų7644.5 Ų44.549%0.49424%0.235SC..SBendtrans-75.9-28-172.328.2-34.8000113.9T139P135-T139 WeakPolarHBondContact CD-OG1 3.36Å
136T97.2Very high98.3Very high51 Ų5150.2 Ų50.231%0.31326%0.255SS..SBendtrans-126.9160.9-173.668.50000112K138 T139 L140T136-K138 PolarHBondContact O-N 3.35Å; T136-T139 PolarHBondContact N-OG1 2.84Å; T136-T139 VanDerWaalsContact N-OG1 3.11Å; T136-T139 PolarHBondContact O-N 2.97Å; T136-T139 PolarHBondContact O-OG1 3.06Å; T136-T139 PolarHBondContact OG1-N 3.19Å; T136-T139 VanDerWaalsContact OG1-N 3.15Å; T136-T139 PolarHBondContact OG1-OG1 2.95Å; T136-T139 VanDerWaalsContact OG1-OG1 3.14Å; T136-L140 PolarHBondContact O-N 2.85Å; T136-L140 VanDerWaalsContact O-N 3.17Å
137N97.3Very high98.3Very high13 Ų1348.9 Ų48.97%0.0724%0.241CC..Hα-helixtrans-61.9-37.8175.2-61.3-11.1000110.5W23 K84 T139 L140 R141 L239 G240 E242W23-N137 WeakPolarHBondContact CZ2-OD1 3.45Å; W23-N137 PolarHBondContact NE1-OD1 3.06Å; K84-N137 WeakPolarHBondContact CE-OD1 3.1Å; K84-N137 PolarHBondContact NZ-OD1 2.74Å; N137-T139 PolarHBondContact O-N 2.8Å; N137-L140 PolarHBondContact O-N 3.12Å; N137-R141 WeakPolarHBondContact O-CG 3.33Å; N137-R141 PolarHBondContact O-N 3.45Å; N137-L239 HydrophobicContact CB-CB 4.39Å; N137-L239 HydrophobicContact CB-CD1 4.3Å; N137-L239 HydrophobicContact CB-CD2 4.22Å; N137-G240 PolarHBondContact ND2-O 3.13Å; N137-E242 HydrophobicContact CB-CG 4.42Å; N137-E242 WeakPolarHBondContact CB-OE1 3.19Å; N137-E242 VanDerWaalsContact CG-CD 3.46Å; N137-E242 PolarHBondContact N-OE1 3.12Å; N137-E242 PolarHBondContact N-OE2 3.08Å
138K97.2Very high98.3Very high130 Ų13048.5 Ų48.557%0.56524%0.24SC*.Hα-helixtrans-55.5-51.4173.8-173-175.2-176.3-59.30112T136 L140 R141 D142T136-K138 PolarHBondContact O-N 3.35Å; K138-L140 VanDerWaalsContact C-N 3.31Å; K138-L140 PolarHBondContact O-N 3.4Å; K138-R141 PolarHBondContact O-N 3.23Å; K138-D142 IonicContact NZ-OD1 3.7Å; K138-D142 IonicContact NZ-OD2 2.65Å; K138-D142 PolarHBondContact NZ-OD2 3.32Å; K138-D142 VanDerWaalsContact O-CG 3.26Å; K138-D142 PolarHBondContact O-N 3.42Å
139T98.1Very high98.3Very high44 Ų4449.8 Ų49.827%0.2725%0.249SC..Hα-helixtrans-65.2-33.6-177.950.80000113.2P135 T136 N137 Y143P135-T139 WeakPolarHBondContact CD-OG1 3.36Å; T136-T139 PolarHBondContact N-OG1 2.84Å; T136-T139 VanDerWaalsContact N-OG1 3.11Å; T136-T139 PolarHBondContact O-N 2.97Å; T136-T139 PolarHBondContact O-OG1 3.06Å; T136-T139 PolarHBondContact OG1-N 3.19Å; T136-T139 VanDerWaalsContact OG1-N 3.15Å; T136-T139 PolarHBondContact OG1-OG1 2.95Å; T136-T139 VanDerWaalsContact OG1-OG1 3.14Å; N137-T139 PolarHBondContact O-N 2.8Å; T139-Y143 PolarHBondContact O-N 2.94Å; T139-Y143 VanDerWaalsContact O-N 3.16Å
140L98.3Very high98.3Very high2 Ų249.8 Ų49.81%0.0125%0.246CC..Hα-helixtrans-66.5-46.2172.1172.966.2000111.7W23 V25 V81 Y134 T136 N137 K138 D142 Y143 L144 L239W23-L140 HydrophobicContact CD2-CD2 3.43Å; W23-L140 VanDerWaalsContact CD2-CD2 3.43Å; W23-L140 HydrophobicContact CD2-CG 4.45Å; W23-L140 HydrophobicContact CE3-CD2 3.73Å; W23-L140 HydrophobicContact CG-CB 4.06Å; W23-L140 HydrophobicContact CG-CD2 3.79Å; W23-L140 HydrophobicContact CG-CG 4.35Å; W23-L140 HydrophobicContact CH2-CD2 4.29Å; W23-L140 HydrophobicContact CZ2-CD2 3.98Å; W23-L140 HydrophobicContact CZ3-CD2 4.14Å; V25-L140 HydrophobicContact CG2-CD1 3.75Å; V81-L140 HydrophobicContact CG1-CD1 3.74Å; V81-L140 HydrophobicContact CG1-CD2 3.69Å; V81-L140 HydrophobicContact CG1-CG 4.37Å; V81-L140 HydrophobicContact CG2-CD1 3.95Å; Y134-L140 HydrophobicContact CD2-CD1 4.38Å; T136-L140 PolarHBondContact O-N 2.85Å; T136-L140 VanDerWaalsContact O-N 3.17Å; N137-L140 PolarHBondContact O-N 3.12Å; K138-L140 VanDerWaalsContact C-N 3.31Å; K138-L140 PolarHBondContact O-N 3.4Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-D142 PolarHBondContact O-N 2.95Å; L140-Y143 WeakPolarHBondContact O-CB 3.49Å; L140-Y143 PolarHBondContact O-N 3.23Å; L140-L144 HydrophobicContact CD1-CD1 4.2Å; L140-L144 HydrophobicContact CD1-CG 4.4Å; L140-L144 HydrophobicContact CG-CD1 4.17Å; L140-L144 PolarHBondContact O-N 2.85Å; L140-L239 HydrophobicContact CD2-CD2 3.89Å
141R98.4Very high98.3Very high52 Ų5244.8 Ų44.820%0.19623%0.228CC..Hα-helixtrans-60.5-45.1177.9-73.1-176.365.9-170.2-10.2111N137 K138 Y143 L144 S145 D229 W232 L239N137-R141 WeakPolarHBondContact O-CG 3.33Å; N137-R141 PolarHBondContact O-N 3.45Å; K138-R141 PolarHBondContact O-N 3.23Å; R141-Y143 VanDerWaalsContact C-N 3.28Å; R141-Y143 PolarHBondContact O-N 2.96Å; R141-L144 PolarHBondContact O-N 3.46Å; R141-S145 WeakPolarHBondContact O-CB 3.36Å; R141-S145 PolarHBondContact O-N 3.27Å; R141-S145 PolarHBondContact O-OG 3.33Å; R141-D229 IonicContact CZ-OD1 2.7Å; R141-D229 VanDerWaalsContact CZ-OD1 3.23Å; R141-D229 IonicContact NH1-OD1 3.31Å; R141-D229 PolarHBondContact NH1-OD1 2.81Å; R141-D229 IonicContact NH2-OD1 3.99Å; R141-D229 PolarHBondContact NH2-OD1 3.32Å; R141-W232 HydrophobicContact CG-CD2 4.09Å; R141-W232 HydrophobicContact CG-CE3 4.42Å; R141-W232 HydrophobicContact CG-CH2 4.23Å; R141-W232 HydrophobicContact CG-CZ2 3.89Å; R141-W232 HydrophobicContact CG-CZ3 4.48Å; R141-L239 HydrophobicContact CG-CD1 4.12Å; R141-L239 HydrophobicContact CG-CD2 4.35Å
142D98.7Very high98.2Very high79 Ų7946.4 Ų46.442%0.42223%0.233SC..Hα-helixtrans-59.5-39.3177.3-68.2-14.4000111.5K138 L140 W146K138-D142 IonicContact NZ-OD1 3.7Å; K138-D142 IonicContact NZ-OD2 2.65Å; K138-D142 PolarHBondContact NZ-OD2 3.32Å; K138-D142 VanDerWaalsContact O-CG 3.26Å; K138-D142 PolarHBondContact O-N 3.42Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-D142 PolarHBondContact O-N 2.95Å; D142-W146 WeakPolarHBondContact O-CB 3.37Å; D142-W146 PolarHBondContact O-N 3.49Å
143Y98.8Very high98.2Very high9 Ų947.8 Ų47.84%0.03524%0.243CC..Hα-helixtrans-62.1-47.8174.1167.6-98.2000112.6V25 R27 S79 Y134 T139 L140 R141 W146 R147V25-Y143 HydrophobicContact CG1-CD1 4.28Å; V25-Y143 HydrophobicContact CG1-CE1 3.55Å; V25-Y143 HydrophobicContact CG2-CD1 4.47Å; R27-Y143 WeakPolarHBondContact CD-OH 3.36Å; S79-Y143 PolarHBondContact OG-OH 3.43Å; Y134-Y143 HydrophobicContact CE2-CD1 4.04Å; Y134-Y143 AromaticContact CE2-CD2 3.85Å; Y134-Y143 HydrophobicContact CE2-CD2 3.85Å; Y134-Y143 HydrophobicContact CE2-CE2 4.49Å; Y134-Y143 AromaticContact CE2-CG 3.55Å; Y134-Y143 HydrophobicContact CE2-CG 3.55Å; Y134-Y143 AromaticContact CZ-CD2 3.65Å; Y134-Y143 AromaticContact CZ-CG 3.68Å; Y134-Y143 WeakPolarHBondContact OH-CD2 3.26Å; T139-Y143 PolarHBondContact O-N 2.94Å; T139-Y143 VanDerWaalsContact O-N 3.16Å; L140-Y143 WeakPolarHBondContact O-CB 3.49Å; L140-Y143 PolarHBondContact O-N 3.23Å; R141-Y143 VanDerWaalsContact C-N 3.28Å; R141-Y143 PolarHBondContact O-N 2.96Å; Y143-W146 AromaticContact CD2-CE3 3.75Å; Y143-W146 HydrophobicContact CD2-CE3 3.75Å; Y143-W146 AromaticContact CD2-CZ3 3.97Å; Y143-W146 HydrophobicContact CD2-CZ3 3.97Å; Y143-W146 AromaticContact CE2-CE3 3.96Å; Y143-W146 HydrophobicContact CE2-CE3 3.96Å; Y143-W146 AromaticContact CE2-CZ3 3.79Å; Y143-W146 HydrophobicContact CE2-CZ3 3.79Å; Y143-W146 WeakPolarHBondContact O-CB 3.32Å; Y143-W146 PolarHBondContact O-N 2.85Å; Y143-R147 HydrophobicContact CE1-CG 4.11Å; Y143-R147 HydrophobicContact CE2-CG 4.13Å; Y143-R147 PolarHBondContact O-N 2.85Å
144L98.8Very high98.2Very high1 Ų147.8 Ų47.81%0.00524%0.243CC..Hα-helixtrans-66.5-40.9-179.4-68.5169.7000111.2L70 V81 L140 R141 W146 R147 Q148 I226 W232L70-L144 HydrophobicContact CD1-CD1 4.39Å; L70-L144 HydrophobicContact CD2-CD1 3.84Å; L70-L144 HydrophobicContact CD2-CD2 3.79Å; L70-L144 HydrophobicContact CD2-CG 4.5Å; V81-L144 HydrophobicContact CG2-CD2 4.3Å; L140-L144 HydrophobicContact CD1-CD1 4.2Å; L140-L144 HydrophobicContact CD1-CG 4.4Å; L140-L144 HydrophobicContact CG-CD1 4.17Å; L140-L144 PolarHBondContact O-N 2.85Å; R141-L144 PolarHBondContact O-N 3.46Å; L144-W146 VanDerWaalsContact C-N 3.32Å; L144-W146 PolarHBondContact O-N 2.96Å; L144-R147 PolarHBondContact O-N 3.04Å; L144-Q148 PolarHBondContact O-N 2.7Å; L144-I226 HydrophobicContact CB-CD1 3.99Å; L144-W232 HydrophobicContact CD1-CH2 3.54Å; L144-W232 HydrophobicContact CD1-CZ2 4.05Å
145S98.7Very high98.1Very high19 Ų1946 Ų4613%0.13324%0.237CC..Hα-helixtrans-58.5-43.8171.6-64.90000111.6R141 R147 Q148 V149R141-S145 WeakPolarHBondContact O-CB 3.36Å; R141-S145 PolarHBondContact O-N 3.27Å; R141-S145 PolarHBondContact O-OG 3.33Å; S145-R147 PolarHBondContact O-N 3.12Å; S145-Q148 PolarHBondContact O-N 2.94Å; S145-V149 WeakPolarHBondContact O-CG2 3.45Å; S145-V149 PolarHBondContact O-N 2.92Å
146W98.8Very high98.2Very high128 Ų12842.5 Ų42.549%0.48521%0.214SC..Hα-helixtrans-58.7-45.1175.9167.953.1000112D142 Y143 L144 Q148 V149 D150D142-W146 WeakPolarHBondContact O-CB 3.37Å; D142-W146 PolarHBondContact O-N 3.49Å; Y143-W146 AromaticContact CD2-CE3 3.75Å; Y143-W146 HydrophobicContact CD2-CE3 3.75Å; Y143-W146 AromaticContact CD2-CZ3 3.97Å; Y143-W146 HydrophobicContact CD2-CZ3 3.97Å; Y143-W146 AromaticContact CE2-CE3 3.96Å; Y143-W146 HydrophobicContact CE2-CE3 3.96Å; Y143-W146 AromaticContact CE2-CZ3 3.79Å; Y143-W146 HydrophobicContact CE2-CZ3 3.79Å; Y143-W146 WeakPolarHBondContact O-CB 3.32Å; Y143-W146 PolarHBondContact O-N 2.85Å; L144-W146 VanDerWaalsContact C-N 3.32Å; L144-W146 PolarHBondContact O-N 2.96Å; W146-Q148 VanDerWaalsContact C-N 3.34Å; W146-Q148 PolarHBondContact O-N 3.02Å; W146-V149 PolarHBondContact O-N 2.97Å; W146-D150 WeakPolarHBondContact O-CB 3.32Å; W146-D150 PolarHBondContact O-N 2.75Å
