A0A096NNP6_PAPAN Loading...

Par-6 family cell polarity regulator beta

AlphaFold DB (A0A0D9RRP5), UniProt , Accession A0A096NNP6, Species PAPAN (Papio anubis, Olive baboon), Gene PARD6B, Length 372 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
1M40Very low37.3Very low225 Ų225151.2 Ų151.2100%1.10885%0.845SS**  0135.90-70.866.8153.500109.1
2N32.4Very low38.2Very low165 Ų165145.3 Ų145.388%0.88284%0.844SS**  -175.9131121.9-95.6-8000110.2
3R40.6Very low38.6Very low218 Ų218141.1 Ų141.182%0.82383%0.826SS**  trans-85.2133.8176.7-67.7177.7178.3175.20.2108.9
4S31.7Very low39.7Very low117 Ų117140.6 Ų140.682%0.81882%0.817SS**  trans-113.1101.1157.9-66.40000108.2R6S4-R6 PolarHBondContact O-N 3.17Å; S4-R6 VanDerWaalsContact O-N 3.17Å
5H42Very low41.8Very low158 Ų158134.4 Ų134.473%0.73180%0.795SS**  trans-64.7112.6166.5-75.6-54.1000108.4
6R36.9Very low44.3Very low239 Ų239131.1 Ų131.190%0.90278%0.777SS**  trans-91.2116156.1-80.6-171.5171.6-174.6-2107.6S4 G8S4-R6 PolarHBondContact O-N 3.17Å; S4-R6 VanDerWaalsContact O-N 3.17Å; R6-G8 PolarHBondContact O-N 3.32Å
7H34Very low46.9Very low182 Ų182123.6 Ų123.684%0.84373%0.732SS**  trans-52.5128.4166.8-75.1-85.7000109.1A9H7-A9 PolarHBondContact O-N 2.91Å
8G33.1Very low49.5Very low82 Ų82120.7 Ų120.785%0.84571%0.71SS**  trans-68.888.1165.200000108.6R6 G10R6-G8 PolarHBondContact O-N 3.32Å; G8-G10 PolarHBondContact O-N 2.83Å
9A35.7Very low51.8Low87 Ų87114.3 Ų114.372%0.71967%0.673SS**  trans-57.7132.7169.300000108.6H7 S11H7-A9 PolarHBondContact O-N 2.91Å; A9-S11 VanDerWaalsContact C-N 3.34Å; A9-S11 PolarHBondContact O-N 3.42Å
10G42.8Very low54Low88 Ų88112.2 Ų112.291%0.90766%0.655SS**  trans-64.491.3178.700000110.9G8G8-G10 PolarHBondContact O-N 2.83Å
11S40.9Very low56Low102 Ų102106.9 Ų106.971%0.71362%0.623SS**  trans-82.4114.2172.3-170.30000108.7A9 C13A9-S11 VanDerWaalsContact C-N 3.34Å; A9-S11 PolarHBondContact O-N 3.42Å; S11-C13 PolarHBondContact O-N 2.82Å
12G48.3Very low58.6Low81 Ų8199.3 Ų99.384%0.83558%0.584SS**  trans-59.2124.6173.600000110.6
13C43.9Very low61.4Low90 Ų9093.3 Ų93.361%0.60855%0.551SS**  trans-141135.8-174.752.70000110.5S11S11-C13 PolarHBondContact O-N 2.82Å
14L53.3Low63.6Low134 Ų13485.7 Ų85.770%0.70254%0.54SS*.  cis-137.7169.4-15.4-89148.8000106T16L14-T16 PolarHBondContact O-N 2.74Å; L14-T16 VanDerWaalsContact O-N 3.1Å
15G71.1Confident66.2Low48 Ų4884.7 Ų84.750%0.49554%0.538SS..SBendtrans-60.4-21.4-177.600000114.9E33 R34G15-E33 WeakPolarHBondContact O-CA 3.1Å; G15-R34 PolarHBondContact O-N 3.05Å
16T81.5Confident68.6Low81 Ų8180.9 Ų80.950%0.49752%0.521SS..EExtended strand (participates in β ladder)trans-111.9145.8177.250.10000111.9L14 L32 E33L14-T16 PolarHBondContact O-N 2.74Å; L14-T16 VanDerWaalsContact O-N 3.1Å; T16-L32 CarbonylContact C-O 3.54Å; T16-L32 WeakPolarHBondContact CA-O 3.33Å; T16-E33 HydrophobicContact CG2-CG 4.19Å
17M89.4Confident71.3Confident4 Ų474.7 Ų74.72%0.0250%0.501CS..EExtended strand (participates in β ladder)trans-121.8144.5177.5176.6-179.668.800109.3V19 S31 L32 R34 V82 A85 L89M17-V19 HydrophobicContact CE-CG2 4.43Å; M17-S31 CarbonylContact O-C 3.59Å; M17-S31 WeakPolarHBondContact O-CA 3.45Å; M17-L32 HydrophobicContact CE-CD2 4.11Å; M17-L32 PolarHBondContact N-O 2.68Å; M17-L32 PolarHBondContact O-N 3.3Å; M17-R34 HydrophobicContact CB-CG 3.75Å; M17-R34 HydrophobicContact SD-CG 4.39Å; M17-V82 HydrophobicContact CE-CB 4.25Å; M17-V82 HydrophobicContact CE-CG1 3.93Å; M17-V82 HydrophobicContact CE-CG2 4.15Å; M17-A85 HydrophobicContact SD-CB 3.68Å; M17-L89 HydrophobicContact CE-CB 3.7Å; M17-L89 HydrophobicContact CE-CD2 3.7Å; M17-L89 HydrophobicContact CE-CG 4.33Å; M17-L89 HydrophobicContact SD-CB 3.99Å
18E92.7Very high74.2Confident71 Ų7168.9 Ų68.933%0.33247%0.472SS..EExtended strand (participates in β ladder)trans-84.6139.3173.8-165.5-178.2-166.900110.8R29 L88 L89E18-R29 IonicContact OE1-CZ 3.09Å; E18-R29 IonicContact OE1-NE 2.68Å; E18-R29 PolarHBondContact OE1-NE 2.79Å; E18-R29 IonicContact OE1-NH2 2.82Å; E18-R29 PolarHBondContact OE1-NH2 3.1Å; E18-R29 IonicContact OE2-CZ 3.73Å; E18-R29 IonicContact OE2-NE 3.93Å; E18-R29 IonicContact OE2-NH2 2.74Å; E18-R29 PolarHBondContact OE2-NH2 3.47Å; E18-L88 HydrophobicContact CB-CD1 3.74Å; E18-L88 HydrophobicContact CG-CD1 3.67Å; E18-L88 WeakPolarHBondContact O-CA 3.42Å; E18-L89 PolarHBondContact O-N 3.13Å
19V94.9Very high77.1Confident0 Ų072.1 Ų72.10%046%0.458CS..EExtended strand (participates in β ladder)trans-114.8127.3173.4-171.80000108.7M17 R29 F30 L32 L89 I91M17-V19 HydrophobicContact CE-CG2 4.43Å; V19-R29 VanDerWaalsContact O-CA 3.24Å; V19-R29 WeakPolarHBondContact O-CA 3.36Å; V19-F30 HydrophobicContact CB-CD1 4.36Å; V19-F30 HydrophobicContact CB-CD2 4.12Å; V19-F30 HydrophobicContact CB-CE1 4.11Å; V19-F30 HydrophobicContact CB-CE2 3.85Å; V19-F30 HydrophobicContact CB-CG 4.37Å; V19-F30 HydrophobicContact CB-CZ 3.85Å; V19-F30 HydrophobicContact CG1-CE1 3.91Å; V19-F30 HydrophobicContact CG1-CE2 4.13Å; V19-F30 HydrophobicContact CG1-CZ 3.65Å; V19-F30 HydrophobicContact CG2-CD2 4.22Å; V19-F30 HydrophobicContact CG2-CE2 3.84Å; V19-F30 HydrophobicContact CG2-CZ 4.23Å; V19-F30 PolarHBondContact N-O 3.27Å; V19-F30 PolarHBondContact O-N 3.25Å; V19-F30 VanDerWaalsContact O-N 3.08Å; V19-L32 HydrophobicContact CG2-CB 3.83Å; V19-L32 HydrophobicContact CG2-CD2 4.37Å; V19-L89 CarbonylContact C-O 3.57Å; V19-L89 WeakPolarHBondContact CA-O 3.49Å; V19-L89 HydrophobicContact CG1-CB 4.48Å; V19-L89 HydrophobicContact CG1-CD2 4.46Å; V19-L89 HydrophobicContact CG1-CG 4.39Å; V19-L89 HydrophobicContact CG2-CB 4.33Å; V19-L89 HydrophobicContact CG2-CD2 4.32Å; V19-I91 HydrophobicContact CG1-CG1 3.85Å
20K95.3Very high79.9Confident72 Ų7269.7 Ų69.731%0.31343%0.431SS..EExtended strand (participates in β ladder)trans-112.5107168.8176.8177.6179.1179.40108.5F27 R29 L88 L89 R90 I91K20-F27 HydrophobicContact CD-CD1 4.46Å; K20-F27 HydrophobicContact CG-CD1 4.34Å; K20-R29 HydrophobicContact CB-CG 4.13Å; K20-R29 HydrophobicContact CG-CG 4.14Å; K20-L88 HydrophobicContact CB-CD1 3.88Å; K20-L88 HydrophobicContact CB-CD2 4.06Å; K20-L88 HydrophobicContact CB-CG 4.23Å; K20-L88 HydrophobicContact CD-CD2 4.4Å; K20-L89 PolarHBondContact N-O 3.29Å; K20-R90 WeakPolarHBondContact O-CA 3.45Å; K20-I91 PolarHBondContact O-N 3.01Å
21S95.8Very high82.1Confident0 Ų069.7 Ų69.70%042%0.418CS..EExtended strand (participates in β ladder)trans-104.2132.6-178.7-175.30000111.6F27 R28 H51 I91 I93S21-F27 CarbonylContact O-C 3.51Å; S21-F27 WeakPolarHBondContact O-CA 3.24Å; S21-R28 PolarHBondContact N-O 3.35Å; S21-R28 PolarHBondContact O-N 2.8Å; S21-H51 WeakPolarHBondContact CB-NE2 3.36Å; S21-H51 PolarHBondContact OG-NE2 2.89Å; S21-I91 CarbonylContact C-O 3.57Å; S21-I91 WeakPolarHBondContact CA-O 3.17Å; S21-I93 WeakPolarHBondContact OG-CD1 3.34Å
22K94.6Very high84.5Confident66 Ų6665.9 Ų65.929%0.28739%0.389SS..EExtended strand (participates in β ladder)trans-113.9130.7-179.9-171.4-168.7-174.4-157.20110.7G24 E26 F27 I91 F92 I93K22-G24 WeakPolarHBondContact CE-O 3.24Å; K22-G24 PolarHBondContact NZ-O 3.26Å; K22-E26 CarbonylContact C-O 3.59Å; K22-E26 VanDerWaalsContact CA-O 3.3Å; K22-E26 WeakPolarHBondContact CA-O 3.4Å; K22-E26 WeakPolarHBondContact CG-O 3.35Å; K22-F27 HydrophobicContact CB-CD1 3.73Å; K22-F27 HydrophobicContact CB-CE1 3.68Å; K22-F27 HydrophobicContact CB-CZ 4.49Å; K22-F27 HydrophobicContact CD-CD1 4.38Å; K22-F27 HydrophobicContact CD-CE1 3.57Å; K22-F27 HydrophobicContact CD-CE2 4.42Å; K22-F27 HydrophobicContact CD-CZ 3.6Å; K22-F27 HydrophobicContact CG-CD1 3.75Å; K22-F27 HydrophobicContact CG-CE1 3.45Å; K22-F27 VanDerWaalsContact CG-CE1 3.45Å; K22-F27 HydrophobicContact CG-CE2 4.32Å; K22-F27 HydrophobicContact CG-CG 4.34Å; K22-F27 HydrophobicContact CG-CZ 3.77Å; K22-I91 PolarHBondContact N-O 2.76Å; K22-F92 HydrophobicContact CB-CD1 4.31Å; K22-F92 HydrophobicContact CD-CD1 4.02Å; K22-F92 HydrophobicContact CD-CE1 4.06Å; K22-I93 PolarHBondContact O-N 2.71Å