147R98.7Very high98.3Very high12 Ų1243.4 Ų43.45%0.04521%0.212CC..Hα-helixtrans-64.6-36.9176.7-59.2-43.2-58.1141.52.3112.4Y72 E77 Y143 L144 S145 D150 C151Y72-R147 HydrophobicContact CD1-CB 3.72Å; Y72-R147 HydrophobicContact CE1-CB 3.63Å; E77-R147 IonicContact OE1-CZ 3.06Å; E77-R147 IonicContact OE1-NE 3.17Å; E77-R147 PolarHBondContact OE1-NE 2.85Å; E77-R147 IonicContact OE1-NH2 3.88Å; E77-R147 PolarHBondContact OE1-NH2 3.04Å; E77-R147 IonicContact OE2-CZ 3.94Å; E77-R147 IonicContact OE2-NE 3.32Å; E77-R147 PolarHBondContact OE2-NE 2.63Å; E77-R147 IonicContact OE2-NH2 2.94Å; E77-R147 PolarHBondContact OE2-NH2 3.49Å; Y143-R147 HydrophobicContact CE1-CG 4.11Å; Y143-R147 HydrophobicContact CE2-CG 4.13Å; Y143-R147 PolarHBondContact O-N 2.85Å; L144-R147 PolarHBondContact O-N 3.04Å; S145-R147 PolarHBondContact O-N 3.12Å; R147-D150 IonicContact CZ-OD2 3.98Å; R147-D150 VanDerWaalsContact CZ-OD2 3.29Å; R147-D150 IonicContact NH1-OD2 3.14Å; R147-D150 PolarHBondContact NH1-OD2 2.69Å; R147-D150 VanDerWaalsContact NH1-OD2 3.14Å; R147-D150 IonicContact NH2-OD2 3.93Å; R147-D150 PolarHBondContact NH2-OD2 3.03Å; R147-D150 WeakPolarHBondContact O-CB 3.41Å; R147-D150 PolarHBondContact O-N 2.97Å; R147-C151 PolarHBondContact O-N 2.94Å
148Q98.7Very high98.3Very high6 Ų645.5 Ų45.53%0.02822%0.223CC..Hα-helixtrans-74-34.8178.1-172166.363.300113.4Y72 L144 S145 W146 D150 C151 H152 K208 I224 I226 I227Y72-Q148 HydrophobicContact CE1-CB 4.47Å; Y72-Q148 HydrophobicContact CE2-CB 4.43Å; Y72-Q148 WeakPolarHBondContact OH-CA 3.47Å; L144-Q148 PolarHBondContact O-N 2.7Å; S145-Q148 PolarHBondContact O-N 2.94Å; W146-Q148 VanDerWaalsContact C-N 3.34Å; W146-Q148 PolarHBondContact O-N 3.02Å; Q148-D150 VanDerWaalsContact C-N 3.34Å; Q148-C151 WeakPolarHBondContact O-CB 3.33Å; Q148-C151 PolarHBondContact O-N 2.78Å; Q148-H152 PolarHBondContact O-N 2.66Å; Q148-K208 PolarHBondContact NE2-O 3.34Å; Q148-I224 PolarHBondContact NE2-O 3.38Å; Q148-I226 HydrophobicContact CB-CG1 4.43Å; Q148-I227 HydrophobicContact CB-CD1 4.21Å; Q148-I227 HydrophobicContact CB-CG1 4.25Å; Q148-I227 HydrophobicContact CG-CD1 4.13Å; Q148-I227 HydrophobicContact CG-CG1 4.45Å
149V98.4Very high98.4Very high74 Ų7439.4 Ų39.445%0.44820%0.197SC..Hα-helixtrans-63.3-43.1170.2171.10000110.5S145 W146 C151 H152 V153 I227S145-V149 WeakPolarHBondContact O-CG2 3.45Å; S145-V149 PolarHBondContact O-N 2.92Å; W146-V149 PolarHBondContact O-N 2.97Å; V149-C151 VanDerWaalsContact C-N 3.34Å; V149-C151 PolarHBondContact O-N 3.44Å; V149-H152 PolarHBondContact O-N 2.87Å; V149-V153 HydrophobicContact CG1-CG2 4.31Å; V149-V153 WeakPolarHBondContact O-CG2 3.19Å; V149-V153 PolarHBondContact O-N 3.44Å; V149-I227 HydrophobicContact CG2-CD1 3.77Å
150D98.4Very high98.4Very high43 Ų4337.3 Ų37.323%0.2318%0.184CC..Hα-helixtrans-59.1-44.5175.5-170.957.8000111.6W146 R147 Q148 H152 V153 N154W146-D150 WeakPolarHBondContact O-CB 3.32Å; W146-D150 PolarHBondContact O-N 2.75Å; R147-D150 IonicContact CZ-OD2 3.98Å; R147-D150 VanDerWaalsContact CZ-OD2 3.29Å; R147-D150 IonicContact NH1-OD2 3.14Å; R147-D150 PolarHBondContact NH1-OD2 2.69Å; R147-D150 VanDerWaalsContact NH1-OD2 3.14Å; R147-D150 IonicContact NH2-OD2 3.93Å; R147-D150 PolarHBondContact NH2-OD2 3.03Å; R147-D150 WeakPolarHBondContact O-CB 3.41Å; R147-D150 PolarHBondContact O-N 2.97Å; Q148-D150 VanDerWaalsContact C-N 3.34Å; D150-H152 PolarHBondContact O-N 3.44Å; D150-V153 PolarHBondContact O-N 2.96Å; D150-N154 VanDerWaalsContact CG-ND2 3.29Å; D150-N154 WeakPolarHBondContact O-CB 3.46Å; D150-N154 VanDerWaalsContact O-CG 3.31Å; D150-N154 PolarHBondContact O-N 3.07Å; D150-N154 PolarHBondContact O-ND2 3.49Å; D150-N154 VanDerWaalsContact O-ND2 3.1Å; D150-N154 PolarHBondContact OD1-ND2 2.96Å; D150-N154 VanDerWaalsContact OD1-ND2 3.11Å; D150-N154 PolarHBondContact OD2-ND2 3.44Å
151C98.4Very high98.4Very high7 Ų738.3 Ų38.35%0.04719%0.188CC..Hα-helixtrans-54.8-50172.3176.90000111.9Y72 Q74 R147 Q148 V149 V153 N155 G209Y72-C151 WeakPolarHBondContact OH-CB 3.43Å; Q74-C151 HydrophobicContact CB-CB 3.82Å; Q74-C151 HydrophobicContact CG-CB 3.93Å; R147-C151 PolarHBondContact O-N 2.94Å; Q148-C151 WeakPolarHBondContact O-CB 3.33Å; Q148-C151 PolarHBondContact O-N 2.78Å; V149-C151 VanDerWaalsContact C-N 3.34Å; V149-C151 PolarHBondContact O-N 3.44Å; C151-V153 PolarHBondContact O-N 3.41Å; C151-N155 WeakPolarHBondContact O-CB 3.25Å; C151-N155 PolarHBondContact O-N 3.19Å; C151-G209 PolarHBondContact SG-N 3.28Å
152H97.7Very high98.4Very high76 Ų7638.9 Ų38.935%0.35219%0.191SC..Hα-helixtrans-61.9-46.4-179.1178.980.3000112.6Q148 V149 D150 L156 Y199Q148-H152 PolarHBondContact O-N 2.66Å; V149-H152 PolarHBondContact O-N 2.87Å; D150-H152 PolarHBondContact O-N 3.44Å; H152-L156 WeakPolarHBondContact O-CB 3.43Å; H152-L156 PolarHBondContact O-N 3.39Å; H152-Y199 AromaticContact CE1-CE1 3.65Å; H152-Y199 AromaticContact ND1-CE1 3.98Å; H152-Y199 PolarHBondContact O-OH 3.28Å
153V97.6Very high98.3Very high75 Ų7538 Ų3846%0.45518%0.183SC..Hα-helixtrans-63.5-48.8-179.4170.90000110.7V149 D150 C151 Y157V149-V153 HydrophobicContact CG1-CG2 4.31Å; V149-V153 WeakPolarHBondContact O-CG2 3.19Å; V149-V153 PolarHBondContact O-N 3.44Å; D150-V153 PolarHBondContact O-N 2.96Å; C151-V153 PolarHBondContact O-N 3.41Å; V153-Y157 WeakPolarHBondContact O-CB 3.45Å; V153-Y157 PolarHBondContact O-N 2.94Å
154N97.8Very high98.3Very high62 Ų6237.7 Ų37.733%0.33218%0.182SC..Hα-helixtrans-66.6-42.6-179-70.7-34.6000111.6D150 Y157 N158D150-N154 VanDerWaalsContact CG-ND2 3.29Å; D150-N154 WeakPolarHBondContact O-CB 3.46Å; D150-N154 VanDerWaalsContact O-CG 3.31Å; D150-N154 PolarHBondContact O-N 3.07Å; D150-N154 PolarHBondContact O-ND2 3.49Å; D150-N154 VanDerWaalsContact O-ND2 3.1Å; D150-N154 PolarHBondContact OD1-ND2 2.96Å; D150-N154 VanDerWaalsContact OD1-ND2 3.11Å; D150-N154 PolarHBondContact OD2-ND2 3.44Å; N154-Y157 PolarHBondContact O-N 3.16Å; N154-N158 VanDerWaalsContact O-CB 3.25Å; N154-N158 WeakPolarHBondContact O-CB 3.46Å; N154-N158 PolarHBondContact O-N 3.39Å; N154-N158 PolarHBondContact O-ND2 2.85Å
155N98.4Very high98.3Very high7 Ų739.3 Ų39.34%0.03719%0.192CC..Hα-helixtrans-64.3-45.6178.7-173.262.2000111.7N46 C151 Y157 N158 T159 Y199 F206N46-N155 PolarHBondContact ND2-OD1 3.43Å; N46-N155 PolarHBondContact OD1-OD1 3.47Å; C151-N155 WeakPolarHBondContact O-CB 3.25Å; C151-N155 PolarHBondContact O-N 3.19Å; N155-Y157 VanDerWaalsContact C-N 3.35Å; N155-Y157 PolarHBondContact O-N 2.87Å; N155-N158 PolarHBondContact O-N 3.18Å; N155-T159 WeakPolarHBondContact O-CB 3.29Å; N155-T159 PolarHBondContact O-N 2.88Å; N155-T159 PolarHBondContact O-OG1 3.47Å; N155-Y199 VanDerWaalsContact ND2-CE2 3.27Å; N155-Y199 WeakPolarHBondContact ND2-CE2 3.37Å; N155-Y199 PolarHBondContact ND2-OH 3.4Å; N155-F206 WeakPolarHBondContact CB-O 3.38Å; N155-F206 PolarHBondContact ND2-O 3.04Å
156L98.3Very high98.2Very high2 Ų243.6 Ų43.61%0.0121%0.21CC..Hα-helixtrans-60.6-44.8177.617960.8000111.7H152 C160 K187 L191 Y199H152-L156 WeakPolarHBondContact O-CB 3.43Å; H152-L156 PolarHBondContact O-N 3.39Å; L156-C160 PolarHBondContact O-N 3.25Å; L156-C160 PolarHBondContact O-SG 2.81Å; L156-K187 HydrophobicContact CD1-CB 4.09Å; L156-K187 HydrophobicContact CD2-CB 4.06Å; L156-K187 HydrophobicContact CD2-CD 4.26Å; L156-K187 HydrophobicContact CG-CB 3.94Å; L156-K187 HydrophobicContact CG-CD 4.01Å; L156-L191 HydrophobicContact CD1-CD1 3.91Å; L156-Y199 HydrophobicContact CB-CE1 4.26Å; L156-Y199 HydrophobicContact CB-CE2 4.09Å; L156-Y199 HydrophobicContact CD1-CD1 3.97Å; L156-Y199 HydrophobicContact CD1-CD2 3.77Å; L156-Y199 HydrophobicContact CD1-CE1 4.13Å; L156-Y199 HydrophobicContact CD1-CE2 3.94Å; L156-Y199 HydrophobicContact CD1-CG 3.77Å; L156-Y199 PolarHBondContact N-OH 2.85Å
157Y98.5Very high98.1Very high70 Ų7042 Ų4228%0.27521%0.211SC..Hα-helixtrans-60.5-51.4175.7-178.9-86.9000111.4V153 N154 N155 T159 C160 F161 L179V153-Y157 WeakPolarHBondContact O-CB 3.45Å; V153-Y157 PolarHBondContact O-N 2.94Å; N154-Y157 PolarHBondContact O-N 3.16Å; N155-Y157 VanDerWaalsContact C-N 3.35Å; N155-Y157 PolarHBondContact O-N 2.87Å; Y157-T159 PolarHBondContact O-N 2.85Å; Y157-C160 PolarHBondContact O-N 3.26Å; Y157-F161 HydrophobicContact CD1-CB 4.46Å; Y157-F161 HydrophobicContact CE1-CB 4.21Å; Y157-F161 HydrophobicContact CE1-CD2 4.34Å; Y157-F161 HydrophobicContact CE1-CG 4.45Å; Y157-F161 WeakPolarHBondContact O-CB 3.4Å; Y157-F161 PolarHBondContact O-N 3.5Å; Y157-L179 HydrophobicContact CD2-CD1 4.28Å; Y157-L179 HydrophobicContact CE2-CB 3.83Å; Y157-L179 HydrophobicContact CE2-CD1 3.95Å
158N98Very high98Very high57 Ų5743.9 Ų43.931%0.30523%0.229SC..Hα-helixtrans-63.9-39.2-176.9-73.3-26.7000112.2P45 N154 N155 F161 W162P45-N158 HydrophobicContact CB-CB 3.89Å; N154-N158 VanDerWaalsContact O-CB 3.25Å; N154-N158 WeakPolarHBondContact O-CB 3.46Å; N154-N158 PolarHBondContact O-N 3.39Å; N154-N158 PolarHBondContact O-ND2 2.85Å; N155-N158 PolarHBondContact O-N 3.18Å; N158-F161 PolarHBondContact O-N 3.37Å; N158-W162 WeakPolarHBondContact O-CB 3.46Å; N158-W162 VanDerWaalsContact O-CD1 3.28Å; N158-W162 PolarHBondContact O-N 3.38Å
159T98.3Very high97.9Very high3 Ų346.6 Ų46.62%0.01826%0.258CS..Hα-helixtrans-61.7-45.4175.4-590000111.1N155 Y157 K163 L191N155-T159 WeakPolarHBondContact O-CB 3.29Å; N155-T159 PolarHBondContact O-N 2.88Å; N155-T159 PolarHBondContact O-OG1 3.47Å; Y157-T159 PolarHBondContact O-N 2.85Å; T159-K163 WeakPolarHBondContact O-CB 3.4Å; T159-K163 WeakPolarHBondContact O-CG 3.41Å; T159-K163 PolarHBondContact O-N 2.99Å; T159-L191 HydrophobicContact CG2-CD1 4.11Å; T159-L191 HydrophobicContact CG2-CD2 3.9Å
160C98.2Very high97.8Very high0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-61.8-48.4174.7-62.30000111.6L156 Y157 W162 K163 L164 L179 K187 L190 L191L156-C160 PolarHBondContact O-N 3.25Å; L156-C160 PolarHBondContact O-SG 2.81Å; Y157-C160 PolarHBondContact O-N 3.26Å; C160-W162 PolarHBondContact O-N 2.94Å; C160-K163 PolarHBondContact O-N 2.76Å; C160-L164 WeakPolarHBondContact O-CG 3.4Å; C160-L164 PolarHBondContact O-N 2.83Å; C160-L179 HydrophobicContact CB-CD1 3.94Å; C160-L179 HydrophobicContact CB-CD2 3.8Å; C160-K187 VanDerWaalsContact SG-CB 3.56Å; C160-K187 PolarHBondContact SG-O 2.86Å; C160-L190 HydrophobicContact CB-CD2 4.15Å; C160-L191 VanDerWaalsContact SG-CG 3.53Å
161F98.5Very high97.8Very high22 Ų2245.7 Ų45.710%0.09626%0.255CS..Hα-helixtrans-57.8-51.5-177.1178.7-90.9000111.2Y157 N158 K163 L164 V165 G172 A175 E176 L179Y157-F161 HydrophobicContact CD1-CB 4.46Å; Y157-F161 HydrophobicContact CE1-CB 4.21Å; Y157-F161 HydrophobicContact CE1-CD2 4.34Å; Y157-F161 HydrophobicContact CE1-CG 4.45Å; Y157-F161 WeakPolarHBondContact O-CB 3.4Å; Y157-F161 PolarHBondContact O-N 3.5Å; N158-F161 PolarHBondContact O-N 3.37Å; F161-K163 PolarHBondContact O-N 3.16Å; F161-L164 WeakPolarHBondContact O-CB 3.46Å; F161-L164 PolarHBondContact O-N 3.12Å; F161-V165 HydrophobicContact CD1-CG2 4.33Å; F161-V165 HydrophobicContact CE1-CG2 3.94Å; F161-V165 HydrophobicContact CZ-CG2 4.08Å; F161-V165 WeakPolarHBondContact O-CG2 3.49Å; F161-V165 PolarHBondContact O-N 3.36Å; F161-G172 WeakPolarHBondContact CE2-O 3.39Å; F161-A175 HydrophobicContact CD2-CB 3.73Å; F161-A175 HydrophobicContact CE2-CB 3.7Å; F161-A175 HydrophobicContact CG-CB 4.49Å; F161-A175 HydrophobicContact CZ-CB 4.45Å; F161-E176 HydrophobicContact CD2-CG 4.41Å; F161-E176 HydrophobicContact CE2-CB 4.5Å; F161-E176 HydrophobicContact CE2-CG 3.86Å; F161-L179 HydrophobicContact CB-CD1 3.83Å; F161-L179 HydrophobicContact CD2-CD1 4.39Å
162W98Very high97.7Very high64 Ų6446.9 Ų46.924%0.24227%0.268CS..Hα-helixtrans-72.5-29.5-177.9-75.8107.7000113.2K44 P45 N158 C160 V165 Q166K44-W162 HydrophobicContact CB-CB 4.48Å; K44-W162 HydrophobicContact CB-CD2 3.46Å; K44-W162 VanDerWaalsContact CB-CD2 3.46Å; K44-W162 HydrophobicContact CB-CE3 3.91Å; K44-W162 HydrophobicContact CB-CG 3.72Å; K44-W162 HydrophobicContact CB-CH2 4.45Å; K44-W162 HydrophobicContact CB-CZ2 4.07Å; K44-W162 HydrophobicContact CB-CZ3 4.38Å; K44-W162 HydrophobicContact CD-CZ2 3.84Å; K44-W162 HydrophobicContact CG-CD2 4.04Å; K44-W162 HydrophobicContact CG-CE3 4.37Å; K44-W162 HydrophobicContact CG-CH2 4.02Å; K44-W162 HydrophobicContact CG-CZ2 3.67Å; K44-W162 HydrophobicContact CG-CZ3 4.36Å; P45-W162 HydrophobicContact CB-CB 4.41Å; P45-W162 HydrophobicContact CB-CG 4.39Å; N158-W162 WeakPolarHBondContact O-CB 3.46Å; N158-W162 VanDerWaalsContact O-CD1 3.28Å; N158-W162 PolarHBondContact O-N 3.38Å; C160-W162 PolarHBondContact O-N 2.94Å; W162-V165 HydrophobicContact CE3-CB 4.19Å; W162-V165 HydrophobicContact CE3-CG1 4.16Å; W162-V165 HydrophobicContact CZ3-CG1 4.06Å; W162-V165 PolarHBondContact O-N 3.2Å; W162-Q166 HydrophobicContact CE3-CG 4.15Å; W162-Q166 VanDerWaalsContact O-CB 3.22Å; W162-Q166 WeakPolarHBondContact O-CB 3.43Å; W162-Q166 VanDerWaalsContact O-CG 3.29Å; W162-Q166 WeakPolarHBondContact O-CG 3.31Å; W162-Q166 PolarHBondContact O-N 2.88Å
163K97.8Very high97.7Very high61 Ų6148.1 Ų48.127%0.26528%0.281SS..Hα-helixtrans-63.6-42.8168.8-74-68-170.6-177.70111.7T159 C160 F161 V165 N167 A168 L191 F195T159-K163 WeakPolarHBondContact O-CB 3.4Å; T159-K163 WeakPolarHBondContact O-CG 3.41Å; T159-K163 PolarHBondContact O-N 2.99Å; C160-K163 PolarHBondContact O-N 2.76Å; F161-K163 PolarHBondContact O-N 3.16Å; K163-V165 VanDerWaalsContact C-N 3.34Å; K163-V165 PolarHBondContact O-N 2.85Å; K163-N167 WeakPolarHBondContact CD-OD1 3.36Å; K163-N167 WeakPolarHBondContact O-CA 3.34Å; K163-N167 VanDerWaalsContact O-CB 3.23Å; K163-N167 WeakPolarHBondContact O-CB 3.19Å; K163-N167 PolarHBondContact O-N 3.48Å; K163-A168 PolarHBondContact O-N 2.88Å; K163-L191 HydrophobicContact CB-CD2 4.39Å; K163-L191 HydrophobicContact CG-CD2 3.95Å; K163-F195 HydrophobicContact CB-CD1 4.28Å; K163-F195 HydrophobicContact CB-CD2 3.58Å; K163-F195 HydrophobicContact CB-CE1 4.27Å; K163-F195 HydrophobicContact CB-CE2 3.56Å; K163-F195 HydrophobicContact CB-CG 3.95Å; K163-F195 HydrophobicContact CB-CZ 3.93Å; K163-F195 HydrophobicContact CD-CB 4.37Å; K163-F195 HydrophobicContact CD-CG 4.32Å; K163-F195 HydrophobicContact CG-CD2 4.17Å; K163-F195 HydrophobicContact CG-CG 4.32Å
164L98.3Very high97.8Very high3 Ų349.6 Ų49.62%0.01628%0.283CS..Hα-helixtrans-60.8-44.4175.4-72.2164.5000111.4C160 F161 A168 G169 L170 A175 R178 L179 L190 F195C160-L164 WeakPolarHBondContact O-CG 3.4Å; C160-L164 PolarHBondContact O-N 2.83Å; F161-L164 WeakPolarHBondContact O-CB 3.46Å; F161-L164 PolarHBondContact O-N 3.12Å; L164-A168 CarbonylContact O-C 3.47Å; L164-A168 WeakPolarHBondContact O-CA 3.13Å; L164-A168 WeakPolarHBondContact O-CB 3.45Å; L164-A168 PolarHBondContact O-N 3.32Å; L164-G169 PolarHBondContact O-N 3.04Å; L164-L170 HydrophobicContact CB-CD2 4.36Å; L164-L170 HydrophobicContact CD2-CD2 4.2Å; L164-L170 PolarHBondContact O-N 3.22Å; L164-L170 VanDerWaalsContact O-N 3.17Å; L164-A175 HydrophobicContact CB-CB 3.88Å; L164-A175 HydrophobicContact CD1-CB 4.28Å; L164-R178 HydrophobicContact CD1-CB 4.37Å; L164-R178 HydrophobicContact CD1-CG 4.21Å; L164-R178 HydrophobicContact CD2-CG 4.47Å; L164-L179 HydrophobicContact CD1-CD1 4.1Å; L164-L179 HydrophobicContact CD1-CD2 3.92Å; L164-L179 HydrophobicContact CD1-CG 3.82Å; L164-L190 HydrophobicContact CD1-CD1 4.37Å; L164-L190 HydrophobicContact CD2-CD1 4.47Å; L164-L190 HydrophobicContact CG-CD2 4.47Å; L164-F195 HydrophobicContact CD2-CE2 4.21Å; L164-F195 HydrophobicContact CD2-CZ 3.93Å; L164-F195 HydrophobicContact CG-CE2 4.29Å; L164-F195 HydrophobicContact CG-CZ 4.23Å
165V98.1Very high97.8Very high34 Ų3446.7 Ų46.721%0.20627%0.267CS..Hα-helixtrans-69.3-50-179.9174.30000112.1F161 W162 K163 G169 L170 A175F161-V165 HydrophobicContact CD1-CG2 4.33Å; F161-V165 HydrophobicContact CE1-CG2 3.94Å; F161-V165 HydrophobicContact CZ-CG2 4.08Å; F161-V165 WeakPolarHBondContact O-CG2 3.49Å; F161-V165 PolarHBondContact O-N 3.36Å; W162-V165 HydrophobicContact CE3-CB 4.19Å; W162-V165 HydrophobicContact CE3-CG1 4.16Å; W162-V165 HydrophobicContact CZ3-CG1 4.06Å; W162-V165 PolarHBondContact O-N 3.2Å; K163-V165 VanDerWaalsContact C-N 3.34Å; K163-V165 PolarHBondContact O-N 2.85Å; V165-G169 WeakPolarHBondContact O-CA 3.19Å; V165-G169 PolarHBondContact O-N 3.49Å; V165-L170 WeakPolarHBondContact CA-O 3.47Å; V165-A175 HydrophobicContact CG2-CB 3.81Å
166Q97.1Very high97.7Very high110 Ų11051 Ų5151%0.51429%0.287SS..Hα-helixtrans-84.5-35.4-170.7-64.2171.9-6.600113.5K44 W162K44-Q166 PolarHBondContact O-NE2 2.77Å; W162-Q166 HydrophobicContact CE3-CG 4.15Å; W162-Q166 VanDerWaalsContact O-CB 3.22Å; W162-Q166 WeakPolarHBondContact O-CB 3.43Å; W162-Q166 VanDerWaalsContact O-CG 3.29Å; W162-Q166 WeakPolarHBondContact O-CG 3.31Å; W162-Q166 PolarHBondContact O-N 2.88Å
167N96.8Very high97.7Very high95 Ų9555.7 Ų55.751%0.50831%0.309SS..Hα-helixtrans-102.2-33.5-174-61.389.4000113K163 F195K163-N167 WeakPolarHBondContact CD-OD1 3.36Å; K163-N167 WeakPolarHBondContact O-CA 3.34Å; K163-N167 VanDerWaalsContact O-CB 3.23Å; K163-N167 WeakPolarHBondContact O-CB 3.19Å; K163-N167 PolarHBondContact O-N 3.48Å; N167-F195 HydrophobicContact CB-CD1 3.89Å; N167-F195 HydrophobicContact CB-CE1 3.78Å
168A96.2Very high97.6Very high50 Ų5059.2 Ų59.241%0.41332%0.322SS..SBendtrans-97.7-6176.500000113.4K163 L164 L170 F195K163-A168 PolarHBondContact O-N 2.88Å; L164-A168 CarbonylContact O-C 3.47Å; L164-A168 WeakPolarHBondContact O-CA 3.13Å; L164-A168 WeakPolarHBondContact O-CB 3.45Å; L164-A168 PolarHBondContact O-N 3.32Å; A168-L170 VanDerWaalsContact C-N 3.27Å; A168-L170 HydrophobicContact CB-CD1 3.62Å; A168-L170 WeakPolarHBondContact O-CD1 3.13Å; A168-L170 PolarHBondContact O-N 3.27Å; A168-F195 HydrophobicContact CB-CE1 4.08Å; A168-F195 HydrophobicContact CB-CZ 4.14Å