23F91.6Very high86.4Confident40 Ų4067.1 Ų67.118%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-131.1118.8170.6179.1-116.7000109.4A25 E26 I53 V58 I93 K95F23-A25 PolarHBondContact O-N 3.3Å; F23-E26 PolarHBondContact N-O 3.5Å; F23-E26 WeakPolarHBondContact O-CA 3.41Å; F23-E26 WeakPolarHBondContact O-CB 3.27Å; F23-E26 PolarHBondContact O-N 3.09Å; F23-I53 HydrophobicContact CD1-CD1 4.14Å; F23-I53 HydrophobicContact CD1-CG2 4.31Å; F23-I53 HydrophobicContact CD2-CD1 4.08Å; F23-I53 HydrophobicContact CE1-CD1 4.02Å; F23-I53 HydrophobicContact CE1-CG2 3.7Å; F23-I53 HydrophobicContact CE2-CD1 3.95Å; F23-I53 HydrophobicContact CG-CD1 4.17Å; F23-I53 HydrophobicContact CZ-CD1 3.91Å; F23-I53 HydrophobicContact CZ-CG2 4.16Å; F23-V58 HydrophobicContact CE2-CG1 4.35Å; F23-I93 HydrophobicContact CB-CB 4.19Å; F23-I93 HydrophobicContact CD2-CB 3.84Å; F23-I93 HydrophobicContact CD2-CG2 3.61Å; F23-I93 HydrophobicContact CE2-CG2 4.16Å; F23-I93 HydrophobicContact CG-CB 4.46Å; F23-I93 HydrophobicContact CG-CG2 4.48Å; F23-K95 HydrophobicContact CE2-CG 4.06Å; F23-K95 HydrophobicContact CZ-CG 4.07Å
24G86.6Confident88.3Confident58 Ų5866.2 Ų66.260%0.59836%0.357SS*.THydrogen-bonded Turntrans57.7-112.2-173.300000112.7K22K22-G24 WeakPolarHBondContact CE-O 3.24Å; K22-G24 PolarHBondContact NZ-O 3.26Å
25A86.9Confident89.8Confident95 Ų9564 Ų6479%0.78535%0.353SS*.THydrogen-bonded Turntrans-97.6-12.1172.500000113.7F23F23-A25 PolarHBondContact O-N 3.3Å
26E91.1Very high90.3Very high79 Ų7969.9 Ų69.937%0.36937%0.365SS..EExtended strand (participates in β ladder)trans-82.4147.7-175.2-175.3168.3-167.300112.2K22 F23 R28K22-E26 CarbonylContact C-O 3.59Å; K22-E26 VanDerWaalsContact CA-O 3.3Å; K22-E26 WeakPolarHBondContact CA-O 3.4Å; K22-E26 WeakPolarHBondContact CG-O 3.35Å; F23-E26 PolarHBondContact N-O 3.5Å; F23-E26 WeakPolarHBondContact O-CA 3.41Å; F23-E26 WeakPolarHBondContact O-CB 3.27Å; F23-E26 PolarHBondContact O-N 3.09Å; E26-R28 HydrophobicContact CG-CG 4.45Å; E26-R28 IonicContact OE1-CZ 3.13Å; E26-R28 IonicContact OE1-NE 2.67Å; E26-R28 PolarHBondContact OE1-NE 3.24Å; E26-R28 IonicContact OE1-NH2 2.66Å; E26-R28 PolarHBondContact OE1-NH2 2.73Å; E26-R28 IonicContact OE2-NH2 2.97Å; E26-R28 PolarHBondContact OE2-NH2 2.87Å
27F93.5Very high90.3Very high108 Ų10867 Ų6747%0.47435%0.348SS..EExtended strand (participates in β ladder)trans-130.4132172-66.7-90.4000110.5K20 S21 K22K20-F27 HydrophobicContact CD-CD1 4.46Å; K20-F27 HydrophobicContact CG-CD1 4.34Å; S21-F27 CarbonylContact O-C 3.51Å; S21-F27 WeakPolarHBondContact O-CA 3.24Å; K22-F27 HydrophobicContact CB-CD1 3.73Å; K22-F27 HydrophobicContact CB-CE1 3.68Å; K22-F27 HydrophobicContact CB-CZ 4.49Å; K22-F27 HydrophobicContact CD-CD1 4.38Å; K22-F27 HydrophobicContact CD-CE1 3.57Å; K22-F27 HydrophobicContact CD-CE2 4.42Å; K22-F27 HydrophobicContact CD-CZ 3.6Å; K22-F27 HydrophobicContact CG-CD1 3.75Å; K22-F27 HydrophobicContact CG-CE1 3.45Å; K22-F27 VanDerWaalsContact CG-CE1 3.45Å; K22-F27 HydrophobicContact CG-CE2 4.32Å; K22-F27 HydrophobicContact CG-CG 4.34Å; K22-F27 HydrophobicContact CG-CZ 3.77Å
28R94.9Very high90.2Very high61 Ų6168.3 Ų68.323%0.2336%0.361CS..EExtended strand (participates in β ladder)trans-124.1146.3170.9-64.4-170.9-176.1-170.619.2110.3S21 E26 V50S21-R28 PolarHBondContact N-O 3.35Å; S21-R28 PolarHBondContact O-N 2.8Å; E26-R28 HydrophobicContact CG-CG 4.45Å; E26-R28 IonicContact OE1-CZ 3.13Å; E26-R28 IonicContact OE1-NE 2.67Å; E26-R28 PolarHBondContact OE1-NE 3.24Å; E26-R28 IonicContact OE1-NH2 2.66Å; E26-R28 PolarHBondContact OE1-NH2 2.73Å; E26-R28 IonicContact OE2-NH2 2.97Å; E26-R28 PolarHBondContact OE2-NH2 2.87Å; R28-V50 HydrophobicContact CB-CG1 3.87Å; R28-V50 WeakPolarHBondContact CD-O 3.37Å; R28-V50 HydrophobicContact CG-CG1 4.48Å; R28-V50 PolarHBondContact NE-O 2.87Å; R28-V50 PolarHBondContact NH1-O 3.08Å
29R94Very high90.2Very high150 Ų15070.8 Ų70.857%0.56637%0.371SS*.EExtended strand (participates in β ladder)trans-124.7136.5179.7-65.6172.680.6155.41.9109.5E18 V19 K20E18-R29 IonicContact OE1-CZ 3.09Å; E18-R29 IonicContact OE1-NE 2.68Å; E18-R29 PolarHBondContact OE1-NE 2.79Å; E18-R29 IonicContact OE1-NH2 2.82Å; E18-R29 PolarHBondContact OE1-NH2 3.1Å; E18-R29 IonicContact OE2-CZ 3.73Å; E18-R29 IonicContact OE2-NE 3.93Å; E18-R29 IonicContact OE2-NH2 2.74Å; E18-R29 PolarHBondContact OE2-NH2 3.47Å; V19-R29 VanDerWaalsContact O-CA 3.24Å; V19-R29 WeakPolarHBondContact O-CA 3.36Å; K20-R29 HydrophobicContact CB-CG 4.13Å; K20-R29 HydrophobicContact CG-CG 4.14Å
30F93.9Very high90.1Very high35 Ų3572.1 Ų72.115%0.15438%0.377CS..EExtended strand (participates in β ladder)trans-151.1170176.860.9-89000109.8V19 F43 L46 L47 V50V19-F30 HydrophobicContact CB-CD1 4.36Å; V19-F30 HydrophobicContact CB-CD2 4.12Å; V19-F30 HydrophobicContact CB-CE1 4.11Å; V19-F30 HydrophobicContact CB-CE2 3.85Å; V19-F30 HydrophobicContact CB-CG 4.37Å; V19-F30 HydrophobicContact CB-CZ 3.85Å; V19-F30 HydrophobicContact CG1-CE1 3.91Å; V19-F30 HydrophobicContact CG1-CE2 4.13Å; V19-F30 HydrophobicContact CG1-CZ 3.65Å; V19-F30 HydrophobicContact CG2-CD2 4.22Å; V19-F30 HydrophobicContact CG2-CE2 3.84Å; V19-F30 HydrophobicContact CG2-CZ 4.23Å; V19-F30 PolarHBondContact N-O 3.27Å; V19-F30 PolarHBondContact O-N 3.25Å; V19-F30 VanDerWaalsContact O-N 3.08Å; F30-F43 HydrophobicContact CE2-CE2 4.13Å; F30-F43 AromaticContact CZ-CE2 3.98Å; F30-F43 HydrophobicContact CZ-CE2 3.98Å; F30-L46 HydrophobicContact CD2-CD2 4.39Å; F30-L46 HydrophobicContact CE2-CD2 3.82Å; F30-L46 HydrophobicContact CZ-CD2 4.37Å; F30-L47 HydrophobicContact CE1-CD2 3.98Å; F30-L47 HydrophobicContact CZ-CD2 3.84Å; F30-V50 HydrophobicContact CD1-CG1 4.07Å; F30-V50 HydrophobicContact CD1-CG2 4.41Å; F30-V50 HydrophobicContact CE1-CG1 4.19Å
31S90.8Very high89.9Confident89 Ų8975 Ų7562%0.62239%0.392SS*.EExtended strand (participates in β ladder)trans-107.6146.2178.3-58.10000110.8M17M17-S31 CarbonylContact O-C 3.59Å; M17-S31 WeakPolarHBondContact O-CA 3.45Å
32L90.3Very high89.7Confident22 Ų2281 Ų8112%0.11542%0.42CS..EExtended strand (participates in β ladder)trans-132.1141.6179.3179.767.1000109.6T16 M17 V19 F43 Y78 V82T16-L32 CarbonylContact C-O 3.54Å; T16-L32 WeakPolarHBondContact CA-O 3.33Å; M17-L32 HydrophobicContact CE-CD2 4.11Å; M17-L32 PolarHBondContact N-O 2.68Å; M17-L32 PolarHBondContact O-N 3.3Å; V19-L32 HydrophobicContact CG2-CB 3.83Å; V19-L32 HydrophobicContact CG2-CD2 4.37Å; L32-F43 HydrophobicContact CD2-CD2 4.37Å; L32-F43 HydrophobicContact CD2-CE2 4.12Å; L32-Y78 HydrophobicContact CD2-CE2 4.48Å; L32-Y78 WeakPolarHBondContact CD2-OH 3.46Å; L32-V82 HydrophobicContact CD2-CG2 3.99Å
33E88.1Confident89.6Confident106 Ų10678 Ų7850%0.49541%0.407SS..EExtended strand (participates in β ladder)trans-76.8130.2174.6-71.1-169.9-172.300111.8G15 T16G15-E33 WeakPolarHBondContact O-CA 3.1Å; T16-E33 HydrophobicContact CG2-CG 4.19Å
34R85.1Confident89.7Confident72 Ų7277.6 Ų77.627%0.27240%0.404SS..SBendtrans-77.8-25.5174.2-73.7-175.2173149.7-3.6112.9G15 M17 V82 A85G15-R34 PolarHBondContact O-N 3.05Å; M17-R34 HydrophobicContact CB-CG 3.75Å; M17-R34 HydrophobicContact SD-CG 4.39Å; R34-V82 HydrophobicContact CG-CG1 4.23Å; R34-A85 PolarHBondContact NH2-O 2.59Å
35S82.9Confident90Very high87 Ų8776.3 Ų76.361%0.60839%0.391SS*.SBendtrans-70.2-30.8-177.8320000113.6
36K82.9Confident90.2Very high171 Ų17175 Ų7574%0.74337%0.371SS*.  trans-148.575.7-178.1-66.5-175.4-178.5176.50109.7G38K36-G38 PolarHBondContact O-N 3.26Å