169G96.7Very high97.6Very high63 Ų6356.6 Ų56.665%0.64931%0.308SS*.  trans72.417.3175.200000114.4L164 V165L164-G169 PolarHBondContact O-N 3.04Å; V165-G169 WeakPolarHBondContact O-CA 3.19Å; V165-G169 PolarHBondContact O-N 3.49Å
170L97.6Very high97.6Very high46 Ų4664.1 Ų64.124%0.24134%0.336CS..  trans-70.1147.5176.3-84.267.2000110.3L164 V165 A168 E174 A175L164-L170 HydrophobicContact CB-CD2 4.36Å; L164-L170 HydrophobicContact CD2-CD2 4.2Å; L164-L170 PolarHBondContact O-N 3.22Å; L164-L170 VanDerWaalsContact O-N 3.17Å; V165-L170 WeakPolarHBondContact CA-O 3.47Å; A168-L170 VanDerWaalsContact C-N 3.27Å; A168-L170 HydrophobicContact CB-CD1 3.62Å; A168-L170 WeakPolarHBondContact O-CD1 3.13Å; A168-L170 PolarHBondContact O-N 3.27Å; L170-E174 HydrophobicContact CB-CB 4.06Å; L170-E174 HydrophobicContact CD2-CB 4.03Å; L170-E174 HydrophobicContact CG-CB 4.05Å; L170-A175 HydrophobicContact CB-CB 4.45Å
171S97.7Very high97.5Very high53 Ų5367.8 Ų67.837%0.37137%0.374SS..  trans-66.1160.9163.766.60000111T173 E174 A175S171-T173 PolarHBondContact O-N 3.06Å; S171-E174 VanDerWaalsContact CB-OE2 3.28Å; S171-E174 WeakPolarHBondContact CB-OE2 3.24Å; S171-E174 PolarHBondContact N-OE2 2.7Å; S171-E174 PolarHBondContact O-N 2.71Å; S171-E174 VanDerWaalsContact OG-CD 3.26Å; S171-E174 VanDerWaalsContact OG-CG 3.24Å; S171-E174 WeakPolarHBondContact OG-CG 3.46Å; S171-E174 PolarHBondContact OG-N 3.2Å; S171-E174 PolarHBondContact OG-OE2 3.31Å; S171-A175 PolarHBondContact O-N 3.45Å
172G96.7Very high97.4Very high31 Ų3168.5 Ų68.532%0.3238%0.38SS..Hα-helixtrans-56.2-40.1176.100000112.6F161 A175 E176F161-G172 WeakPolarHBondContact CE2-O 3.39Å; G172-A175 PolarHBondContact O-N 2.97Å; G172-E176 WeakPolarHBondContact O-CB 3.43Å; G172-E176 PolarHBondContact O-N 3.16Å
173T97.8Very high97.4Very high103 Ų10371 Ų7163%0.63240%0.397SS*.Hα-helixtrans-66.1-41.7177.9-530000112.4S171 E176 E177S171-T173 PolarHBondContact O-N 3.06Å; T173-E176 PolarHBondContact O-N 2.92Å; T173-E177 WeakPolarHBondContact O-CB 3.47Å; T173-E177 PolarHBondContact O-N 2.94Å
174E98.2Very high97.3Very high106 Ų10671 Ų7150%0.49541%0.405SS..Hα-helixtrans-66.7-39.9177-71.4164134.600111.6L170 S171 E177 R178L170-E174 HydrophobicContact CB-CB 4.06Å; L170-E174 HydrophobicContact CD2-CB 4.03Å; L170-E174 HydrophobicContact CG-CB 4.05Å; S171-E174 VanDerWaalsContact CB-OE2 3.28Å; S171-E174 WeakPolarHBondContact CB-OE2 3.24Å; S171-E174 PolarHBondContact N-OE2 2.7Å; S171-E174 PolarHBondContact O-N 2.71Å; S171-E174 VanDerWaalsContact OG-CD 3.26Å; S171-E174 VanDerWaalsContact OG-CG 3.24Å; S171-E174 WeakPolarHBondContact OG-CG 3.46Å; S171-E174 PolarHBondContact OG-N 3.2Å; S171-E174 PolarHBondContact OG-OE2 3.31Å; E174-E177 PolarHBondContact O-N 2.93Å; E174-R178 VanDerWaalsContact O-CB 3.27Å; E174-R178 WeakPolarHBondContact O-CB 3.27Å; E174-R178 PolarHBondContact O-N 2.8Å
175A98.1Very high97.3Very high0 Ų074.3 Ų74.30%043%0.429CS..Hα-helixtrans-64.8-42.1176.100000111.9F161 L164 V165 L170 S171 G172 R178 L179F161-A175 HydrophobicContact CD2-CB 3.73Å; F161-A175 HydrophobicContact CE2-CB 3.7Å; F161-A175 HydrophobicContact CG-CB 4.49Å; F161-A175 HydrophobicContact CZ-CB 4.45Å; L164-A175 HydrophobicContact CB-CB 3.88Å; L164-A175 HydrophobicContact CD1-CB 4.28Å; V165-A175 HydrophobicContact CG2-CB 3.81Å; L170-A175 HydrophobicContact CB-CB 4.45Å; S171-A175 PolarHBondContact O-N 3.45Å; G172-A175 PolarHBondContact O-N 2.97Å; A175-R178 PolarHBondContact O-N 2.78Å; A175-L179 WeakPolarHBondContact O-CG 3.35Å; A175-L179 PolarHBondContact O-N 3.23Å; A175-L179 VanDerWaalsContact O-N 3.07Å
176E97.4Very high97.3Very high97 Ų9775.8 Ų75.845%0.45344%0.435SS..Hα-helixtrans-60.4-47.9173.3-97.2166.7-150.100112.3F161 G172 T173 R178 L179 R180F161-E176 HydrophobicContact CD2-CG 4.41Å; F161-E176 HydrophobicContact CE2-CB 4.5Å; F161-E176 HydrophobicContact CE2-CG 3.86Å; G172-E176 WeakPolarHBondContact O-CB 3.43Å; G172-E176 PolarHBondContact O-N 3.16Å; T173-E176 PolarHBondContact O-N 2.92Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.14Å; E176-L179 PolarHBondContact O-N 3.26Å; E176-R180 PolarHBondContact O-N 2.82Å
177E97.9Very high97.3Very high102 Ų10271.6 Ų71.648%0.47742%0.416SS..Hα-helixtrans-61.4-41.8177.2-168.664.7-132.800110.8T173 E174 L179 R180T173-E177 WeakPolarHBondContact O-CB 3.47Å; T173-E177 PolarHBondContact O-N 2.94Å; E174-E177 PolarHBondContact O-N 2.93Å; E177-L179 VanDerWaalsContact C-N 3.28Å; E177-L179 PolarHBondContact O-N 3.29Å; E177-R180 WeakPolarHBondContact O-CB 3.5Å; E177-R180 PolarHBondContact O-N 3.29Å; E177-R180 IonicContact OE1-CZ 2.66Å; E177-R180 IonicContact OE1-NE 3.57Å; E177-R180 IonicContact OE1-NH1 3.29Å; E177-R180 PolarHBondContact OE1-NH1 3.2Å; E177-R180 IonicContact OE2-CZ 2.95Å; E177-R180 IonicContact OE2-NE 2.81Å; E177-R180 IonicContact OE2-NH1 2.74Å; E177-R180 PolarHBondContact OE2-NH1 3.33Å; E177-R180 IonicContact OE2-NH2 3.43Å; E177-R180 PolarHBondContact OE2-NH2 3.17Å
178R96.8Very high97.3Very high143 Ų14369.4 Ų69.454%0.5440%0.404SS..Hα-helixtrans-63.3-33.6179.5-174.956.4175.2149.7-1113L164 E174 A175 E176L164-R178 HydrophobicContact CD1-CB 4.37Å; L164-R178 HydrophobicContact CD1-CG 4.21Å; L164-R178 HydrophobicContact CD2-CG 4.47Å; E174-R178 VanDerWaalsContact O-CB 3.27Å; E174-R178 WeakPolarHBondContact O-CB 3.27Å; E174-R178 PolarHBondContact O-N 2.8Å; A175-R178 PolarHBondContact O-N 2.78Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.14Å
179L97.9Very high97.4Very high3 Ų373.3 Ų73.32%0.01641%0.414CS..Hα-helixtrans-89.9-9.5179.7-65.2177000113.3Y157 C160 F161 L164 A175 E176 E177 G181 T182 K187 L190Y157-L179 HydrophobicContact CD2-CD1 4.28Å; Y157-L179 HydrophobicContact CE2-CB 3.83Å; Y157-L179 HydrophobicContact CE2-CD1 3.95Å; C160-L179 HydrophobicContact CB-CD1 3.94Å; C160-L179 HydrophobicContact CB-CD2 3.8Å; F161-L179 HydrophobicContact CB-CD1 3.83Å; F161-L179 HydrophobicContact CD2-CD1 4.39Å; L164-L179 HydrophobicContact CD1-CD1 4.1Å; L164-L179 HydrophobicContact CD1-CD2 3.92Å; L164-L179 HydrophobicContact CD1-CG 3.82Å; A175-L179 WeakPolarHBondContact O-CG 3.35Å; A175-L179 PolarHBondContact O-N 3.23Å; A175-L179 VanDerWaalsContact O-N 3.07Å; E176-L179 PolarHBondContact O-N 3.26Å; E177-L179 VanDerWaalsContact C-N 3.28Å; E177-L179 PolarHBondContact O-N 3.29Å; L179-G181 PolarHBondContact O-N 2.65Å; L179-T182 WeakPolarHBondContact O-CB 3.5Å; L179-T182 PolarHBondContact O-N 3.07Å; L179-T182 PolarHBondContact O-OG1 2.9Å; L179-K187 HydrophobicContact CD2-CG 4.44Å; L179-L190 HydrophobicContact CD2-CD1 4.14Å
180R97.4Very high97.5Very high161 Ų16171 Ų7161%0.60839%0.387SS*.THydrogen-bonded Turntrans-61.6131.3-178.6-170.1178.8-66.4155.19.5111E176 E177 T182E176-R180 PolarHBondContact O-N 2.82Å; E177-R180 WeakPolarHBondContact O-CB 3.5Å; E177-R180 PolarHBondContact O-N 3.29Å; E177-R180 IonicContact OE1-CZ 2.66Å; E177-R180 IonicContact OE1-NE 3.57Å; E177-R180 IonicContact OE1-NH1 3.29Å; E177-R180 PolarHBondContact OE1-NH1 3.2Å; E177-R180 IonicContact OE2-CZ 2.95Å; E177-R180 IonicContact OE2-NE 2.81Å; E177-R180 IonicContact OE2-NH1 2.74Å; E177-R180 PolarHBondContact OE2-NH1 3.33Å; E177-R180 IonicContact OE2-NH2 3.43Å; E177-R180 PolarHBondContact OE2-NH2 3.17Å; R180-T182 PolarHBondContact O-N 3.36Å
181G96.9Very high97.5Very high77 Ų7768.9 Ų68.979%0.79438%0.375SS*.THydrogen-bonded Turntrans73.7-2.7178.400000115.4L179L179-G181 PolarHBondContact O-N 2.65Å
182T96.9Very high97.5Very high37 Ų3772.3 Ų72.323%0.22738%0.384CS..  trans-72143.917961.10000112L179 R180 D186 K187L179-T182 WeakPolarHBondContact O-CB 3.5Å; L179-T182 PolarHBondContact O-N 3.07Å; L179-T182 PolarHBondContact O-OG1 2.9Å; R180-T182 PolarHBondContact O-N 3.36Å; T182-D186 HydrophobicContact CG2-CB 4.43Å; T182-K187 PolarHBondContact O-NZ 2.77Å; T182-K187 WeakPolarHBondContact OG1-CE 3.28Å; T182-K187 PolarHBondContact OG1-NZ 3.43Å
183L96.8Very high97.5Very high115 Ų11574.5 Ų74.560%0.60239%0.394SS*.  trans-84.3173.5172.4-58.3179.6000111.2S185 D186 K187L183-S185 VanDerWaalsContact C-N 3.29Å; L183-S185 PolarHBondContact O-N 3.45Å; L183-D186 PolarHBondContact N-OD2 3.21Å; L183-D186 PolarHBondContact O-N 3.27Å; L183-K187 WeakPolarHBondContact O-CG 3.5Å; L183-K187 PolarHBondContact O-N 2.68Å
184S96.4Very high97.4Very high62 Ų6274.2 Ų74.243%0.43439%0.386SS..Hα-helixtrans-63.8-34.1175.3-57.80000112.3N188S184-N188 PolarHBondContact O-N 3.43Å; S184-N188 VanDerWaalsContact O-N 3.11Å; S184-N188 PolarHBondContact O-ND2 3.17Å
185S97.2Very high97.4Very high73 Ų7370.9 Ų70.951%0.5137%0.37SS..Hα-helixtrans-59.7-48.4174.446.50000111.5L183 K187 N188 E189L183-S185 VanDerWaalsContact C-N 3.29Å; L183-S185 PolarHBondContact O-N 3.45Å; S185-K187 VanDerWaalsContact C-N 3.3Å; S185-K187 PolarHBondContact O-N 3.34Å; S185-N188 PolarHBondContact O-N 3.43Å; S185-N188 VanDerWaalsContact O-N 3.14Å; S185-E189 PolarHBondContact O-N 2.81Å
186D97.9Very high97.3Very high64 Ų6477.5 Ų77.534%0.34241%0.405SS..Hα-helixtrans-65.3-37.7-175.6-44.4-21.5000110.7T182 L183 E189 L190T182-D186 HydrophobicContact CG2-CB 4.43Å; L183-D186 PolarHBondContact N-OD2 3.21Å; L183-D186 PolarHBondContact O-N 3.27Å; D186-E189 PolarHBondContact O-N 3.19Å; D186-L190 VanDerWaalsContact O-CB 3.23Å; D186-L190 WeakPolarHBondContact O-CB 3.36Å; D186-L190 PolarHBondContact O-N 2.96Å
187K98.3Very high97.2Very high22 Ų2273.5 Ų73.510%0.09639%0.388CS..Hα-helixtrans-63.8-43.9174.1-74.3-177.9-171640112.3L156 C160 L179 T182 L183 S185 L190 L191L156-K187 HydrophobicContact CD1-CB 4.09Å; L156-K187 HydrophobicContact CD2-CB 4.06Å; L156-K187 HydrophobicContact CD2-CD 4.26Å; L156-K187 HydrophobicContact CG-CB 3.94Å; L156-K187 HydrophobicContact CG-CD 4.01Å; C160-K187 VanDerWaalsContact SG-CB 3.56Å; C160-K187 PolarHBondContact SG-O 2.86Å; L179-K187 HydrophobicContact CD2-CG 4.44Å; T182-K187 PolarHBondContact O-NZ 2.77Å; T182-K187 WeakPolarHBondContact OG1-CE 3.28Å; T182-K187 PolarHBondContact OG1-NZ 3.43Å; L183-K187 WeakPolarHBondContact O-CG 3.5Å; L183-K187 PolarHBondContact O-N 2.68Å; S185-K187 VanDerWaalsContact C-N 3.3Å; S185-K187 PolarHBondContact O-N 3.34Å; K187-L190 PolarHBondContact O-N 3.25Å; K187-L191 WeakPolarHBondContact O-CG 3.32Å; K187-L191 PolarHBondContact O-N 3.23Å
188N97.5Very high97.1Very high49 Ų4971.7 Ų71.726%0.26238%0.381SS..Hα-helixtrans-64.5-43.3175.8-79.6-72.5000111.6S184 S185 L191 F192 Y199S184-N188 PolarHBondContact O-N 3.43Å; S184-N188 VanDerWaalsContact O-N 3.11Å; S184-N188 PolarHBondContact O-ND2 3.17Å; S185-N188 PolarHBondContact O-N 3.43Å; S185-N188 VanDerWaalsContact O-N 3.14Å; N188-L191 PolarHBondContact O-N 3.24Å; N188-F192 WeakPolarHBondContact O-CB 3.24Å; N188-F192 PolarHBondContact O-N 2.98Å; N188-Y199 WeakPolarHBondContact OD1-CB 3.13Å
189E97.8Very high97.1Very high133 Ų13365 Ų6562%0.62136%0.356SS*.Hα-helixtrans-63.1-41.9176.4-175.2176.6-176.900111.5S185 D186 F192 S193S185-E189 PolarHBondContact O-N 2.81Å; D186-E189 PolarHBondContact O-N 3.19Å; E189-F192 PolarHBondContact O-N 3.21Å; E189-S193 VanDerWaalsContact O-CB 3.26Å; E189-S193 WeakPolarHBondContact O-CB 3.35Å; E189-S193 PolarHBondContact O-N 3.02Å; E189-S193 PolarHBondContact O-OG 3.31Å
190L97.7Very high97.1Very high15 Ų1569.7 Ų69.78%0.07938%0.381CS..Hα-helixtrans-59.7-46.8175.3177.7151.7000111.6C160 L164 L179 D186 K187 F192 Q194 F195C160-L190 HydrophobicContact CB-CD2 4.15Å; L164-L190 HydrophobicContact CD1-CD1 4.37Å; L164-L190 HydrophobicContact CD2-CD1 4.47Å; L164-L190 HydrophobicContact CG-CD2 4.47Å; L179-L190 HydrophobicContact CD2-CD1 4.14Å; D186-L190 VanDerWaalsContact O-CB 3.23Å; D186-L190 WeakPolarHBondContact O-CB 3.36Å; D186-L190 PolarHBondContact O-N 2.96Å; K187-L190 PolarHBondContact O-N 3.25Å; L190-F192 VanDerWaalsContact C-N 3.35Å; L190-F192 PolarHBondContact O-N 3.37Å; L190-Q194 WeakPolarHBondContact O-CB 3.4Å; L190-Q194 PolarHBondContact O-N 2.88Å; L190-Q194 VanDerWaalsContact O-N 3.12Å; L190-F195 HydrophobicContact CD2-CD2 4.13Å; L190-F195 HydrophobicContact CD2-CE2 3.66Å
191L97.8Very high97Very high0 Ų068.2 Ų68.20%039%0.385CS..Hα-helixtrans-60-45.1176.5-73.5173000112.1L156 T159 C160 K163 K187 N188 F195 N196 C197 Y199L156-L191 HydrophobicContact CD1-CD1 3.91Å; T159-L191 HydrophobicContact CG2-CD1 4.11Å; T159-L191 HydrophobicContact CG2-CD2 3.9Å; C160-L191 VanDerWaalsContact SG-CG 3.53Å; K163-L191 HydrophobicContact CB-CD2 4.39Å; K163-L191 HydrophobicContact CG-CD2 3.95Å; K187-L191 WeakPolarHBondContact O-CG 3.32Å; K187-L191 PolarHBondContact O-N 3.23Å; N188-L191 PolarHBondContact O-N 3.24Å; L191-F195 HydrophobicContact CD2-CD2 4.32Å; L191-F195 CarbonylContact O-C 3.6Å; L191-F195 WeakPolarHBondContact O-CA 3.38Å; L191-F195 WeakPolarHBondContact O-CB 3.28Å; L191-F195 PolarHBondContact O-N 2.9Å; L191-N196 PolarHBondContact O-N 3.49Å; L191-C197 CarbonylContact C-O 3.55Å; L191-C197 HydrophobicContact CB-CB 4.32Å; L191-C197 WeakPolarHBondContact CB-O 3.47Å; L191-C197 PolarHBondContact O-N 3.01Å; L191-Y199 HydrophobicContact CD1-CD2 4.04Å; L191-Y199 HydrophobicContact CD1-CG 4.35Å
192F97.3Very high97Very high125 Ų12566.7 Ų66.755%0.54836%0.357SS..Hα-helixtrans-71.1-52.5-177-173.3-102.1000111.9N188 E189 L190 N196 C197N188-F192 WeakPolarHBondContact O-CB 3.24Å; N188-F192 PolarHBondContact O-N 2.98Å; E189-F192 PolarHBondContact O-N 3.21Å; L190-F192 VanDerWaalsContact C-N 3.35Å; L190-F192 PolarHBondContact O-N 3.37Å; F192-N196 WeakPolarHBondContact O-CA 3.38Å; F192-N196 PolarHBondContact O-N 2.87Å; F192-N196 VanDerWaalsContact O-N 3.08Å; F192-C197 WeakPolarHBondContact CA-O 3.27Å; F192-C197 PolarHBondContact N-O 2.77Å
193S96.9Very high97.1Very high77 Ų7767.9 Ų67.954%0.53837%0.366SS..Hα-helixtrans-70.6-40.1-172.759.90000113.6E189E189-S193 VanDerWaalsContact O-CB 3.26Å; E189-S193 WeakPolarHBondContact O-CB 3.35Å; E189-S193 PolarHBondContact O-N 3.02Å; E189-S193 PolarHBondContact O-OG 3.31Å
194Q96.9Very high97.1Very high98 Ų9866.6 Ų66.646%0.45836%0.357SS..Hα-helixtrans-95.6-31.5-174.1-61.6-175.526.800113.1L190L190-Q194 WeakPolarHBondContact O-CB 3.4Å; L190-Q194 PolarHBondContact O-N 2.88Å; L190-Q194 VanDerWaalsContact O-N 3.12Å
195F97Very high97.2Very high36 Ų3664.8 Ų64.816%0.15834%0.342CS..Hα-helixtrans-115.83.6-173.4-54.6-61.1000113.6K163 L164 N167 A168 L190 L191 C197K163-F195 HydrophobicContact CB-CD1 4.28Å; K163-F195 HydrophobicContact CB-CD2 3.58Å; K163-F195 HydrophobicContact CB-CE1 4.27Å; K163-F195 HydrophobicContact CB-CE2 3.56Å; K163-F195 HydrophobicContact CB-CG 3.95Å; K163-F195 HydrophobicContact CB-CZ 3.93Å; K163-F195 HydrophobicContact CD-CB 4.37Å; K163-F195 HydrophobicContact CD-CG 4.32Å; K163-F195 HydrophobicContact CG-CD2 4.17Å; K163-F195 HydrophobicContact CG-CG 4.32Å; L164-F195 HydrophobicContact CD2-CE2 4.21Å; L164-F195 HydrophobicContact CD2-CZ 3.93Å; L164-F195 HydrophobicContact CG-CE2 4.29Å; L164-F195 HydrophobicContact CG-CZ 4.23Å; N167-F195 HydrophobicContact CB-CD1 3.89Å; N167-F195 HydrophobicContact CB-CE1 3.78Å; A168-F195 HydrophobicContact CB-CE1 4.08Å; A168-F195 HydrophobicContact CB-CZ 4.14Å; L190-F195 HydrophobicContact CD2-CD2 4.13Å; L190-F195 HydrophobicContact CD2-CE2 3.66Å; L191-F195 HydrophobicContact CD2-CD2 4.32Å; L191-F195 CarbonylContact O-C 3.6Å; L191-F195 WeakPolarHBondContact O-CA 3.38Å; L191-F195 WeakPolarHBondContact O-CB 3.28Å; L191-F195 PolarHBondContact O-N 2.9Å; F195-C197 HydrophobicContact CB-CB 4.1Å; F195-C197 PolarHBondContact O-N 3.46Å; F195-C197 VanDerWaalsContact O-N 3.09Å
196N96.2Very high97.3Very high139 Ų13962.5 Ų62.574%0.74332%0.323SS*.  trans47.737.2-173.9-165.633.6000111.8L191 F192L191-N196 PolarHBondContact O-N 3.49Å; F192-N196 WeakPolarHBondContact O-CA 3.38Å; F192-N196 PolarHBondContact O-N 2.87Å; F192-N196 VanDerWaalsContact O-N 3.08Å
197C95.4Very high97.3Very high13 Ų1361.3 Ų61.39%0.08831%0.314CS..  trans-112.6113-173.7177.10000108.8L191 F192 F195L191-C197 CarbonylContact C-O 3.55Å; L191-C197 HydrophobicContact CB-CB 4.32Å; L191-C197 WeakPolarHBondContact CB-O 3.47Å; L191-C197 PolarHBondContact O-N 3.01Å; F192-C197 WeakPolarHBondContact CA-O 3.27Å; F192-C197 PolarHBondContact N-O 2.77Å; F195-C197 HydrophobicContact CB-CB 4.1Å; F195-C197 PolarHBondContact O-N 3.46Å; F195-C197 VanDerWaalsContact O-N 3.09Å
198N96.5Very high97.3Very high63 Ų6362.5 Ų62.534%0.33732%0.319SS..  trans-87.8108.7171.6-176.4-11.3000109.1N200 N201N198-N200 PolarHBondContact O-N 3.41Å; N198-N200 VanDerWaalsContact O-N 3.12Å; N198-N200 WeakPolarHBondContact OD1-CB 3.42Å; N198-N200 PolarHBondContact OD1-N 3.17Å; N198-N200 VanDerWaalsContact OD1-N 3.08Å; N198-N201 HydrophobicContact CB-CB 4.48Å; N198-N201 WeakPolarHBondContact O-CB 3.43Å; N198-N201 PolarHBondContact O-N 2.83Å
199Y97.1Very high97.3Very high3 Ų360.3 Ų60.31%0.01231%0.308CS..G310 helixtrans-54.5-33.7-179.2-177.8-108.5000112.8H152 N155 L156 N188 L191 N201 E202 R207H152-Y199 AromaticContact CE1-CE1 3.65Å; H152-Y199 AromaticContact ND1-CE1 3.98Å; H152-Y199 PolarHBondContact O-OH 3.28Å; N155-Y199 VanDerWaalsContact ND2-CE2 3.27Å; N155-Y199 WeakPolarHBondContact ND2-CE2 3.37Å; N155-Y199 PolarHBondContact ND2-OH 3.4Å; L156-Y199 HydrophobicContact CB-CE1 4.26Å; L156-Y199 HydrophobicContact CB-CE2 4.09Å; L156-Y199 HydrophobicContact CD1-CD1 3.97Å; L156-Y199 HydrophobicContact CD1-CD2 3.77Å; L156-Y199 HydrophobicContact CD1-CE1 4.13Å; L156-Y199 HydrophobicContact CD1-CE2 3.94Å; L156-Y199 HydrophobicContact CD1-CG 3.77Å; L156-Y199 PolarHBondContact N-OH 2.85Å; N188-Y199 WeakPolarHBondContact OD1-CB 3.13Å; L191-Y199 HydrophobicContact CD1-CD2 4.04Å; L191-Y199 HydrophobicContact CD1-CG 4.35Å; Y199-N201 PolarHBondContact O-N 3.2Å; Y199-N201 VanDerWaalsContact O-N 3.14Å; Y199-E202 HydrophobicContact CD2-CG 4.08Å; Y199-E202 VanDerWaalsContact O-CB 3.25Å; Y199-E202 WeakPolarHBondContact O-CB 3.23Å; Y199-E202 WeakPolarHBondContact O-CG 3.31Å; Y199-E202 PolarHBondContact O-N 2.98Å; Y199-R207 HydrophobicContact CE1-CG 4.05Å; Y199-R207 HydrophobicContact CE2-CG 4.29Å; Y199-R207 VanDerWaalsContact O-CD 3.24Å; Y199-R207 WeakPolarHBondContact O-CD 3.39Å
200N96.3Very high97.4Very high102 Ų10254.1 Ų54.155%0.54528%0.279SS..G310 helixtrans-65-19.7179.1-65.6-44000113.4N198 R207N198-N200 PolarHBondContact O-N 3.41Å; N198-N200 VanDerWaalsContact O-N 3.12Å; N198-N200 WeakPolarHBondContact OD1-CB 3.42Å; N198-N200 PolarHBondContact OD1-N 3.17Å; N198-N200 VanDerWaalsContact OD1-N 3.08Å; N200-R207 PolarHBondContact O-NE 3.37Å; N200-R207 PolarHBondContact O-NH2 3.44Å; N200-R207 VanDerWaalsContact O-NH2 3.15Å