37P80.7Confident90.4Very high22 Ų2271.3 Ų71.314%0.14335%0.354CS..  trans-70.6-11.3-174.528.5-35.4000114.4Y78 V82P37-Y78 HydrophobicContact CB-CE1 3.9Å; P37-Y78 VanDerWaalsContact O-CE1 3.29Å; P37-Y78 WeakPolarHBondContact O-CE1 3.44Å; P37-Y78 PolarHBondContact O-OH 3.45Å; P37-V82 HydrophobicContact CB-CG1 4.18Å; P37-V82 HydrophobicContact CB-CG2 4.15Å
38G88.3Confident90.3Very high30 Ų3067.8 Ų67.831%0.30934%0.339SS..  trans80-163.1-177.700000113K36 E42K36-G38 PolarHBondContact O-N 3.26Å; G38-E42 VanDerWaalsContact CA-OE2 3.3Å; G38-E42 WeakPolarHBondContact CA-OE2 3.15Å
39K92.1Very high90.2Very high124 Ų12472.1 Ų72.154%0.53936%0.361SS..  trans-92.1159.5173.4-69.2-171.8177.1-175.10112E41 E42 F43K39-E41 VanDerWaalsContact C-N 3.26Å; K39-E41 PolarHBondContact O-N 3.06Å; K39-E42 HydrophobicContact CB-CG 4.41Å; K39-E42 PolarHBondContact N-OE2 3.42Å; K39-E42 PolarHBondContact O-N 2.81Å; K39-F43 PolarHBondContact O-N 3.17Å
40F91.9Very high90.2Very high27 Ų2766.4 Ų66.412%0.11834%0.343CS..Hα-helixtrans-56.9-39.9174.2171.1-115.3000112E42 F43 Y44 I72 D75 Y78F40-E42 VanDerWaalsContact C-N 3.34Å; F40-E42 PolarHBondContact O-N 3.21Å; F40-F43 CarbonylContact O-C 3.56Å; F40-F43 PolarHBondContact O-N 2.88Å; F40-Y44 HydrophobicContact CE2-CD2 4.45Å; F40-Y44 AromaticContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CG 4.42Å; F40-Y44 VanDerWaalsContact O-CB 3.31Å; F40-Y44 WeakPolarHBondContact O-CB 3.25Å; F40-Y44 PolarHBondContact O-N 2.97Å; F40-I72 HydrophobicContact CD2-CB 4.42Å; F40-I72 HydrophobicContact CD2-CG2 3.39Å; F40-I72 HydrophobicContact CE2-CB 3.99Å; F40-I72 HydrophobicContact CE2-CG2 3.43Å; F40-I72 VanDerWaalsContact CE2-CG2 3.43Å; F40-I72 WeakPolarHBondContact CE2-O 3.4Å; F40-I72 HydrophobicContact CG-CG2 4.37Å; F40-I72 HydrophobicContact CZ-CG2 4.44Å; F40-I72 VanDerWaalsContact CZ-O 3.29Å; F40-I72 WeakPolarHBondContact CZ-O 3.45Å; F40-D75 WeakPolarHBondContact CB-OD1 3.34Å; F40-D75 PolarHBondContact N-OD1 2.83Å; F40-Y78 HydrophobicContact CB-CG 4.45Å
41E91.6Very high90.1Very high134 Ų13465 Ų6563%0.62634%0.336SS*.Hα-helixtrans-60.4-41.5-180-167.360.7-152.300112.5K39 Y44 G45K39-E41 VanDerWaalsContact C-N 3.26Å; K39-E41 PolarHBondContact O-N 3.06Å; E41-Y44 PolarHBondContact O-N 3.07Å; E41-G45 PolarHBondContact O-N 2.69Å
42E92.4Very high90.2Very high125 Ų12568.4 Ų68.458%0.58434%0.34SS*.Hα-helixtrans-65.9-41.9177.2-61.8167.8163.900110.7G38 K39 F40 L46G38-E42 VanDerWaalsContact CA-OE2 3.3Å; G38-E42 WeakPolarHBondContact CA-OE2 3.15Å; K39-E42 HydrophobicContact CB-CG 4.41Å; K39-E42 PolarHBondContact N-OE2 3.42Å; K39-E42 PolarHBondContact O-N 2.81Å; F40-E42 VanDerWaalsContact C-N 3.34Å; F40-E42 PolarHBondContact O-N 3.21Å; E42-L46 WeakPolarHBondContact O-CB 3.41Å; E42-L46 PolarHBondContact O-N 2.97Å
43F93.1Very high90.1Very high4 Ų468.4 Ų68.42%0.01834%0.34CS..Hα-helixtrans-68.1-37.1175.8-176.6-109.4000112.6F30 L32 K39 F40 L46 L47 I72 Y78 L89 I91F30-F43 HydrophobicContact CE2-CE2 4.13Å; F30-F43 AromaticContact CZ-CE2 3.98Å; F30-F43 HydrophobicContact CZ-CE2 3.98Å; L32-F43 HydrophobicContact CD2-CD2 4.37Å; L32-F43 HydrophobicContact CD2-CE2 4.12Å; K39-F43 PolarHBondContact O-N 3.17Å; F40-F43 CarbonylContact O-C 3.56Å; F40-F43 PolarHBondContact O-N 2.88Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 3.42Å; F43-L47 HydrophobicContact CD1-CD1 4Å; F43-L47 HydrophobicContact CD1-CG 4.36Å; F43-L47 HydrophobicContact CE1-CD1 3.59Å; F43-L47 HydrophobicContact CE1-CG 4.07Å; F43-L47 HydrophobicContact CZ-CD1 4.1Å; F43-L47 HydrophobicContact CZ-CD2 4.18Å; F43-L47 HydrophobicContact CZ-CG 4.18Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 2.97Å; F43-I72 HydrophobicContact CE1-CD1 4.41Å; F43-Y78 HydrophobicContact CB-CD2 4.33Å; F43-Y78 HydrophobicContact CB-CE1 4.22Å; F43-Y78 HydrophobicContact CB-CE2 3.69Å; F43-Y78 AromaticContact CD1-CD2 3.72Å; F43-Y78 HydrophobicContact CD1-CD2 3.72Å; F43-Y78 AromaticContact CD1-CE2 3.4Å; F43-Y78 HydrophobicContact CD1-CE2 3.4Å; F43-Y78 VanDerWaalsContact CD1-CE2 3.4Å; F43-Y78 AromaticContact CD2-CE2 3.64Å; F43-Y78 HydrophobicContact CD2-CE2 3.64Å; F43-Y78 AromaticContact CD2-CZ 3.91Å; F43-Y78 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y78 HydrophobicContact CE1-CD2 4.15Å; F43-Y78 AromaticContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE2-CE2 4.07Å; F43-Y78 HydrophobicContact CG-CD2 4.02Å; F43-Y78 AromaticContact CG-CE2 3.28Å; F43-Y78 HydrophobicContact CG-CE2 3.28Å; F43-Y78 AromaticContact CG-CZ 3.66Å; F43-Y78 HydrophobicContact CZ-CE2 4.15Å; F43-L89 HydrophobicContact CZ-CD2 4.42Å; F43-I91 HydrophobicContact CE1-CD1 4.37Å; F43-I91 HydrophobicContact CZ-CD1 4.36Å; F43-I91 HydrophobicContact CZ-CG1 4.14Å
44Y92.7Very high89.8Confident30 Ų3067.5 Ų67.512%0.11834%0.343CS..Hα-helixtrans-64.7-48.3176.2-178.3-94.7000111F40 E41 L46 L47 Q48 V58 V60F40-Y44 HydrophobicContact CE2-CD2 4.45Å; F40-Y44 AromaticContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CG 4.42Å; F40-Y44 VanDerWaalsContact O-CB 3.31Å; F40-Y44 WeakPolarHBondContact O-CB 3.25Å; F40-Y44 PolarHBondContact O-N 2.97Å; E41-Y44 PolarHBondContact O-N 3.07Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 2.85Å; Y44-L47 PolarHBondContact O-N 2.84Å; Y44-L47 VanDerWaalsContact O-N 3.15Å; Y44-Q48 VanDerWaalsContact CE1-CD 3.49Å; Y44-Q48 HydrophobicContact CE1-CG 4.2Å; Y44-Q48 VanDerWaalsContact CE1-NE2 3.34Å; Y44-Q48 PolarHBondContact O-N 3.06Å; Y44-Q48 PolarHBondContact OH-NE2 2.85Å; Y44-V58 HydrophobicContact CD2-CG2 4.49Å; Y44-V58 HydrophobicContact CE2-CG2 3.56Å; Y44-V58 WeakPolarHBondContact CE2-O 3.17Å; Y44-V58 PolarHBondContact OH-N 3.06Å; Y44-V58 VanDerWaalsContact OH-N 3.1Å; Y44-V60 HydrophobicContact CD2-CG2 3.86Å; Y44-V60 HydrophobicContact CE2-CG2 4.08Å
45G92.1Very high89.5Confident32 Ų3271.8 Ų71.833%0.3337%0.372SS..Hα-helixtrans-60.1-40172.300000112.7E41 Q48 H49E41-G45 PolarHBondContact O-N 2.69Å; G45-Q48 PolarHBondContact O-N 2.84Å; G45-H49 WeakPolarHBondContact O-CB 3.46Å; G45-H49 PolarHBondContact O-N 2.87Å
46L92.8Very high89.6Confident68 Ų6869.8 Ų69.836%0.35636%0.356SS..Hα-helixtrans-61.1-43.6172.8178.664.5000111.7F30 E42 F43 Y44 H49 V50F30-L46 HydrophobicContact CD2-CD2 4.39Å; F30-L46 HydrophobicContact CE2-CD2 3.82Å; F30-L46 HydrophobicContact CZ-CD2 4.37Å; E42-L46 WeakPolarHBondContact O-CB 3.41Å; E42-L46 PolarHBondContact O-N 2.97Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 3.42Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 2.85Å; L46-H49 PolarHBondContact O-N 2.85Å; L46-V50 HydrophobicContact CD1-CG2 3.83Å; L46-V50 HydrophobicContact CG-CG2 4.15Å; L46-V50 WeakPolarHBondContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.46Å
47L93.6Very high89.7Confident1 Ų165.9 Ų65.91%0.00534%0.343CS..Hα-helixtrans-63.7-43.1176.9-73.6179.5000112.2F30 F43 Y44 V50 H51 V60 I91 I93F30-L47 HydrophobicContact CE1-CD2 3.98Å; F30-L47 HydrophobicContact CZ-CD2 3.84Å; F43-L47 HydrophobicContact CD1-CD1 4Å; F43-L47 HydrophobicContact CD1-CG 4.36Å; F43-L47 HydrophobicContact CE1-CD1 3.59Å; F43-L47 HydrophobicContact CE1-CG 4.07Å; F43-L47 HydrophobicContact CZ-CD1 4.1Å; F43-L47 HydrophobicContact CZ-CD2 4.18Å; F43-L47 HydrophobicContact CZ-CG 4.18Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 2.97Å; Y44-L47 PolarHBondContact O-N 2.84Å; Y44-L47 VanDerWaalsContact O-N 3.15Å; L47-V50 PolarHBondContact O-N 2.69Å; L47-H51 PolarHBondContact O-CD2 3.3Å; L47-H51 PolarHBondContact O-N 2.93Å; L47-V60 HydrophobicContact CD1-CG1 3.68Å; L47-V60 HydrophobicContact CD1-CG2 3.96Å; L47-I91 HydrophobicContact CD1-CG2 4Å; L47-I91 HydrophobicContact CD2-CG2 4.41Å; L47-I93 HydrophobicContact CB-CD1 4Å; L47-I93 HydrophobicContact CD1-CD1 4.2Å; L47-I93 HydrophobicContact CD2-CD1 4.24Å; L47-I93 HydrophobicContact CG-CD1 4.39Å