201N97.3Very high97.4Very high130 Ų13053.6 Ų53.670%0.69528%0.276SS*.G310 helixtrans-88.6-5.6175.4-65.1-10.4000112.8N198 Y199N198-N201 HydrophobicContact CB-CB 4.48Å; N198-N201 WeakPolarHBondContact O-CB 3.43Å; N198-N201 PolarHBondContact O-N 2.83Å; Y199-N201 PolarHBondContact O-N 3.2Å; Y199-N201 VanDerWaalsContact O-N 3.14Å
202E96.8Very high97.5Very high44 Ų4453.7 Ų53.721%0.20628%0.277CS..SBendtrans-61149.4171.2-71-67124.900110.2Y199 E204 R207Y199-E202 HydrophobicContact CD2-CG 4.08Å; Y199-E202 VanDerWaalsContact O-CB 3.25Å; Y199-E202 WeakPolarHBondContact O-CB 3.23Å; Y199-E202 WeakPolarHBondContact O-CG 3.31Å; Y199-E202 PolarHBondContact O-N 2.98Å; E202-E204 PolarHBondContact O-N 3.21Å; E202-R207 HydrophobicContact CB-CG 4.05Å; E202-R207 VanDerWaalsContact O-CZ 3.3Å; E202-R207 PolarHBondContact O-NE 2.85Å; E202-R207 PolarHBondContact O-NH2 2.78Å
203P98Very high97.5Very high63 Ų6348 Ų4841%0.40925%0.252SS..  trans-51.2138.3178.3-3036.3000113.1L205 F206 R207P203-L205 PolarHBondContact O-N 3Å; P203-F206 HydrophobicContact CB-CD2 3.86Å; P203-F206 HydrophobicContact CB-CE2 4.02Å; P203-F206 HydrophobicContact CB-CG 4.16Å; P203-F206 HydrophobicContact CB-CZ 4.45Å; P203-F206 HydrophobicContact CG-CD2 3.74Å; P203-F206 HydrophobicContact CG-CE2 3.59Å; P203-F206 HydrophobicContact CG-CZ 4.26Å; P203-F206 PolarHBondContact O-N 3.27Å; P203-R207 PolarHBondContact O-N 3.14Å; P203-R207 VanDerWaalsContact O-N 3.17Å
204E98Very high97.5Very high88 Ų8846.3 Ų46.341%0.41123%0.234SC..Hα-helixtrans-60.9-33.4178.6-69-162.8122.800112.4E202 F206 R207 K208 N223E202-E204 PolarHBondContact O-N 3.21Å; E204-F206 PolarHBondContact O-N 3.37Å; E204-R207 PolarHBondContact O-N 3.11Å; E204-K208 HydrophobicContact CB-CD 4.39Å; E204-K208 WeakPolarHBondContact O-CB 3.49Å; E204-K208 PolarHBondContact O-N 2.89Å; E204-K208 IonicContact OE1-NZ 2.69Å; E204-K208 PolarHBondContact OE1-NZ 3.47Å; E204-N223 HydrophobicContact CB-CB 3.77Å
205L98Very high97.3Very high24 Ų2443.6 Ų43.613%0.12622%0.223CC..Hα-helixtrans-49.4-41.9171.3174.862.8000112.4T48 L51 L52 P203 G209 T210 N223T48-L205 HydrophobicContact CG2-CD2 4.27Å; L51-L205 HydrophobicContact CB-CD1 4.47Å; L51-L205 HydrophobicContact CB-CD2 4.26Å; L51-L205 HydrophobicContact CD1-CD2 4.22Å; L51-L205 HydrophobicContact CD1-CG 4.13Å; L52-L205 HydrophobicContact CD2-CD2 4.28Å; P203-L205 PolarHBondContact O-N 3Å; L205-G209 VanDerWaalsContact O-CA 3.31Å; L205-G209 WeakPolarHBondContact O-CA 3.49Å; L205-G209 PolarHBondContact O-N 3.46Å; L205-T210 WeakPolarHBondContact CD1-OG1 3.46Å; L205-N223 WeakPolarHBondContact CD1-ND2 3.42Å
206F98.3Very high96.8Very high24 Ų2450.7 Ų50.711%0.10525%0.253CS..Hα-helixtrans-81.3-38.6-178.1-54.9-19.7000111.7N46 T48 L51 N155 P203 E204N46-F206 HydrophobicContact CB-CD1 3.67Å; N46-F206 HydrophobicContact CB-CD2 4Å; N46-F206 HydrophobicContact CB-CE1 3.7Å; N46-F206 HydrophobicContact CB-CE2 4.01Å; N46-F206 HydrophobicContact CB-CG 3.84Å; N46-F206 HydrophobicContact CB-CZ 3.87Å; T48-F206 WeakPolarHBondContact OG1-CZ 3.39Å; L51-F206 HydrophobicContact CD1-CD1 3.61Å; L51-F206 HydrophobicContact CD1-CE1 3.68Å; N155-F206 WeakPolarHBondContact CB-O 3.38Å; N155-F206 PolarHBondContact ND2-O 3.04Å; P203-F206 HydrophobicContact CB-CD2 3.86Å; P203-F206 HydrophobicContact CB-CE2 4.02Å; P203-F206 HydrophobicContact CB-CG 4.16Å; P203-F206 HydrophobicContact CB-CZ 4.45Å; P203-F206 HydrophobicContact CG-CD2 3.74Å; P203-F206 HydrophobicContact CG-CE2 3.59Å; P203-F206 HydrophobicContact CG-CZ 4.26Å; P203-F206 PolarHBondContact O-N 3.27Å; E204-F206 PolarHBondContact O-N 3.37Å
207R98.1Very high96.3Very high40 Ų4049.3 Ų49.315%0.15126%0.255CS..Hα-helixtrans-79.5-30.6-175.4-71.4-168.3-76.2107.62.6114.6Y199 N200 E202 P203 E204Y199-R207 HydrophobicContact CE1-CG 4.05Å; Y199-R207 HydrophobicContact CE2-CG 4.29Å; Y199-R207 VanDerWaalsContact O-CD 3.24Å; Y199-R207 WeakPolarHBondContact O-CD 3.39Å; N200-R207 PolarHBondContact O-NE 3.37Å; N200-R207 PolarHBondContact O-NH2 3.44Å; N200-R207 VanDerWaalsContact O-NH2 3.15Å; E202-R207 HydrophobicContact CB-CG 4.05Å; E202-R207 VanDerWaalsContact O-CZ 3.3Å; E202-R207 PolarHBondContact O-NE 2.85Å; E202-R207 PolarHBondContact O-NH2 2.78Å; P203-R207 PolarHBondContact O-N 3.14Å; P203-R207 VanDerWaalsContact O-N 3.17Å; E204-R207 PolarHBondContact O-N 3.11Å
208K98.2Very high96.3Very high47 Ų4752.4 Ų52.420%0.20427%0.273CS..Hα-helixtrans-118.7-13.2-170.9-66.5174.4169175.70112.9Y72 Q148 E204 N223Y72-K208 VanDerWaalsContact CE2-O 3.29Å; Y72-K208 WeakPolarHBondContact CE2-O 3.46Å; Y72-K208 PolarHBondContact OH-O 2.97Å; Q148-K208 PolarHBondContact NE2-O 3.34Å; E204-K208 HydrophobicContact CB-CD 4.39Å; E204-K208 WeakPolarHBondContact O-CB 3.49Å; E204-K208 PolarHBondContact O-N 2.89Å; E204-K208 IonicContact OE1-NZ 2.69Å; E204-K208 PolarHBondContact OE1-NZ 3.47Å; K208-N223 WeakPolarHBondContact CD-O 3.49Å
209G98.5Very high96.4Very high3 Ų351.2 Ų51.23%0.03127%0.266CS..  trans70.7-166-168.900000111.4G73 C151 L205 N223G73-G209 WeakPolarHBondContact O-CA 3.23Å; C151-G209 PolarHBondContact SG-N 3.28Å; L205-G209 VanDerWaalsContact O-CA 3.31Å; L205-G209 WeakPolarHBondContact O-CA 3.49Å; L205-G209 PolarHBondContact O-N 3.46Å; G209-N223 PolarHBondContact O-ND2 3.01Å
210T98.8Very high96.4Very high3 Ų354.4 Ų54.42%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-118129.2179.2-57.70000110.7V55 Y72 G73 L205 L212 Q221 N223V55-T210 HydrophobicContact CG1-CG2 4.02Å; V55-T210 HydrophobicContact CG2-CG2 3.7Å; V55-T210 WeakPolarHBondContact CG2-OG1 3.45Å; Y72-T210 CarbonylContact C-O 3.26Å; Y72-T210 WeakPolarHBondContact CA-O 3.45Å; Y72-T210 WeakPolarHBondContact CD2-O 2.79Å; G73-T210 PolarHBondContact N-O 2.89Å; G73-T210 PolarHBondContact O-N 3.14Å; L205-T210 WeakPolarHBondContact CD1-OG1 3.46Å; T210-L212 HydrophobicContact CG2-CD2 4.34Å; T210-Q221 HydrophobicContact CG2-CG 3.62Å; T210-N223 PolarHBondContact OG1-ND2 3.39Å
211V98.8Very high96.5Very high3 Ų354.1 Ų54.12%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-102.7132.3165.164.20000109.3L70 A71 Y72 F213 Q221 A222 I224 I226 F231L70-V211 HydrophobicContact CD1-CG2 3.88Å; L70-V211 HydrophobicContact CD2-CG2 4.33Å; L70-V211 HydrophobicContact CG-CG2 3.93Å; A71-V211 CarbonylContact O-C 3.54Å; A71-V211 WeakPolarHBondContact O-CA 3.45Å; Y72-V211 HydrophobicContact CD2-CB 4.42Å; V211-F213 HydrophobicContact CG1-CD1 4.27Å; V211-F213 HydrophobicContact CG1-CE1 4.45Å; V211-F213 HydrophobicContact CG2-CD1 4.21Å; V211-Q221 WeakPolarHBondContact O-CA 3.4Å; V211-A222 HydrophobicContact CG1-CB 3.96Å; V211-A222 WeakPolarHBondContact CG1-O 3.21Å; V211-A222 PolarHBondContact N-O 3.15Å; V211-A222 PolarHBondContact O-N 3.14Å; V211-I224 HydrophobicContact CG1-CD1 4.42Å; V211-I224 HydrophobicContact CG1-CG1 3.88Å; V211-I226 HydrophobicContact CB-CG2 4.31Å; V211-I226 HydrophobicContact CG1-CG2 4.2Å; V211-I226 HydrophobicContact CG2-CG2 4.33Å; V211-F231 HydrophobicContact CG1-CE2 4.43Å; V211-F231 HydrophobicContact CG2-CZ 4.14Å
212L98.7Very high96.5Very high2 Ų248.9 Ų48.91%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-110.8130.3166.5-61.2176.5000107.5V55 A58 E59 M62 L70 A71 F78 T210 I219 E220 Q221V55-L212 HydrophobicContact CG1-CD1 4.5Å; V55-L212 HydrophobicContact CG1-CD2 4.14Å; A58-L212 HydrophobicContact CB-CD1 3.68Å; E59-L212 HydrophobicContact CB-CD1 4.27Å; M62-L212 HydrophobicContact CE-CB 4.44Å; M62-L212 HydrophobicContact SD-CB 3.5Å; M62-L212 VanDerWaalsContact SD-CB 3.5Å; M62-L212 HydrophobicContact SD-CD1 4.17Å; L70-L212 CarbonylContact C-O 3.58Å; L70-L212 VanDerWaalsContact CA-O 3.28Å; L70-L212 WeakPolarHBondContact CA-O 3.39Å; A71-L212 HydrophobicContact CB-CB 4.29Å; A71-L212 PolarHBondContact N-O 3.2Å; A71-L212 PolarHBondContact O-N 3.37Å; F78-L212 HydrophobicContact CE1-CD1 4.3Å; F78-L212 HydrophobicContact CZ-CD1 4.26Å; T210-L212 HydrophobicContact CG2-CD2 4.34Å; L212-I219 HydrophobicContact CB-CG2 4.15Å; L212-I219 HydrophobicContact CD2-CG2 4.42Å; L212-E220 CarbonylContact C-O 3.46Å; L212-E220 VanDerWaalsContact CA-O 3.25Å; L212-E220 WeakPolarHBondContact CA-O 3.35Å; L212-Q221 HydrophobicContact CD2-CB 3.57Å; L212-Q221 HydrophobicContact CD2-CG 3.71Å
213F98.1Very high96.6Very high5 Ų548.5 Ų48.52%0.02225%0.251CS..EExtended strand (participates in β ladder)trans-142.7150.2179.459.6-83.4000111.3V69 V211 N215 I219 E220 A222 F231 H235 I238V69-F213 WeakPolarHBondContact O-CA 3.48Å; V211-F213 HydrophobicContact CG1-CD1 4.27Å; V211-F213 HydrophobicContact CG1-CE1 4.45Å; V211-F213 HydrophobicContact CG2-CD1 4.21Å; F213-N215 PolarHBondContact O-N 3.4Å; F213-I219 WeakPolarHBondContact O-CA 3.4Å; F213-E220 HydrophobicContact CD1-CB 4.47Å; F213-E220 HydrophobicContact CD2-CB 4.33Å; F213-E220 HydrophobicContact CE1-CB 3.98Å; F213-E220 HydrophobicContact CE2-CB 3.83Å; F213-E220 HydrophobicContact CE2-CG 4.41Å; F213-E220 WeakPolarHBondContact CE2-OE2 3.32Å; F213-E220 HydrophobicContact CZ-CB 3.63Å; F213-E220 WeakPolarHBondContact CZ-OE2 3.42Å; F213-E220 PolarHBondContact N-O 3.17Å; F213-E220 PolarHBondContact O-N 3.19Å; F213-A222 HydrophobicContact CE1-CB 4.21Å; F213-F231 HydrophobicContact CD1-CE2 4.07Å; F213-F231 HydrophobicContact CD1-CZ 4.25Å; F213-F231 HydrophobicContact CE1-CE2 4.12Å; F213-F231 HydrophobicContact CG-CE2 4.49Å; F213-F231 HydrophobicContact CG-CZ 4.38Å; F213-H235 AromaticContact CE2-CE1 3.78Å; F213-H235 AromaticContact CE2-NE2 3.8Å; F213-H235 AromaticContact CZ-CE1 3.98Å; F213-H235 AromaticContact CZ-NE2 3.7Å; F213-I238 HydrophobicContact CB-CD1 3.77Å; F213-I238 HydrophobicContact CD2-CD1 4.09Å; F213-I238 HydrophobicContact CG-CD1 4.12Å