48Q92.1Very high90.1Very high34 Ų3465.5 Ų65.516%0.15934%0.34CS..Hα-helixtrans-62.7-45.5176-74.2-177.8-33.800111.8Y44 G45 H51 K52 I53 V56 V58Y44-Q48 VanDerWaalsContact CE1-CD 3.49Å; Y44-Q48 HydrophobicContact CE1-CG 4.2Å; Y44-Q48 VanDerWaalsContact CE1-NE2 3.34Å; Y44-Q48 PolarHBondContact O-N 3.06Å; Y44-Q48 PolarHBondContact OH-NE2 2.85Å; G45-Q48 PolarHBondContact O-N 2.84Å; Q48-H51 PolarHBondContact O-N 2.69Å; Q48-K52 PolarHBondContact O-N 3.22Å; Q48-I53 HydrophobicContact CB-CG1 4.47Å; Q48-I53 PolarHBondContact O-N 3.47Å; Q48-V56 PolarHBondContact NE2-O 2.99Å; Q48-V58 HydrophobicContact CG-CG2 4.5Å
49H92.6Very high90.1Very high152 Ų15265.2 Ų65.270%0.70433%0.331SS*.Hα-helixtrans-62.5-49175.3-176.987.6000111.3G45 L46 H51 K52G45-H49 WeakPolarHBondContact O-CB 3.46Å; G45-H49 PolarHBondContact O-N 2.87Å; L46-H49 PolarHBondContact O-N 2.85Å; H49-H51 VanDerWaalsContact C-N 3.28Å; H49-H51 PolarHBondContact O-N 2.59Å; H49-K52 PolarHBondContact O-N 3.33Å
50V93.8Very high90.1Very high29 Ų2959.4 Ų59.418%0.17631%0.306CS..Hα-helixtrans-58.7-37.7179.7163.80000111.2R28 F30 L46 L47R28-V50 HydrophobicContact CB-CG1 3.87Å; R28-V50 WeakPolarHBondContact CD-O 3.37Å; R28-V50 HydrophobicContact CG-CG1 4.48Å; R28-V50 PolarHBondContact NE-O 2.87Å; R28-V50 PolarHBondContact NH1-O 3.08Å; F30-V50 HydrophobicContact CD1-CG1 4.07Å; F30-V50 HydrophobicContact CD1-CG2 4.41Å; F30-V50 HydrophobicContact CE1-CG1 4.19Å; L46-V50 HydrophobicContact CD1-CG2 3.83Å; L46-V50 HydrophobicContact CG-CG2 4.15Å; L46-V50 WeakPolarHBondContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.46Å; L47-V50 PolarHBondContact O-N 2.69Å
51H92.9Very high90.1Very high5 Ų558.1 Ų58.12%0.02330%0.301CS..Hα-helixtrans-90.4-0.1176.8-75.2-80.5000115S21 L47 Q48 H49 I53 I93S21-H51 WeakPolarHBondContact CB-NE2 3.36Å; S21-H51 PolarHBondContact OG-NE2 2.89Å; L47-H51 PolarHBondContact O-CD2 3.3Å; L47-H51 PolarHBondContact O-N 2.93Å; Q48-H51 PolarHBondContact O-N 2.69Å; H49-H51 VanDerWaalsContact C-N 3.28Å; H49-H51 PolarHBondContact O-N 2.59Å; H51-I53 VanDerWaalsContact C-N 3.33Å; H51-I53 HydrophobicContact CB-CD1 3.93Å; H51-I53 HydrophobicContact CB-CG1 3.91Å; H51-I93 WeakPolarHBondContact CD2-CD1 3.49Å
52K91.4Very high90.1Very high162 Ų16252.1 Ų52.170%0.70427%0.273SS*.THydrogen-bonded Turntrans58.839.6-174.5-55.9178.1179.1-176.30113.4Q48 H49 P54Q48-K52 PolarHBondContact O-N 3.22Å; H49-K52 PolarHBondContact O-N 3.33Å; K52-P54 VanDerWaalsContact O-CD 3.32Å; K52-P54 WeakPolarHBondContact O-CD 3.5Å
53I88.9Confident90.1Very high22 Ų2246.8 Ų46.811%0.11325%0.249CC..  trans-118.956.3178.156.2-179.6000112.2F23 Q48 H51 V56 V58 I93F23-I53 HydrophobicContact CD1-CD1 4.14Å; F23-I53 HydrophobicContact CD1-CG2 4.31Å; F23-I53 HydrophobicContact CD2-CD1 4.08Å; F23-I53 HydrophobicContact CE1-CD1 4.02Å; F23-I53 HydrophobicContact CE1-CG2 3.7Å; F23-I53 HydrophobicContact CE2-CD1 3.95Å; F23-I53 HydrophobicContact CG-CD1 4.17Å; F23-I53 HydrophobicContact CZ-CD1 3.91Å; F23-I53 HydrophobicContact CZ-CG2 4.16Å; Q48-I53 HydrophobicContact CB-CG1 4.47Å; Q48-I53 PolarHBondContact O-N 3.47Å; H51-I53 VanDerWaalsContact C-N 3.33Å; H51-I53 HydrophobicContact CB-CD1 3.93Å; H51-I53 HydrophobicContact CB-CG1 3.91Å; I53-V56 HydrophobicContact CB-CB 4.44Å; I53-V56 HydrophobicContact CB-CG2 4.26Å; I53-V58 HydrophobicContact CD1-CG1 3.96Å; I53-I93 HydrophobicContact CD1-CG2 4.41Å
54P81.5Confident89.9Confident87 Ų8747.8 Ų47.857%0.56526%0.255SS*.THydrogen-bonded Turntrans-61.2144174.130.1-35.1000110.1K52 V56K52-P54 VanDerWaalsContact O-CD 3.32Å; K52-P54 WeakPolarHBondContact O-CD 3.5Å; P54-V56 VanDerWaalsContact C-N 3.26Å; P54-V56 PolarHBondContact O-N 2.68Å
55N80Confident89.5Confident162 Ų16251.6 Ų51.687%0.86628%0.276SS*.THydrogen-bonded Turntrans64.818.5176.1-45-30.2000115.7
56V84.8Confident89Confident44 Ų4456.9 Ų56.927%0.26729%0.292SS..  trans-101.5121.9170.1-175.90000109.7Q48 I53 P54 V58 K95Q48-V56 PolarHBondContact NE2-O 2.99Å; I53-V56 HydrophobicContact CB-CB 4.44Å; I53-V56 HydrophobicContact CB-CG2 4.26Å; P54-V56 VanDerWaalsContact C-N 3.26Å; P54-V56 PolarHBondContact O-N 2.68Å; V56-V58 HydrophobicContact CB-CG1 4.33Å; V56-V58 HydrophobicContact CG1-CG1 3.88Å; V56-V58 PolarHBondContact O-N 3.47Å; V56-V58 VanDerWaalsContact O-N 3.15Å; V56-K95 HydrophobicContact CG1-CD 4.28Å; V56-K95 HydrophobicContact CG1-CG 4.09Å
57D83.8Confident88.3Confident90 Ų9054.7 Ų54.748%0.48129%0.286SS..  trans-62.9110.2168.1-104.425.9000109.2K96D57-K96 HydrophobicContact CB-CB 3.93Å; D57-K96 HydrophobicContact CB-CD 3.77Å; D57-K96 WeakPolarHBondContact O-CB 3.36Å; D57-K96 PolarHBondContact O-N 3.3Å; D57-K96 WeakPolarHBondContact OD2-CD 2.99Å; D57-K96 WeakPolarHBondContact OD2-CE 3.47Å; D57-K96 IonicContact OD2-NZ 2.71Å; D57-K96 PolarHBondContact OD2-NZ 3.4Å
58V89.7Confident87.9Confident14 Ų1455.8 Ų55.89%0.08529%0.292CS..EExtended strand (participates in β ladder)trans-120145.9179.4-64.30000111.7F23 Y44 Q48 I53 V56 V60 I93 Q94F23-V58 HydrophobicContact CE2-CG1 4.35Å; Y44-V58 HydrophobicContact CD2-CG2 4.49Å; Y44-V58 HydrophobicContact CE2-CG2 3.56Å; Y44-V58 WeakPolarHBondContact CE2-O 3.17Å; Y44-V58 PolarHBondContact OH-N 3.06Å; Y44-V58 VanDerWaalsContact OH-N 3.1Å; Q48-V58 HydrophobicContact CG-CG2 4.5Å; I53-V58 HydrophobicContact CD1-CG1 3.96Å; V56-V58 HydrophobicContact CB-CG1 4.33Å; V56-V58 HydrophobicContact CG1-CG1 3.88Å; V56-V58 PolarHBondContact O-N 3.47Å; V56-V58 VanDerWaalsContact O-N 3.15Å; V58-V60 HydrophobicContact CG2-CG2 4.38Å; V58-I93 HydrophobicContact CB-CG2 3.53Å; V58-I93 HydrophobicContact CG1-CG2 3.76Å; V58-I93 HydrophobicContact CG2-CG2 3.76Å; V58-Q94 CarbonylContact C-O 3.6Å; V58-Q94 WeakPolarHBondContact CA-O 3.18Å
59L88.9Confident87.6Confident23 Ų2354.6 Ų54.612%0.1229%0.286CS..EExtended strand (participates in β ladder)trans-96.2123.9170.8-164.4159.8000107.9I93 Q94 A99 Y101 F104 M135L59-I93 WeakPolarHBondContact O-CA 3.18Å; L59-Q94 PolarHBondContact N-O 3.17Å; L59-Q94 PolarHBondContact O-N 2.76Å; L59-Q94 VanDerWaalsContact O-N 3.07Å; L59-A99 HydrophobicContact CD1-CB 4.39Å; L59-Y101 HydrophobicContact CD1-CD1 3.87Å; L59-Y101 HydrophobicContact CD1-CE1 3.3Å; L59-F104 HydrophobicContact CD2-CD2 4.37Å; L59-F104 HydrophobicContact CD2-CE1 3.81Å; L59-F104 HydrophobicContact CD2-CE2 3.45Å; L59-F104 VanDerWaalsContact CD2-CE2 3.45Å; L59-F104 HydrophobicContact CD2-CZ 3.13Å; L59-M135 HydrophobicContact CD1-CG 4.46Å
60V91.8Very high87.4Confident3 Ų349.8 Ų49.82%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-101.9132.3-178.7-176.60000109.3Y44 L47 V58 I72 I91Y44-V60 HydrophobicContact CD2-CG2 3.86Å; Y44-V60 HydrophobicContact CE2-CG2 4.08Å; L47-V60 HydrophobicContact CD1-CG1 3.68Å; L47-V60 HydrophobicContact CD1-CG2 3.96Å; V58-V60 HydrophobicContact CG2-CG2 4.38Å; V60-I72 HydrophobicContact CB-CB 4.43Å; V60-I72 HydrophobicContact CG1-CB 4.16Å; V60-I72 HydrophobicContact CG1-CD1 4.17Å; V60-I72 HydrophobicContact CG1-CG1 4.35Å; V60-I72 PolarHBondContact O-N 2.79Å; V60-I91 HydrophobicContact CG1-CG2 3.8Å
61G91.6Very high87.3Confident0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-131.1154.917400000112.4L70 I91 F92G61-L70 CarbonylContact C-O 3.53Å; G61-L70 WeakPolarHBondContact CA-O 3.27Å; G61-I91 CarbonylContact O-C 3.51Å; G61-I91 VanDerWaalsContact O-CA 3.29Å; G61-I91 WeakPolarHBondContact O-CA 3.35Å; G61-F92 PolarHBondContact N-O 3.38Å; G61-F92 PolarHBondContact O-N 3.14Å