214R96Very high96.6Very high42 Ų4248 Ų4816%0.15825%0.245CC..EExtended strand (participates in β ladder)trans-90.3105.7-174.7-173.3179.4-55.9-74.4-3.4110.7M62 Q65 K66 I68 V69 K216 T218 Y237M62-R214 PolarHBondContact O-NH2 2.86Å; Q65-R214 PolarHBondContact O-NH2 2.73Å; K66-R214 PolarHBondContact O-NE 3.28Å; K66-R214 VanDerWaalsContact O-NE 3.15Å; K66-R214 PolarHBondContact O-NH2 3.46Å; I68-R214 PolarHBondContact O-NE 3.31Å; I68-R214 PolarHBondContact O-NH2 3.46Å; V69-R214 PolarHBondContact O-N 3.23Å; R214-K216 WeakPolarHBondContact CG-O 3.47Å; R214-T218 CarbonylContact C-O 3.19Å; R214-T218 WeakPolarHBondContact CA-O 3.36Å; R214-Y237 WeakPolarHBondContact O-CE2 3.46Å
215N93Very high96.6Very high42 Ų4246.2 Ų46.223%0.22524%0.238CC..EExtended strand (participates in β ladder)trans-92.9104167.2-172.1-4.4000109.3F213 S217 T218 E220F213-N215 PolarHBondContact O-N 3.4Å; N215-S217 PolarHBondContact O-N 3.41Å; N215-T218 PolarHBondContact N-O 2.81Å; N215-T218 PolarHBondContact O-N 3.06Å; N215-T218 PolarHBondContact O-OG1 3.46Å; N215-E220 HydrophobicContact CB-CG 4.2Å; N215-E220 WeakPolarHBondContact CB-OE1 3.23Å; N215-E220 PolarHBondContact ND2-OE1 2.97Å
216K86.2Confident96.6Very high184 Ų18445.1 Ų45.180%0.823%0.232SC*.THydrogen-bonded Turntrans55.1-109.4-175-57.5170-176.2173.60111.5R214R214-K216 WeakPolarHBondContact CG-O 3.47Å
217S86.8Confident96.6Very high111 Ų11146.9 Ų46.978%0.77624%0.242SC*.THydrogen-bonded Turntrans-100.1-3.8-179.7510000113.7N215N215-S217 PolarHBondContact O-N 3.41Å
218T94.7Very high96.5Very high77 Ų7751.7 Ų51.747%0.47226%0.264SS..EExtended strand (participates in β ladder)trans-105.7153.3179.7530000111.3R214 N215R214-T218 CarbonylContact C-O 3.19Å; R214-T218 WeakPolarHBondContact CA-O 3.36Å; N215-T218 PolarHBondContact N-O 2.81Å; N215-T218 PolarHBondContact O-N 3.06Å; N215-T218 PolarHBondContact O-OG1 3.46Å
219I97.6Very high96.5Very high38 Ų3853.7 Ų53.720%0.19528%0.276CS..EExtended strand (participates in β ladder)trans-103.8121.1171-62.9158.9000106.1M62 Q63 L212 F213M62-I219 HydrophobicContact CB-CD1 3.56Å; M62-I219 HydrophobicContact CB-CG1 4.3Å; M62-I219 HydrophobicContact CE-CG1 4.41Å; M62-I219 HydrophobicContact CE-CG2 4.22Å; M62-I219 HydrophobicContact SD-CG2 4.25Å; Q63-I219 HydrophobicContact CB-CD1 4.45Å; Q63-I219 HydrophobicContact CG-CD1 3.65Å; L212-I219 HydrophobicContact CB-CG2 4.15Å; L212-I219 HydrophobicContact CD2-CG2 4.42Å; F213-I219 WeakPolarHBondContact O-CA 3.4Å
220E97.7Very high96.4Very high70 Ų7059.7 Ų59.733%0.32730%0.304SS..EExtended strand (participates in β ladder)trans-98.7146175.1-68-175.8-158.800109.6L212 F213 N215L212-E220 CarbonylContact C-O 3.46Å; L212-E220 VanDerWaalsContact CA-O 3.25Å; L212-E220 WeakPolarHBondContact CA-O 3.35Å; F213-E220 HydrophobicContact CD1-CB 4.47Å; F213-E220 HydrophobicContact CD2-CB 4.33Å; F213-E220 HydrophobicContact CE1-CB 3.98Å; F213-E220 HydrophobicContact CE2-CB 3.83Å; F213-E220 HydrophobicContact CE2-CG 4.41Å; F213-E220 WeakPolarHBondContact CE2-OE2 3.32Å; F213-E220 HydrophobicContact CZ-CB 3.63Å; F213-E220 WeakPolarHBondContact CZ-OE2 3.42Å; F213-E220 PolarHBondContact N-O 3.17Å; F213-E220 PolarHBondContact O-N 3.19Å; N215-E220 HydrophobicContact CB-CG 4.2Å; N215-E220 WeakPolarHBondContact CB-OE1 3.23Å; N215-E220 PolarHBondContact ND2-OE1 2.97Å
221Q98Very high96.3Very high96 Ų9659.7 Ų59.745%0.44930%0.304SS..EExtended strand (participates in β ladder)trans-116.8133.8177179.5-173.7-45.200109.3V55 T210 V211 L212V55-Q221 HydrophobicContact CG1-CG 4.38Å; V55-Q221 VanDerWaalsContact CG1-OE1 3.23Å; T210-Q221 HydrophobicContact CG2-CG 3.62Å; V211-Q221 WeakPolarHBondContact O-CA 3.4Å; L212-Q221 HydrophobicContact CD2-CB 3.57Å; L212-Q221 HydrophobicContact CD2-CG 3.71Å
222A98Very high96.3Very high20 Ų2060 Ų6017%0.16530%0.304CS..EExtended strand (participates in β ladder)trans-146.3157.2174.900000112.3V211 F213 I224V211-A222 HydrophobicContact CG1-CB 3.96Å; V211-A222 WeakPolarHBondContact CG1-O 3.21Å; V211-A222 PolarHBondContact N-O 3.15Å; V211-A222 PolarHBondContact O-N 3.14Å; F213-A222 HydrophobicContact CE1-CB 4.21Å; A222-I224 HydrophobicContact CB-CB 4.47Å; A222-I224 HydrophobicContact CB-CD1 3.75Å; A222-I224 HydrophobicContact CB-CG1 3.76Å; A222-I224 HydrophobicContact CB-CG2 4.09Å
223N98.3Very high96.1Very high37 Ų3765.5 Ų65.520%0.19833%0.334CS..  trans-114.861.7172.7-58.2111.4000109.3E204 L205 K208 G209 T210E204-N223 HydrophobicContact CB-CB 3.77Å; L205-N223 WeakPolarHBondContact CD1-ND2 3.42Å; K208-N223 WeakPolarHBondContact CD-O 3.49Å; G209-N223 PolarHBondContact O-ND2 3.01Å; T210-N223 PolarHBondContact OG1-ND2 3.39Å
224I97.8Very high96Very high53 Ų5370.5 Ų70.527%0.27236%0.357SS..  trans-116.7164.9-169.658.4-178.9000112.4Q148 V211 A222 I226 F231Q148-I224 PolarHBondContact NE2-O 3.38Å; V211-I224 HydrophobicContact CG1-CD1 4.42Å; V211-I224 HydrophobicContact CG1-CG1 3.88Å; A222-I224 HydrophobicContact CB-CB 4.47Å; A222-I224 HydrophobicContact CB-CD1 3.75Å; A222-I224 HydrophobicContact CB-CG1 3.76Å; A222-I224 HydrophobicContact CB-CG2 4.09Å; I224-I226 PolarHBondContact O-N 2.94Å; I224-F231 HydrophobicContact CD1-CD2 3.46Å; I224-F231 VanDerWaalsContact CD1-CD2 3.46Å; I224-F231 HydrophobicContact CD1-CE2 3.84Å; I224-F231 HydrophobicContact CG1-CD2 4.19Å
225D98.2Very high96Very high50 Ų5069.7 Ų69.727%0.26736%0.355SS..  trans-74123.4174.7-175.2-91.2000109.3I227 K228 F231D225-I227 PolarHBondContact OD1-N 2.79Å; D225-K228 VanDerWaalsContact OD1-CB 3.32Å; D225-K228 WeakPolarHBondContact OD1-CB 3.2Å; D225-K228 VanDerWaalsContact OD1-CG 3.28Å; D225-K228 WeakPolarHBondContact OD1-CG 3.37Å; D225-K228 PolarHBondContact OD1-N 2.72Å; D225-F231 WeakPolarHBondContact O-CB 3.25Å
226I98.3Very high96Very high0 Ų071.8 Ų71.80%037%0.371CS..  trans-111.26.3175.864.7174.1000111.4Y72 L144 Q148 V211 I224 F231 W232Y72-I226 HydrophobicContact CD2-CD1 3.78Å; Y72-I226 HydrophobicContact CE2-CD1 4.25Å; Y72-I226 HydrophobicContact CG-CD1 4.19Å; L144-I226 HydrophobicContact CB-CD1 3.99Å; Q148-I226 HydrophobicContact CB-CG1 4.43Å; V211-I226 HydrophobicContact CB-CG2 4.31Å; V211-I226 HydrophobicContact CG1-CG2 4.2Å; V211-I226 HydrophobicContact CG2-CG2 4.33Å; I224-I226 PolarHBondContact O-N 2.94Å; I226-F231 HydrophobicContact CB-CD1 3.95Å; I226-F231 HydrophobicContact CB-CE1 4.33Å; I226-F231 HydrophobicContact CB-CG 4.28Å; I226-F231 HydrophobicContact CG2-CB 4.43Å; I226-F231 HydrophobicContact CG2-CD1 3.7Å; I226-F231 HydrophobicContact CG2-CD2 3.96Å; I226-F231 HydrophobicContact CG2-CE1 3.87Å; I226-F231 HydrophobicContact CG2-CE2 4.11Å; I226-F231 HydrophobicContact CG2-CG 3.75Å; I226-F231 HydrophobicContact CG2-CZ 4.06Å; I226-W232 HydrophobicContact CB-CZ2 4.43Å; I226-W232 PolarHBondContact O-NE1 3.49Å
227I98.3Very high96.3Very high62 Ų6267.6 Ų67.632%0.31835%0.351SS..SBendtrans-77.8-49.8176.7-65162.8000109.4Q148 V149 D225Q148-I227 HydrophobicContact CB-CD1 4.21Å; Q148-I227 HydrophobicContact CB-CG1 4.25Å; Q148-I227 HydrophobicContact CG-CD1 4.13Å; Q148-I227 HydrophobicContact CG-CG1 4.45Å; V149-I227 HydrophobicContact CG2-CD1 3.77Å; D225-I227 PolarHBondContact OD1-N 2.79Å
228K97Very high96.6Very high141 Ų14162.6 Ų62.661%0.61332%0.316SS*.SBendtrans-73158.5-178.8-65.7175.7-176.3-179.60112D225 Q230 W232D225-K228 VanDerWaalsContact OD1-CB 3.32Å; D225-K228 WeakPolarHBondContact OD1-CB 3.2Å; D225-K228 VanDerWaalsContact OD1-CG 3.28Å; D225-K228 WeakPolarHBondContact OD1-CG 3.37Å; D225-K228 PolarHBondContact OD1-N 2.72Å; K228-Q230 PolarHBondContact O-N 2.87Å; K228-W232 VanDerWaalsContact O-CD1 3.25Å
229D97Very high96.5Very high88 Ų8860 Ų6047%0.47130%0.299SS..Hα-helixtrans-62-28.1-179.7-66.4-43.1000113.4R141 F231 W232 D233R141-D229 IonicContact CZ-OD1 2.7Å; R141-D229 VanDerWaalsContact CZ-OD1 3.23Å; R141-D229 IonicContact NH1-OD1 3.31Å; R141-D229 PolarHBondContact NH1-OD1 2.81Å; R141-D229 IonicContact NH2-OD1 3.99Å; R141-D229 PolarHBondContact NH2-OD1 3.32Å; D229-F231 VanDerWaalsContact C-N 3.34Å; D229-F231 PolarHBondContact O-N 3.45Å; D229-F231 VanDerWaalsContact O-N 3.16Å; D229-W232 CarbonylContact O-C 3.43Å; D229-W232 WeakPolarHBondContact O-CA 3.29Å; D229-W232 WeakPolarHBondContact O-CB 3.22Å; D229-W232 PolarHBondContact O-N 2.66Å; D229-D233 PolarHBondContact O-N 3.42Å