62Y92.7Very high87.1Confident8 Ų849.6 Ų49.63%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-120.5147.2169.573.3-75.9000111.9D64 L69 L70 I72 A81 R90Y62-D64 HydrophobicContact CE2-CB 4.09Å; Y62-L69 WeakPolarHBondContact O-CA 3.41Å; Y62-L70 HydrophobicContact CD1-CB 4Å; Y62-L70 WeakPolarHBondContact CD1-O 3.35Å; Y62-L70 HydrophobicContact CE1-CB 3.56Å; Y62-L70 HydrophobicContact CE1-CD1 4.37Å; Y62-L70 HydrophobicContact CE2-CD1 4.34Å; Y62-L70 PolarHBondContact N-O 3.07Å; Y62-L70 PolarHBondContact O-N 2.82Å; Y62-I72 HydrophobicContact CD1-CD1 4.09Å; Y62-I72 HydrophobicContact CD1-CG1 3.59Å; Y62-I72 HydrophobicContact CE1-CG1 4.3Å; Y62-I72 HydrophobicContact CG-CD1 4.48Å; Y62-I72 HydrophobicContact CG-CG1 4.42Å; Y62-A81 HydrophobicContact CD1-CB 3.63Å; Y62-A81 HydrophobicContact CD2-CB 3.72Å; Y62-A81 HydrophobicContact CE1-CB 3.81Å; Y62-A81 HydrophobicContact CE2-CB 3.92Å; Y62-A81 HydrophobicContact CG-CB 3.55Å; Y62-R90 CarbonylContact C-O 3.58Å; Y62-R90 VanDerWaalsContact CA-O 3.25Å; Y62-R90 WeakPolarHBondContact CA-O 3.48Å
63A91.1Very high86.9Confident12 Ų1244.1 Ų44.110%0.09924%0.243CC..EExtended strand (participates in β ladder)trans-80.6121.4165.300000109.6D68 R90 F92 L109A63-D68 WeakPolarHBondContact CA-O 3.44Å; A63-R90 HydrophobicContact CB-CB 3.98Å; A63-R90 PolarHBondContact N-O 3.47Å; A63-F92 HydrophobicContact CB-CE2 4.18Å; A63-L109 HydrophobicContact CB-CD1 3.59Å
64D88.4Confident86.9Confident25 Ų2544.8 Ų44.813%0.13425%0.247CC..  trans-76.5167.1172.2-171.238.1000112.2Y62 H66 G67 D68 L70 T84Y62-D64 HydrophobicContact CE2-CB 4.09Å; D64-H66 PolarHBondContact O-N 2.96Å; D64-H66 IonicContact OD2-CD2 3.17Å; D64-H66 PolarHBondContact OD2-CD2 2.81Å; D64-H66 IonicContact OD2-CG 3.82Å; D64-G67 PolarHBondContact O-N 2.9Å; D64-D68 PolarHBondContact N-O 2.83Å; D64-L70 HydrophobicContact CB-CD1 3.96Å; D64-L70 HydrophobicContact CB-CG 4.48Å; D64-T84 WeakPolarHBondContact OD1-CG2 3.35Å
65I84.2Confident87.3Confident111 Ų11143.6 Ų43.657%0.56924%0.236SC*.THydrogen-bonded Turntrans-58.7-26.8175.756.1170.8000113G67 T84I65-G67 VanDerWaalsContact C-N 3.28Å; I65-G67 PolarHBondContact O-N 3.32Å; I65-T84 HydrophobicContact CD1-CG2 3.96Å; I65-T84 HydrophobicContact CG1-CG2 3.85Å; I65-T84 HydrophobicContact CG2-CG2 4.02Å; I65-T84 WeakPolarHBondContact CG2-O 3.37Å
66H82.4Confident87.7Confident143 Ų14341.6 Ų41.666%0.66223%0.225SC*.THydrogen-bonded Turntrans-78.8-8.7176.2-61.8-57.9000113.6D64D64-H66 PolarHBondContact O-N 2.96Å; D64-H66 IonicContact OD2-CD2 3.17Å; D64-H66 PolarHBondContact OD2-CD2 2.81Å; D64-H66 IonicContact OD2-CG 3.82Å
67G78.7Confident87.9Confident21 Ų2141.6 Ų41.622%0.21622%0.224CC..SBendtrans93.35.9-179.300000114.7D64 I65 L109D64-G67 PolarHBondContact O-N 2.9Å; I65-G67 VanDerWaalsContact C-N 3.28Å; I65-G67 PolarHBondContact O-N 3.32Å; G67-L109 WeakPolarHBondContact O-CB 3.33Å; G67-L109 WeakPolarHBondContact O-CD1 2.91Å; G67-L109 VanDerWaalsContact O-CG 3.24Å; G67-L109 WeakPolarHBondContact O-CG 3.43Å
68D84.1Confident88.3Confident24 Ų2437.3 Ų37.313%0.12820%0.201CC..  trans-84.1138.4179.6-69-8.7000111.5A63 D64 L70 T106 D107A63-D68 WeakPolarHBondContact CA-O 3.44Å; D64-D68 PolarHBondContact N-O 2.83Å; D68-L70 HydrophobicContact CB-CD2 4.27Å; D68-L70 HydrophobicContact CB-CG 4.33Å; D68-T106 VanDerWaalsContact OD1-CA 3.27Å; D68-T106 WeakPolarHBondContact OD1-CA 3.11Å; D68-D107 PolarHBondContact OD1-N 2.97Å
69L87.4Confident88.4Confident10 Ų1040.5 Ų40.55%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-86.1109.2168.8-172.266.7000109.4Y62 F92 A103 F104 G105 T108Y62-L69 WeakPolarHBondContact O-CA 3.41Å; L69-F92 HydrophobicContact CD1-CB 4.05Å; L69-F92 HydrophobicContact CD1-CD2 3.41Å; L69-F92 VanDerWaalsContact CD1-CD2 3.41Å; L69-F92 HydrophobicContact CD1-CE2 4.09Å; L69-F92 HydrophobicContact CD1-CG 3.91Å; L69-A103 WeakPolarHBondContact CD2-O 3.38Å; L69-F104 HydrophobicContact CD1-CE1 4.41Å; L69-F104 HydrophobicContact CD2-CD1 4.2Å; L69-F104 HydrophobicContact CD2-CE1 3.83Å; L69-F104 HydrophobicContact CD2-CE2 4.28Å; L69-F104 HydrophobicContact CD2-CZ 3.83Å; L69-F104 HydrophobicContact CG-CD1 3.87Å; L69-F104 HydrophobicContact CG-CE1 3.64Å; L69-F104 HydrophobicContact CG-CZ 4.17Å; L69-F104 WeakPolarHBondContact O-CA 3.3Å; L69-F104 WeakPolarHBondContact O-CD1 3.42Å; L69-G105 PolarHBondContact O-N 2.96Å; L69-T108 WeakPolarHBondContact CB-OG1 3.43Å; L69-T108 PolarHBondContact N-OG1 2.84Å
70L88.4Confident88.5Confident51 Ų5145.1 Ų45.127%0.26723%0.234SC..EExtended strand (participates in β ladder)trans-109141.4-179.3-60.8-179.1000110.4G61 Y62 D64 D68G61-L70 CarbonylContact C-O 3.53Å; G61-L70 WeakPolarHBondContact CA-O 3.27Å; Y62-L70 HydrophobicContact CD1-CB 4Å; Y62-L70 WeakPolarHBondContact CD1-O 3.35Å; Y62-L70 HydrophobicContact CE1-CB 3.56Å; Y62-L70 HydrophobicContact CE1-CD1 4.37Å; Y62-L70 HydrophobicContact CE2-CD1 4.34Å; Y62-L70 PolarHBondContact N-O 3.07Å; Y62-L70 PolarHBondContact O-N 2.82Å; D64-L70 HydrophobicContact CB-CD1 3.96Å; D64-L70 HydrophobicContact CB-CG 4.48Å; D68-L70 HydrophobicContact CB-CD2 4.27Å; D68-L70 HydrophobicContact CB-CG 4.33Å
71P89.8Confident88.5Confident25 Ų2545 Ų4516%0.16223%0.233CC..EExtended strand (participates in β ladder)trans-72.5148.4179.631.5-35.9000111.7F104 M135P71-F104 HydrophobicContact CB-CD1 4.19Å; P71-F104 HydrophobicContact CB-CE1 4.31Å; P71-M135 HydrophobicContact CB-CG 4.34Å; P71-M135 HydrophobicContact CG-CE 3.96Å; P71-M135 HydrophobicContact CG-CG 4.45Å
72I90.3Very high88.5Confident4 Ų445.2 Ų45.22%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-109.4110161.9-48.4-176.1000107.2F40 F43 V60 Y62 Y78 A81 I91F40-I72 HydrophobicContact CD2-CB 4.42Å; F40-I72 HydrophobicContact CD2-CG2 3.39Å; F40-I72 HydrophobicContact CE2-CB 3.99Å; F40-I72 HydrophobicContact CE2-CG2 3.43Å; F40-I72 VanDerWaalsContact CE2-CG2 3.43Å; F40-I72 WeakPolarHBondContact CE2-O 3.4Å; F40-I72 HydrophobicContact CG-CG2 4.37Å; F40-I72 HydrophobicContact CZ-CG2 4.44Å; F40-I72 VanDerWaalsContact CZ-O 3.29Å; F40-I72 WeakPolarHBondContact CZ-O 3.45Å; F43-I72 HydrophobicContact CE1-CD1 4.41Å; V60-I72 HydrophobicContact CB-CB 4.43Å; V60-I72 HydrophobicContact CG1-CB 4.16Å; V60-I72 HydrophobicContact CG1-CD1 4.17Å; V60-I72 HydrophobicContact CG1-CG1 4.35Å; V60-I72 PolarHBondContact O-N 2.79Å; Y62-I72 HydrophobicContact CD1-CD1 4.09Å; Y62-I72 HydrophobicContact CD1-CG1 3.59Å; Y62-I72 HydrophobicContact CE1-CG1 4.3Å; Y62-I72 HydrophobicContact CG-CD1 4.48Å; Y62-I72 HydrophobicContact CG-CG1 4.42Å; I72-Y78 HydrophobicContact CG2-CD2 4.44Å; I72-A81 HydrophobicContact CD1-CB 3.83Å; I72-A81 HydrophobicContact CG1-CB 4.37Å; I72-I91 HydrophobicContact CD1-CD1 3.73Å
73N87.6Confident88.4Confident47 Ų4749.5 Ų49.525%0.25127%0.265SS..  trans-138.23.2-176.664.7-10.5000113.8N77 P136N73-N77 PolarHBondContact OD1-ND2 2.92Å; N73-P136 PolarHBondContact ND2-O 3.39Å
74N87.9Confident88.3Confident36 Ų3650.3 Ų50.319%0.19327%0.269CS..SBendtrans-155.7170.6176.166.67.5000110.4D76 N77 Y78N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.35Å; N74-D76 PolarHBondContact OD1-N 2.68Å; N74-N77 WeakPolarHBondContact OD1-CB 3.18Å; N74-N77 PolarHBondContact OD1-N 3.33Å; N74-N77 PolarHBondContact OD1-ND2 2.9Å; N74-N77 VanDerWaalsContact OD1-ND2 3.17Å; N74-Y78 PolarHBondContact O-N 3.43Å; N74-Y78 VanDerWaalsContact O-N 3.14Å
75D89.2Confident88.2Confident63 Ų6349.6 Ų49.634%0.33727%0.267SS..Hα-helixtrans-61.2-36.5-179.9-74.5-19.5000112.5F40 Y78 H79F40-D75 WeakPolarHBondContact CB-OD1 3.34Å; F40-D75 PolarHBondContact N-OD1 2.83Å; D75-Y78 WeakPolarHBondContact O-CB 3.17Å; D75-Y78 PolarHBondContact O-N 2.64Å; D75-H79 PolarHBondContact O-N 2.78Å; D75-H79 PolarHBondContact O-ND1 2.93Å
76D88.3Confident88.1Confident119 Ų11950.2 Ų50.264%0.63627%0.271SS*.Hα-helixtrans-67.5-46.5-178.7-64.6-46.4000112.4N74 Y78 H79 K80N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.35Å; N74-D76 PolarHBondContact OD1-N 2.68Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 2.99Å; D76-H79 PolarHBondContact O-N 3.19Å; D76-K80 VanDerWaalsContact O-CB 3.32Å; D76-K80 WeakPolarHBondContact O-CB 3.22Å; D76-K80 PolarHBondContact O-N 2.97Å
77N90.5Very high88Confident44 Ų4448.2 Ų48.224%0.23527%0.271CS..Hα-helixtrans-65.2-32.7176.4-72.2-27.9000111N73 N74 A81N73-N77 PolarHBondContact OD1-ND2 2.92Å; N74-N77 WeakPolarHBondContact OD1-CB 3.18Å; N74-N77 PolarHBondContact OD1-N 3.33Å; N74-N77 PolarHBondContact OD1-ND2 2.9Å; N74-N77 VanDerWaalsContact OD1-ND2 3.17Å; N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 2.87Å
78Y92.4Very high88.5Confident1 Ų149 Ų490%0.00427%0.27CS..Hα-helixtrans-66.4-49.9172.7175.3-123.3000111.9L32 P37 F40 F43 I72 N74 D75 D76 K80 A81 V82L32-Y78 HydrophobicContact CD2-CE2 4.48Å; L32-Y78 WeakPolarHBondContact CD2-OH 3.46Å; P37-Y78 HydrophobicContact CB-CE1 3.9Å; P37-Y78 VanDerWaalsContact O-CE1 3.29Å; P37-Y78 WeakPolarHBondContact O-CE1 3.44Å; P37-Y78 PolarHBondContact O-OH 3.45Å; F40-Y78 HydrophobicContact CB-CG 4.45Å; F43-Y78 HydrophobicContact CB-CD2 4.33Å; F43-Y78 HydrophobicContact CB-CE1 4.22Å; F43-Y78 HydrophobicContact CB-CE2 3.69Å; F43-Y78 AromaticContact CD1-CD2 3.72Å; F43-Y78 HydrophobicContact CD1-CD2 3.72Å; F43-Y78 AromaticContact CD1-CE2 3.4Å; F43-Y78 HydrophobicContact CD1-CE2 3.4Å; F43-Y78 VanDerWaalsContact CD1-CE2 3.4Å; F43-Y78 AromaticContact CD2-CE2 3.64Å; F43-Y78 HydrophobicContact CD2-CE2 3.64Å; F43-Y78 AromaticContact CD2-CZ 3.91Å; F43-Y78 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y78 HydrophobicContact CE1-CD2 4.15Å; F43-Y78 AromaticContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE2-CE2 4.07Å; F43-Y78 HydrophobicContact CG-CD2 4.02Å; F43-Y78 AromaticContact CG-CE2 3.28Å; F43-Y78 HydrophobicContact CG-CE2 3.28Å; F43-Y78 AromaticContact CG-CZ 3.66Å; F43-Y78 HydrophobicContact CZ-CE2 4.15Å; I72-Y78 HydrophobicContact CG2-CD2 4.44Å; N74-Y78 PolarHBondContact O-N 3.43Å; N74-Y78 VanDerWaalsContact O-N 3.14Å; D75-Y78 WeakPolarHBondContact O-CB 3.17Å; D75-Y78 PolarHBondContact O-N 2.64Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 2.99Å; Y78-K80 VanDerWaalsContact C-N 3.28Å; Y78-K80 PolarHBondContact O-N 3.15Å; Y78-A81 WeakPolarHBondContact O-CB 3.49Å; Y78-A81 PolarHBondContact O-N 3.45Å; Y78-V82 HydrophobicContact CD2-CG2 4.19Å; Y78-V82 HydrophobicContact CE2-CG2 3.76Å; Y78-V82 WeakPolarHBondContact O-CG2 3.36Å; Y78-V82 PolarHBondContact O-N 3.04Å
79H91.1Very high89Confident80 Ų8047.8 Ų47.837%0.3726%0.264SS..Hα-helixtrans-60.7-37.6175.2-77.981.2000112D75 D76 S83D75-H79 PolarHBondContact O-N 2.78Å; D75-H79 PolarHBondContact O-ND1 2.93Å; D76-H79 PolarHBondContact O-N 3.19Å; H79-S83 VanDerWaalsContact O-CB 3.22Å; H79-S83 WeakPolarHBondContact O-CB 3.34Å; H79-S83 PolarHBondContact O-N 3.06Å; H79-S83 PolarHBondContact O-OG 3.46Å
80K90.8Very high89.2Confident121 Ų12154 Ų5453%0.52629%0.286SS..Hα-helixtrans-63.7-45.8174.6-173.271.6-179.8-168.40111.6D76 Y78 S83 T84D76-K80 VanDerWaalsContact O-CB 3.32Å; D76-K80 WeakPolarHBondContact O-CB 3.22Å; D76-K80 PolarHBondContact O-N 2.97Å; Y78-K80 VanDerWaalsContact C-N 3.28Å; Y78-K80 PolarHBondContact O-N 3.15Å; K80-S83 PolarHBondContact O-N 3.29Å; K80-T84 WeakPolarHBondContact O-CB 3.45Å; K80-T84 PolarHBondContact O-N 3.22Å; K80-T84 PolarHBondContact O-OG1 3.09Å
81A91.9Very high89.5Confident0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-59.9-46.817700000111.9Y62 I72 N77 Y78 A85 L89Y62-A81 HydrophobicContact CD1-CB 3.63Å; Y62-A81 HydrophobicContact CD2-CB 3.72Å; Y62-A81 HydrophobicContact CE1-CB 3.81Å; Y62-A81 HydrophobicContact CE2-CB 3.92Å; Y62-A81 HydrophobicContact CG-CB 3.55Å; I72-A81 HydrophobicContact CD1-CB 3.83Å; I72-A81 HydrophobicContact CG1-CB 4.37Å; N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 2.87Å; Y78-A81 WeakPolarHBondContact O-CB 3.49Å; Y78-A81 PolarHBondContact O-N 3.45Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.92Å; A81-L89 HydrophobicContact CB-CD1 4.02Å
82V92Very high89.6Confident4 Ų453.2 Ų53.22%0.02428%0.278CS..Hα-helixtrans-64.9-40177.9173.20000112M17 L32 R34 P37 Y78 L89M17-V82 HydrophobicContact CE-CB 4.25Å; M17-V82 HydrophobicContact CE-CG1 3.93Å; M17-V82 HydrophobicContact CE-CG2 4.15Å; L32-V82 HydrophobicContact CD2-CG2 3.99Å; R34-V82 HydrophobicContact CG-CG1 4.23Å; P37-V82 HydrophobicContact CB-CG1 4.18Å; P37-V82 HydrophobicContact CB-CG2 4.15Å; Y78-V82 HydrophobicContact CD2-CG2 4.19Å; Y78-V82 HydrophobicContact CE2-CG2 3.76Å; Y78-V82 WeakPolarHBondContact O-CG2 3.36Å; Y78-V82 PolarHBondContact O-N 3.04Å; V82-L89 HydrophobicContact CG2-CD2 4.34Å
83S90.3Very high89.7Confident98 Ų9853.4 Ų53.469%0.68528%0.279SS*.Hα-helixtrans-72.7-33.4-177.9-58.70000113H79 K80H79-S83 VanDerWaalsContact O-CB 3.22Å; H79-S83 WeakPolarHBondContact O-CB 3.34Å; H79-S83 PolarHBondContact O-N 3.06Å; H79-S83 PolarHBondContact O-OG 3.46Å; K80-S83 PolarHBondContact O-N 3.29Å
84T88.6Confident89.7Confident30 Ų3053.8 Ų53.818%0.18428%0.279CS..Hα-helixtrans-91.4-24.6-175-40.30000112.2D64 I65 K80 N86D64-T84 WeakPolarHBondContact OD1-CG2 3.35Å; I65-T84 HydrophobicContact CD1-CG2 3.96Å; I65-T84 HydrophobicContact CG1-CG2 3.85Å; I65-T84 HydrophobicContact CG2-CG2 4.02Å; I65-T84 WeakPolarHBondContact CG2-O 3.37Å; K80-T84 WeakPolarHBondContact O-CB 3.45Å; K80-T84 PolarHBondContact O-N 3.22Å; K80-T84 PolarHBondContact O-OG1 3.09Å; T84-N86 PolarHBondContact O-N 3.18Å
85A86.2Confident89.7Confident9 Ų954.7 Ų54.77%0.07428%0.282CS..  trans-68.3113.9177.900000113M17 R34 A81 L89M17-A85 HydrophobicContact SD-CB 3.68Å; R34-A85 PolarHBondContact NH2-O 2.59Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.92Å; A85-L89 HydrophobicContact CB-CB 3.62Å; A85-L89 HydrophobicContact CB-CD1 3.84Å; A85-L89 HydrophobicContact CB-CG 4.28Å
86N81.7Confident89.3Confident125 Ų12556.8 Ų56.867%0.66829%0.288SS*.  trans-142.7123.1175.5-166.316.5000112.2T84T84-N86 PolarHBondContact O-N 3.18Å
87P81.9Confident88.7Confident100 Ų10058.3 Ų58.365%0.64929%0.291SS*.SBendcis-83.3-7-9.835.6-36.4000113.8
88L88.9Confident87.8Confident37 Ų3761.8 Ų61.819%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-124.2120.3-167.1179.874.3000111.4E18 K20 R90E18-L88 HydrophobicContact CB-CD1 3.74Å; E18-L88 HydrophobicContact CG-CD1 3.67Å; E18-L88 WeakPolarHBondContact O-CA 3.42Å; K20-L88 HydrophobicContact CB-CD1 3.88Å; K20-L88 HydrophobicContact CB-CD2 4.06Å; K20-L88 HydrophobicContact CB-CG 4.23Å; K20-L88 HydrophobicContact CD-CD2 4.4Å; L88-R90 HydrophobicContact CD2-CG 3.99Å; L88-R90 HydrophobicContact CG-CG 4.24Å; L88-R90 PolarHBondContact O-N 3.25Å
89L93.1Very high86.5Confident0 Ų062.4 Ų62.40%031%0.311CS..EExtended strand (participates in β ladder)trans-78.3113.7168.7177.256.9000109.4M17 E18 V19 K20 F43 A81 V82 A85 I91M17-L89 HydrophobicContact CE-CB 3.7Å; M17-L89 HydrophobicContact CE-CD2 3.7Å; M17-L89 HydrophobicContact CE-CG 4.33Å; M17-L89 HydrophobicContact SD-CB 3.99Å; E18-L89 PolarHBondContact O-N 3.13Å; V19-L89 CarbonylContact C-O 3.57Å; V19-L89 WeakPolarHBondContact CA-O 3.49Å; V19-L89 HydrophobicContact CG1-CB 4.48Å; V19-L89 HydrophobicContact CG1-CD2 4.46Å; V19-L89 HydrophobicContact CG1-CG 4.39Å; V19-L89 HydrophobicContact CG2-CB 4.33Å; V19-L89 HydrophobicContact CG2-CD2 4.32Å; K20-L89 PolarHBondContact N-O 3.29Å; F43-L89 HydrophobicContact CZ-CD2 4.42Å; A81-L89 HydrophobicContact CB-CD1 4.02Å; V82-L89 HydrophobicContact CG2-CD2 4.34Å; A85-L89 HydrophobicContact CB-CB 3.62Å; A85-L89 HydrophobicContact CB-CD1 3.84Å; A85-L89 HydrophobicContact CB-CG 4.28Å; L89-I91 HydrophobicContact CD1-CD1 3.79Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 4.35Å; L89-I91 HydrophobicContact CG-CD1 3.73Å; L89-I91 HydrophobicContact CG-CG1 4Å