230Q97.5Very high95.7Very high129 Ų12959.9 Ų59.960%0.60331%0.306SS*.Hα-helixtrans-47.9-49.9-176.3-177178.9-400113.7K228 W232 D233 E234K228-Q230 PolarHBondContact O-N 2.87Å; Q230-W232 VanDerWaalsContact C-N 3.29Å; Q230-W232 PolarHBondContact O-N 3.24Å; Q230-D233 PolarHBondContact O-N 3Å; Q230-E234 VanDerWaalsContact CG-OE1 3.23Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.47Å; Q230-E234 PolarHBondContact NE2-OE1 3.21Å; Q230-E234 WeakPolarHBondContact O-CB 3.41Å; Q230-E234 VanDerWaalsContact O-CG 3.31Å; Q230-E234 WeakPolarHBondContact O-CG 3.4Å; Q230-E234 PolarHBondContact O-N 3.33Å
231F97.3Very high94.5Very high4 Ų462.3 Ų62.32%0.01833%0.328CS..Hα-helixtrans-60.9-39.6178.6170.7-101.2000112.4L70 V211 F213 I224 D225 I226 D229 H235 I238L70-F231 HydrophobicContact CD1-CE1 3.9Å; L70-F231 HydrophobicContact CD1-CZ 3.94Å; V211-F231 HydrophobicContact CG1-CE2 4.43Å; V211-F231 HydrophobicContact CG2-CZ 4.14Å; F213-F231 HydrophobicContact CD1-CE2 4.07Å; F213-F231 HydrophobicContact CD1-CZ 4.25Å; F213-F231 HydrophobicContact CE1-CE2 4.12Å; F213-F231 HydrophobicContact CG-CE2 4.49Å; F213-F231 HydrophobicContact CG-CZ 4.38Å; I224-F231 HydrophobicContact CD1-CD2 3.46Å; I224-F231 VanDerWaalsContact CD1-CD2 3.46Å; I224-F231 HydrophobicContact CD1-CE2 3.84Å; I224-F231 HydrophobicContact CG1-CD2 4.19Å; D225-F231 WeakPolarHBondContact O-CB 3.25Å; I226-F231 HydrophobicContact CB-CD1 3.95Å; I226-F231 HydrophobicContact CB-CE1 4.33Å; I226-F231 HydrophobicContact CB-CG 4.28Å; I226-F231 HydrophobicContact CG2-CB 4.43Å; I226-F231 HydrophobicContact CG2-CD1 3.7Å; I226-F231 HydrophobicContact CG2-CD2 3.96Å; I226-F231 HydrophobicContact CG2-CE1 3.87Å; I226-F231 HydrophobicContact CG2-CE2 4.11Å; I226-F231 HydrophobicContact CG2-CG 3.75Å; I226-F231 HydrophobicContact CG2-CZ 4.06Å; D229-F231 VanDerWaalsContact C-N 3.34Å; D229-F231 PolarHBondContact O-N 3.45Å; D229-F231 VanDerWaalsContact O-N 3.16Å; F231-H235 AromaticContact CD2-CD2 3.43Å; F231-H235 VanDerWaalsContact CD2-CD2 3.43Å; F231-H235 WeakPolarHBondContact CD2-CD2 3.26Å; F231-H235 AromaticContact CD2-NE2 3.94Å; F231-H235 AromaticContact CE2-CD2 3.34Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.41Å; F231-H235 AromaticContact CE2-NE2 3.91Å; F231-H235 WeakPolarHBondContact O-CB 3.24Å; F231-H235 PolarHBondContact O-CD2 3.48Å; F231-H235 PolarHBondContact O-N 3.12Å; F231-H235 VanDerWaalsContact O-N 3.12Å; F231-I238 HydrophobicContact CE1-CD1 4.09Å; F231-I238 HydrophobicContact CZ-CD1 3.77Å
232W96.9Very high92.9Very high8 Ų865 Ų653%0.0334%0.341CS..Hα-helixtrans-75.2-34.9-177.6-55.899.9000111.9L70 R141 L144 I226 K228 D229 Q230 H235 P236 I238 L239L70-W232 HydrophobicContact CD1-CH2 4.15Å; L70-W232 HydrophobicContact CD1-CZ3 4.4Å; R141-W232 HydrophobicContact CG-CD2 4.09Å; R141-W232 HydrophobicContact CG-CE3 4.42Å; R141-W232 HydrophobicContact CG-CH2 4.23Å; R141-W232 HydrophobicContact CG-CZ2 3.89Å; R141-W232 HydrophobicContact CG-CZ3 4.48Å; L144-W232 HydrophobicContact CD1-CH2 3.54Å; L144-W232 HydrophobicContact CD1-CZ2 4.05Å; I226-W232 HydrophobicContact CB-CZ2 4.43Å; I226-W232 PolarHBondContact O-NE1 3.49Å; K228-W232 VanDerWaalsContact O-CD1 3.25Å; D229-W232 CarbonylContact O-C 3.43Å; D229-W232 WeakPolarHBondContact O-CA 3.29Å; D229-W232 WeakPolarHBondContact O-CB 3.22Å; D229-W232 PolarHBondContact O-N 2.66Å; Q230-W232 VanDerWaalsContact C-N 3.29Å; Q230-W232 PolarHBondContact O-N 3.24Å; W232-H235 CarbonylContact O-C 3.57Å; W232-H235 VanDerWaalsContact O-C 3.26Å; W232-H235 PolarHBondContact O-N 2.97Å; W232-P236 WeakPolarHBondContact O-CA 3.47Å; W232-I238 HydrophobicContact CZ3-CG2 4.11Å; W232-L239 HydrophobicContact CD2-CD1 4.12Å; W232-L239 HydrophobicContact CE3-CD1 3.53Å; W232-L239 HydrophobicContact CE3-CD2 4.03Å; W232-L239 HydrophobicContact CE3-CG 3.69Å; W232-L239 HydrophobicContact CH2-CD2 4.47Å; W232-L239 HydrophobicContact CZ3-CD1 4.1Å; W232-L239 HydrophobicContact CZ3-CD2 3.7Å; W232-L239 HydrophobicContact CZ3-CG 3.84Å
233D95.7Very high92.6Very high119 Ų11967.3 Ų67.364%0.63635%0.35SS*.Hα-helixtrans-70.4-35.6175.6-66.5-22.2000111.8D229 Q230 H235 P236D229-D233 PolarHBondContact O-N 3.42Å; Q230-D233 PolarHBondContact O-N 3Å; D233-H235 VanDerWaalsContact C-N 3.32Å; D233-P236 WeakPolarHBondContact O-CD 3.42Å
234E95.5Very high92.3Very high109 Ų10968.8 Ų68.851%0.50936%0.358SS..Hα-helixtrans-74-23174.1-71.9174-16700112.4Q230 P236Q230-E234 VanDerWaalsContact CG-OE1 3.23Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.47Å; Q230-E234 PolarHBondContact NE2-OE1 3.21Å; Q230-E234 WeakPolarHBondContact O-CB 3.41Å; Q230-E234 VanDerWaalsContact O-CG 3.31Å; Q230-E234 WeakPolarHBondContact O-CG 3.4Å; Q230-E234 PolarHBondContact O-N 3.33Å; E234-P236 VanDerWaalsContact C-CD 3.49Å
235H95.3Very high92Very high25 Ų2569.7 Ų69.712%0.11636%0.362CS..  trans-132.156.1-176.8-50.4-49.4000114.1F213 F231 W232 D233 Y237 I238F213-H235 AromaticContact CE2-CE1 3.78Å; F213-H235 AromaticContact CE2-NE2 3.8Å; F213-H235 AromaticContact CZ-CE1 3.98Å; F213-H235 AromaticContact CZ-NE2 3.7Å; F231-H235 AromaticContact CD2-CD2 3.43Å; F231-H235 VanDerWaalsContact CD2-CD2 3.43Å; F231-H235 WeakPolarHBondContact CD2-CD2 3.26Å; F231-H235 AromaticContact CD2-NE2 3.94Å; F231-H235 AromaticContact CE2-CD2 3.34Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.41Å; F231-H235 AromaticContact CE2-NE2 3.91Å; F231-H235 WeakPolarHBondContact O-CB 3.24Å; F231-H235 PolarHBondContact O-CD2 3.48Å; F231-H235 PolarHBondContact O-N 3.12Å; F231-H235 VanDerWaalsContact O-N 3.12Å; W232-H235 CarbonylContact O-C 3.57Å; W232-H235 VanDerWaalsContact O-C 3.26Å; W232-H235 PolarHBondContact O-N 2.97Å; D233-H235 VanDerWaalsContact C-N 3.32Å; H235-Y237 HydrophobicContact CB-CE1 4.04Å; H235-Y237 PolarHBondContact ND1-OH 3.36Å; H235-Y237 PolarHBondContact O-N 3.09Å; H235-I238 HydrophobicContact CB-CD1 3.6Å; H235-I238 HydrophobicContact CB-CG1 4.07Å; H235-I238 PolarHBondContact O-N 2.92Å; H235-I238 VanDerWaalsContact O-N 3.13Å
236P93.6Very high91.7Very high86 Ų8670.9 Ų70.956%0.55837%0.368SS*.G310 helixtrans-64.9-21.8-171.526.5-35.7000113.4W232 D233 E234 I238W232-P236 WeakPolarHBondContact O-CA 3.47Å; D233-P236 WeakPolarHBondContact O-CD 3.42Å; E234-P236 VanDerWaalsContact C-CD 3.49Å; P236-I238 PolarHBondContact O-N 3.08Å
237Y91.8Very high91.2Very high97 Ų9775.3 Ų75.338%0.3839%0.391SS..G310 helixtrans-68.2-17.4179.157.4-97000113.9R214 H235R214-Y237 WeakPolarHBondContact O-CE2 3.46Å; H235-Y237 HydrophobicContact CB-CE1 4.04Å; H235-Y237 PolarHBondContact ND1-OH 3.36Å; H235-Y237 PolarHBondContact O-N 3.09Å
238I94.8Very high90.8Very high6 Ų676.2 Ų76.23%0.03140%0.396CS..G310 helixtrans-67.9-43.4180-64.5176.3000110.9W23 V69 L70 F213 F231 W232 H235 P236W23-I238 WeakPolarHBondContact CH2-O 3.3Å; V69-I238 HydrophobicContact CG2-CG2 4.23Å; L70-I238 HydrophobicContact CB-CG2 4.18Å; L70-I238 HydrophobicContact CD1-CD1 4.36Å; L70-I238 HydrophobicContact CD1-CG2 4.17Å; F213-I238 HydrophobicContact CB-CD1 3.77Å; F213-I238 HydrophobicContact CD2-CD1 4.09Å; F213-I238 HydrophobicContact CG-CD1 4.12Å; F231-I238 HydrophobicContact CE1-CD1 4.09Å; F231-I238 HydrophobicContact CZ-CD1 3.77Å; W232-I238 HydrophobicContact CZ3-CG2 4.11Å; H235-I238 HydrophobicContact CB-CD1 3.6Å; H235-I238 HydrophobicContact CB-CG1 4.07Å; H235-I238 PolarHBondContact O-N 2.92Å; H235-I238 VanDerWaalsContact O-N 3.13Å; P236-I238 PolarHBondContact O-N 3.08Å
239L92.2Very high90.3Very high23 Ų2371.6 Ų71.612%0.1238%0.38CS..THydrogen-bonded Turntrans-84.6-24.5-176.8-64.8175.1000112.4W23 N137 L140 R141 W232W23-L239 WeakPolarHBondContact CH2-O 3.45Å; W23-L239 HydrophobicContact CZ2-CB 4.46Å; W23-L239 HydrophobicContact CZ2-CD2 4.15Å; W23-L239 WeakPolarHBondContact CZ2-O 3.4Å; N137-L239 HydrophobicContact CB-CB 4.39Å; N137-L239 HydrophobicContact CB-CD1 4.3Å; N137-L239 HydrophobicContact CB-CD2 4.22Å; L140-L239 HydrophobicContact CD2-CD2 3.89Å; R141-L239 HydrophobicContact CG-CD1 4.12Å; R141-L239 HydrophobicContact CG-CD2 4.35Å; W232-L239 HydrophobicContact CD2-CD1 4.12Å; W232-L239 HydrophobicContact CE3-CD1 3.53Å; W232-L239 HydrophobicContact CE3-CD2 4.03Å; W232-L239 HydrophobicContact CE3-CG 3.69Å; W232-L239 HydrophobicContact CH2-CD2 4.47Å; W232-L239 HydrophobicContact CZ3-CD1 4.1Å; W232-L239 HydrophobicContact CZ3-CD2 3.7Å; W232-L239 HydrophobicContact CZ3-CG 3.84Å
240G80.5Confident89.8Confident34 Ų3470.3 Ų70.335%0.35137%0.373SS..  trans60.6-175.8-172.800000112.5N137N137-G240 PolarHBondContact ND2-O 3.13Å
241P73.7Confident89.2Confident121 Ų12165.4 Ų65.479%0.78635%0.354SS*.  trans-63.5147.7172.526.9-31.8000110.7
242E63Low88.4Confident153 Ų15371 Ų7172%0.71539%0.385SS*.  trans-62.50170.5-86.9-74.7-163.100111.7K84 N137K84-E242 IonicContact NZ-OE2 2.77Å; K84-E242 PolarHBondContact NZ-OE2 2.66Å; K84-E242 PolarHBondContact NZ-OXT 3.06Å; K84-E242 VanDerWaalsContact NZ-OXT 3.13Å; N137-E242 HydrophobicContact CB-CG 4.42Å; N137-E242 WeakPolarHBondContact CB-OE1 3.19Å; N137-E242 VanDerWaalsContact CG-CD 3.46Å; N137-E242 PolarHBondContact N-OE1 3.12Å; N137-E242 PolarHBondContact N-OE2 3.08Å

Retrieved 242 of 242 residues in 402.6 ms (Link to these results)

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