90R93.4Very high85.4Confident139 Ų13961.7 Ų61.753%0.52531%0.31SS..EExtended strand (participates in β ladder)trans-96.3108.8179.2-63.8174.2-178.1170.11.8109.3K20 Y62 A63 L88 F92K20-R90 WeakPolarHBondContact O-CA 3.45Å; Y62-R90 CarbonylContact C-O 3.58Å; Y62-R90 VanDerWaalsContact CA-O 3.25Å; Y62-R90 WeakPolarHBondContact CA-O 3.48Å; A63-R90 HydrophobicContact CB-CB 3.98Å; A63-R90 PolarHBondContact N-O 3.47Å; L88-R90 HydrophobicContact CD2-CG 3.99Å; L88-R90 HydrophobicContact CG-CG 4.24Å; L88-R90 PolarHBondContact O-N 3.25Å; R90-F92 HydrophobicContact CB-CE2 4.37Å
91I94.6Very high84.2Confident1 Ų157.7 Ų57.71%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-100.8140.1178.9-60-57.9000110.7V19 K20 S21 K22 F43 L47 V60 G61 I72 L89 I93V19-I91 HydrophobicContact CG1-CG1 3.85Å; K20-I91 PolarHBondContact O-N 3.01Å; S21-I91 CarbonylContact C-O 3.57Å; S21-I91 WeakPolarHBondContact CA-O 3.17Å; K22-I91 PolarHBondContact N-O 2.76Å; F43-I91 HydrophobicContact CE1-CD1 4.37Å; F43-I91 HydrophobicContact CZ-CD1 4.36Å; F43-I91 HydrophobicContact CZ-CG1 4.14Å; L47-I91 HydrophobicContact CD1-CG2 4Å; L47-I91 HydrophobicContact CD2-CG2 4.41Å; V60-I91 HydrophobicContact CG1-CG2 3.8Å; G61-I91 CarbonylContact O-C 3.51Å; G61-I91 VanDerWaalsContact O-CA 3.29Å; G61-I91 WeakPolarHBondContact O-CA 3.35Å; I72-I91 HydrophobicContact CD1-CD1 3.73Å; L89-I91 HydrophobicContact CD1-CD1 3.79Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 4.35Å; L89-I91 HydrophobicContact CG-CD1 3.73Å; L89-I91 HydrophobicContact CG-CG1 4Å; I91-I93 HydrophobicContact CG2-CG1 3.99Å
92F92.1Very high82.9Confident59 Ų5962.1 Ų62.126%0.25932%0.323SS..EExtended strand (participates in β ladder)trans-120.1131.6170.6-63.2-99.3000108.5K22 G61 A63 L69 R90 L109K22-F92 HydrophobicContact CB-CD1 4.31Å; K22-F92 HydrophobicContact CD-CD1 4.02Å; K22-F92 HydrophobicContact CD-CE1 4.06Å; G61-F92 PolarHBondContact N-O 3.38Å; G61-F92 PolarHBondContact O-N 3.14Å; A63-F92 HydrophobicContact CB-CE2 4.18Å; L69-F92 HydrophobicContact CD1-CB 4.05Å; L69-F92 HydrophobicContact CD1-CD2 3.41Å; L69-F92 VanDerWaalsContact CD1-CD2 3.41Å; L69-F92 HydrophobicContact CD1-CE2 4.09Å; L69-F92 HydrophobicContact CD1-CG 3.91Å; R90-F92 HydrophobicContact CB-CE2 4.37Å; F92-L109 HydrophobicContact CE2-CD2 4.3Å; F92-L109 HydrophobicContact CZ-CD2 3.98Å
93I92Very high81.6Confident9 Ų962.3 Ų62.35%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-118.9130.6178.4-52.2-177.4000107.5S21 K22 F23 L47 H51 I53 V58 L59 I91S21-I93 WeakPolarHBondContact OG-CD1 3.34Å; K22-I93 PolarHBondContact O-N 2.71Å; F23-I93 HydrophobicContact CB-CB 4.19Å; F23-I93 HydrophobicContact CD2-CB 3.84Å; F23-I93 HydrophobicContact CD2-CG2 3.61Å; F23-I93 HydrophobicContact CE2-CG2 4.16Å; F23-I93 HydrophobicContact CG-CB 4.46Å; F23-I93 HydrophobicContact CG-CG2 4.48Å; L47-I93 HydrophobicContact CB-CD1 4Å; L47-I93 HydrophobicContact CD1-CD1 4.2Å; L47-I93 HydrophobicContact CD2-CD1 4.24Å; L47-I93 HydrophobicContact CG-CD1 4.39Å; H51-I93 WeakPolarHBondContact CD2-CD1 3.49Å; I53-I93 HydrophobicContact CD1-CG2 4.41Å; V58-I93 HydrophobicContact CB-CG2 3.53Å; V58-I93 HydrophobicContact CG1-CG2 3.76Å; V58-I93 HydrophobicContact CG2-CG2 3.76Å; L59-I93 WeakPolarHBondContact O-CA 3.18Å; I91-I93 HydrophobicContact CG2-CG1 3.99Å
94Q88Confident80.4Confident54 Ų5458.8 Ų58.825%0.25230%0.297SS..EExtended strand (participates in β ladder)trans-131.8142.5174.8-172.4163.9-1.300108.2V58 L59 E98V58-Q94 CarbonylContact C-O 3.6Å; V58-Q94 WeakPolarHBondContact CA-O 3.18Å; L59-Q94 PolarHBondContact N-O 3.17Å; L59-Q94 PolarHBondContact O-N 2.76Å; L59-Q94 VanDerWaalsContact O-N 3.07Å; Q94-E98 PolarHBondContact NE2-O 2.91Å
95K86.7Confident79.2Confident55 Ų5558.5 Ų58.524%0.23930%0.301CS..EExtended strand (participates in β ladder)trans-65.3143173.2-57.4-169.7-163.1158.60109.9F23 V56 E97 E98 A99F23-K95 HydrophobicContact CE2-CG 4.06Å; F23-K95 HydrophobicContact CZ-CG 4.07Å; V56-K95 HydrophobicContact CG1-CD 4.28Å; V56-K95 HydrophobicContact CG1-CG 4.09Å; K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 3.83Å; K95-E97 HydrophobicContact CD-CG 3.92Å; K95-E97 WeakPolarHBondContact CD-OE1 3.48Å; K95-E97 WeakPolarHBondContact CE-OE1 3.3Å; K95-E97 IonicContact NZ-OE1 3.09Å; K95-E97 PolarHBondContact NZ-OE1 2.78Å; K95-E97 PolarHBondContact O-N 2.86Å; K95-E98 HydrophobicContact CB-CB 4.31Å; K95-E98 WeakPolarHBondContact CD-OE1 3.44Å; K95-E98 VanDerWaalsContact CE-OE1 3.3Å; K95-E98 WeakPolarHBondContact CE-OE1 3.13Å; K95-E98 IonicContact NZ-OE1 3.51Å; K95-E98 PolarHBondContact NZ-OE1 3.37Å; K95-E98 CarbonylContact O-C 3.14Å; K95-E98 PolarHBondContact O-N 2.82Å; K95-E98 VanDerWaalsContact O-N 3.14Å; K95-A99 WeakPolarHBondContact O-CA 3.29Å; K95-A99 WeakPolarHBondContact O-CB 3.47Å; K95-A99 PolarHBondContact O-N 3.14Å
96K81.1Confident77.9Confident108 Ų10862.6 Ų62.647%0.4733%0.325SS..G310 helixtrans-63.9-32.5179.5-170-179.5176.8179.10113.2D57 A99D57-K96 HydrophobicContact CB-CB 3.93Å; D57-K96 HydrophobicContact CB-CD 3.77Å; D57-K96 WeakPolarHBondContact O-CB 3.36Å; D57-K96 PolarHBondContact O-N 3.3Å; D57-K96 WeakPolarHBondContact OD2-CD 2.99Å; D57-K96 WeakPolarHBondContact OD2-CE 3.47Å; D57-K96 IonicContact OD2-NZ 2.71Å; D57-K96 PolarHBondContact OD2-NZ 3.4Å; K96-A99 WeakPolarHBondContact O-CB 3.35Å; K96-A99 PolarHBondContact O-N 2.79Å
97E75.1Confident76.7Confident150 Ų15060 Ų6070%0.70131%0.311SS*.G310 helixtrans-68-31.5173.750.1169.9-166.600113.6K95K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 3.83Å; K95-E97 HydrophobicContact CD-CG 3.92Å; K95-E97 WeakPolarHBondContact CD-OE1 3.48Å; K95-E97 WeakPolarHBondContact CE-OE1 3.3Å; K95-E97 IonicContact NZ-OE1 3.09Å; K95-E97 PolarHBondContact NZ-OE1 2.78Å; K95-E97 PolarHBondContact O-N 2.86Å
98E72.1Confident75.7Confident117 Ų11756.1 Ų56.155%0.54729%0.285SS..G310 helixtrans-102.712.1179.3-66168.1-154.700111.5Q94 K95 D100Q94-E98 PolarHBondContact NE2-O 2.91Å; K95-E98 HydrophobicContact CB-CB 4.31Å; K95-E98 WeakPolarHBondContact CD-OE1 3.44Å; K95-E98 VanDerWaalsContact CE-OE1 3.3Å; K95-E98 WeakPolarHBondContact CE-OE1 3.13Å; K95-E98 IonicContact NZ-OE1 3.51Å; K95-E98 PolarHBondContact NZ-OE1 3.37Å; K95-E98 CarbonylContact O-C 3.14Å; K95-E98 PolarHBondContact O-N 2.82Å; K95-E98 VanDerWaalsContact O-N 3.14Å; E98-D100 PolarHBondContact O-N 2.92Å
99A65.8Low74.2Confident14 Ų1457.3 Ų57.312%0.11629%0.292CS..  trans-73.9115.1-167.900000112.2L59 K95 K96 Y101L59-A99 HydrophobicContact CD1-CB 4.39Å; K95-A99 WeakPolarHBondContact O-CA 3.29Å; K95-A99 WeakPolarHBondContact O-CB 3.47Å; K95-A99 PolarHBondContact O-N 3.14Å; K96-A99 WeakPolarHBondContact O-CB 3.35Å; K96-A99 PolarHBondContact O-N 2.79Å; A99-Y101 HydrophobicContact CB-CD2 3.98Å; A99-Y101 HydrophobicContact CB-CE2 3.41Å; A99-Y101 VanDerWaalsContact CB-CE2 3.41Å; A99-Y101 WeakPolarHBondContact O-CD2 3.49Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å; A99-Y101 PolarHBondContact O-N 2.76Å
100D66.6Low72.4Confident65 Ų6562.9 Ų62.935%0.34832%0.32SS..  trans-87.388.8169-178.97000108.7E98 S102 A103E98-D100 PolarHBondContact O-N 2.92Å; D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 VanDerWaalsContact O-N 3.13Å; D100-S102 WeakPolarHBondContact OD1-CB 3.32Å; D100-S102 PolarHBondContact OD1-N 3.33Å; D100-S102 PolarHBondContact OD1-OG 3.2Å; D100-S102 PolarHBondContact OD2-OG 3.4Å; D100-A103 WeakPolarHBondContact O-CB 3.29Å; D100-A103 PolarHBondContact O-N 3.35Å
101Y65.6Low70.6Confident38 Ų3862.9 Ų62.915%0.14932%0.324CS..G310 helixtrans-61.8-17.6-179.8-67.3-93.6000112.8L59 A99 A103 F104 V132 I133 M135L59-Y101 HydrophobicContact CD1-CD1 3.87Å; L59-Y101 HydrophobicContact CD1-CE1 3.3Å; A99-Y101 HydrophobicContact CB-CD2 3.98Å; A99-Y101 HydrophobicContact CB-CE2 3.41Å; A99-Y101 VanDerWaalsContact CB-CE2 3.41Å; A99-Y101 WeakPolarHBondContact O-CD2 3.49Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å; A99-Y101 PolarHBondContact O-N 2.76Å; Y101-A103 PolarHBondContact O-N 2.93Å; Y101-F104 PolarHBondContact O-N 3.43Å; Y101-V132 HydrophobicContact CD2-CG1 3.49Å; Y101-V132 VanDerWaalsContact CD2-CG1 3.49Å; Y101-V132 HydrophobicContact CE2-CG1 3.2Å; Y101-I133 WeakPolarHBondContact CB-O 3.47Å; Y101-I133 VanDerWaalsContact CG-O 3.3Å; Y101-M135 HydrophobicContact CD1-CG 3.84Å; Y101-M135 VanDerWaalsContact CD1-N 3.31Å; Y101-M135 HydrophobicContact CD1-SD 4.12Å; Y101-M135 HydrophobicContact CE1-CG 4.3Å
102S65.1Low68.7Low93 Ų9368.6 Ų68.665%0.6535%0.349SS*.G310 helixtrans-71.3-12.5172.681.70000113.6D100 F104D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 VanDerWaalsContact O-N 3.13Å; D100-S102 WeakPolarHBondContact OD1-CB 3.32Å; D100-S102 PolarHBondContact OD1-N 3.33Å; D100-S102 PolarHBondContact OD1-OG 3.2Å; D100-S102 PolarHBondContact OD2-OG 3.4Å; S102-F104 PolarHBondContact O-N 3.27Å
103A65.7Low66.8Low8 Ų874.5 Ų74.57%0.06637%0.374CS..G310 helixtrans-75.1-5.317700000114.2L69 D100 Y101 T108L69-A103 WeakPolarHBondContact CD2-O 3.38Å; D100-A103 WeakPolarHBondContact O-CB 3.29Å; D100-A103 PolarHBondContact O-N 3.35Å; Y101-A103 PolarHBondContact O-N 2.93Å; A103-T108 WeakPolarHBondContact O-CB 3.33Å; A103-T108 VanDerWaalsContact O-CG2 3.27Å; A103-T108 WeakPolarHBondContact O-CG2 3.46Å
104F64.9Low64.6Low24 Ų2480.3 Ų80.311%0.10541%0.405CS..SBendtrans-105.8132.8-179.2-70.8-90.4000111.4L59 L69 P71 Y101 S102 M135L59-F104 HydrophobicContact CD2-CD2 4.37Å; L59-F104 HydrophobicContact CD2-CE1 3.81Å; L59-F104 HydrophobicContact CD2-CE2 3.45Å; L59-F104 VanDerWaalsContact CD2-CE2 3.45Å; L59-F104 HydrophobicContact CD2-CZ 3.13Å; L69-F104 HydrophobicContact CD1-CE1 4.41Å; L69-F104 HydrophobicContact CD2-CD1 4.2Å; L69-F104 HydrophobicContact CD2-CE1 3.83Å; L69-F104 HydrophobicContact CD2-CE2 4.28Å; L69-F104 HydrophobicContact CD2-CZ 3.83Å; L69-F104 HydrophobicContact CG-CD1 3.87Å; L69-F104 HydrophobicContact CG-CE1 3.64Å; L69-F104 HydrophobicContact CG-CZ 4.17Å; L69-F104 WeakPolarHBondContact O-CA 3.3Å; L69-F104 WeakPolarHBondContact O-CD1 3.42Å; P71-F104 HydrophobicContact CB-CD1 4.19Å; P71-F104 HydrophobicContact CB-CE1 4.31Å; Y101-F104 PolarHBondContact O-N 3.43Å; S102-F104 PolarHBondContact O-N 3.27Å; F104-M135 HydrophobicContact CB-CE 3.67Å; F104-M135 HydrophobicContact CB-SD 3.84Å; F104-M135 HydrophobicContact CD2-SD 4.45Å; F104-M135 HydrophobicContact CG-CE 4.33Å; F104-M135 HydrophobicContact CG-SD 4.21Å
105G63.4Low62.7Low24 Ų2482.9 Ų82.925%0.24743%0.425CS..BIsolated β-bridgetrans126.3-164.9-175.800000114.3L69 T108L69-G105 PolarHBondContact O-N 2.96Å; G105-T108 WeakPolarHBondContact O-CB 3.45Å; G105-T108 WeakPolarHBondContact O-CG2 3.1Å; G105-T108 PolarHBondContact O-OG1 3.36Å
106T57.7Low60.8Low95 Ų9588 Ų8858%0.58345%0.454SS*.THydrogen-bonded Turntrans-74.5134.4-164.7-41.80000114.7D68 T108 K111D68-T106 VanDerWaalsContact OD1-CA 3.27Å; D68-T106 WeakPolarHBondContact OD1-CA 3.11Å; T106-T108 PolarHBondContact O-N 2.92Å; T106-K111 PolarHBondContact O-NZ 3.39Å
107D56.3Low59.2Low71 Ų7188.4 Ų88.438%0.3847%0.465SS..THydrogen-bonded Turntrans59.819.7-177-58.3-62.7000115.2D68 L109 I110 K111D68-D107 PolarHBondContact OD1-N 2.97Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.89Å; D107-I110 HydrophobicContact CB-CD1 4.46Å; D107-I110 PolarHBondContact O-N 2.98Å; D107-K111 PolarHBondContact O-N 3.44Å
108T61.4Low57.6Low18 Ų1888.1 Ų88.111%0.1147%0.469CS..Hα-helixtrans-63.1-30.5-171.439.30000114.2L69 A103 G105 T106L69-T108 WeakPolarHBondContact CB-OG1 3.43Å; L69-T108 PolarHBondContact N-OG1 2.84Å; A103-T108 WeakPolarHBondContact O-CB 3.33Å; A103-T108 VanDerWaalsContact O-CG2 3.27Å; A103-T108 WeakPolarHBondContact O-CG2 3.46Å; G105-T108 WeakPolarHBondContact O-CB 3.45Å; G105-T108 WeakPolarHBondContact O-CG2 3.1Å; G105-T108 PolarHBondContact O-OG1 3.36Å; T106-T108 PolarHBondContact O-N 2.92Å
109L58Low56.6Low62 Ų6288.4 Ų88.433%0.32548%0.478SS..Hα-helixtrans-76.3-22.4175.8-62.1-178.5000113.6A63 G67 F92 D107A63-L109 HydrophobicContact CB-CD1 3.59Å; G67-L109 WeakPolarHBondContact O-CB 3.33Å; G67-L109 WeakPolarHBondContact O-CD1 2.91Å; G67-L109 VanDerWaalsContact O-CG 3.24Å; G67-L109 WeakPolarHBondContact O-CG 3.43Å; F92-L109 HydrophobicContact CE2-CD2 4.3Å; F92-L109 HydrophobicContact CZ-CD2 3.98Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.89Å
110I55.2Low55.7Low116 Ų11695.2 Ų95.260%0.59551%0.512SS*.Hα-helixtrans-82.5-41.8-178.5-57.7173.9000110.2D107 K112D107-I110 HydrophobicContact CB-CD1 4.46Å; D107-I110 PolarHBondContact O-N 2.98Å; I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.31Å
111K55.6Low54.6Low140 Ų140103 Ų10361%0.60954%0.536SS*.Hα-helixtrans-66.2-24.8-176.8-69.1164.9-175.9156.40113.9T106 D107 K113T106-K111 PolarHBondContact O-NZ 3.39Å; D107-K111 PolarHBondContact O-N 3.44Å; K111-K113 PolarHBondContact O-N 2.7Å; K111-K113 VanDerWaalsContact O-N 3.09Å
112K54.2Low53.7Low121 Ų121107.9 Ų107.953%0.52657%0.572SS.*THydrogen-bonded Turntrans-71.33.2-177.9-102.5173.8177.7164.60116I110I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.31Å
113K52.5Low52.3Low182 Ų182108.6 Ų108.679%0.79157%0.569SS**THydrogen-bonded Turntrans-78.5-17.2179.6-165.3172.9176-176.40114.7K111K111-K113 PolarHBondContact O-N 2.7Å; K111-K113 VanDerWaalsContact O-N 3.09Å
114N46.3Very low51.4Low132 Ų132115.7 Ų115.771%0.70661%0.606SS**  trans-100.524-167.2-67.10.1000115.5L116N114-L116 VanDerWaalsContact C-N 3.31Å; N114-L116 PolarHBondContact O-N 3.07Å
115V46.8Very low50.8Low108 Ų108121.4 Ų121.466%0.65563%0.633SS**G310 helixtrans-78.2-5.4-167.6-178.40000114.7T117V115-T117 PolarHBondContact O-N 2.97Å
116L46.9Very low50.3Low162 Ų162132.1 Ų132.185%0.84867%0.665SS**G310 helixtrans-79.7-4.3-172.5-73.5169.7000116.1N114N114-L116 VanDerWaalsContact C-N 3.31Å; N114-L116 PolarHBondContact O-N 3.07Å
117T47.6Very low50.3Low117 Ų117137 Ų13772%0.71868%0.679SS**G310 helixtrans-88.6-9.5-174.649.90000115.7V115V115-T117 PolarHBondContact O-N 2.97Å
118N42.9Very low50.5Low144 Ų144142.8 Ų142.877%0.7770%0.701SS**SBendtrans-95.88.4-170.2-76.118.5000115.3L120N118-L120 PolarHBondContact O-N 3.27Å
119V50.3Low50.4Low122 Ų122147.4 Ų147.474%0.73973%0.731SS**THydrogen-bonded Turntrans-83.2-7.3-171.6-178.80000113.9
120L46.4Very low50.8Low158 Ų158151.7 Ų151.783%0.82775%0.749SS**THydrogen-bonded Turntrans-119.822.9-166.5-65.7176.8000116.6N118N118-L120 PolarHBondContact O-N 3.27Å
121R44.7Very low51.7Low228 Ų228152.9 Ų152.986%0.8676%0.755SS**  trans-133.8108.6171.8-75.2-168.7172.8108-1112.8D123R121-D123 PolarHBondContact O-N 2.88Å
122P44.8Very low52.6Low140 Ų140150.4 Ų150.491%0.90975%0.751SS**  trans-84.385.4168.934-30000109
123D37.2Very low53.7Low108 Ų108150.9 Ų150.958%0.57876%0.758SS**  trans-109.5125.5170.2-17316.3000110.7R121 H125R121-D123 PolarHBondContact O-N 2.88Å; D123-H125 IonicContact OD1-CD2 3.72Å; D123-H125 IonicContact OD1-CE1 2.69Å; D123-H125 IonicContact OD1-CG 3.76Å; D123-H125 IonicContact OD1-ND1 2.69Å; D123-H125 IonicContact OD1-NE2 3.08Å; D123-H125 IonicContact OD2-CD2 3.57Å; D123-H125 PolarHBondContact OD2-CD2 3.11Å; D123-H125 IonicContact OD2-CG 3.76Å; D123-H125 IonicContact OD2-NE2 3.46Å
124N45.6Very low54.9Low158 Ų158145.2 Ų145.285%0.84574%0.742SS**  trans-107.531-162.9-149.410000111.7R126N124-R126 PolarHBondContact O-N 3.23Å
125H53.6Low56.2Low143 Ų143140.9 Ų140.966%0.66272%0.717SS**  trans-67.2119.9172.6-70.8-24.3000110.4D123 K127D123-H125 IonicContact OD1-CD2 3.72Å; D123-H125 IonicContact OD1-CE1 2.69Å; D123-H125 IonicContact OD1-CG 3.76Å; D123-H125 IonicContact OD1-ND1 2.69Å; D123-H125 IonicContact OD1-NE2 3.08Å; D123-H125 IonicContact OD2-CD2 3.57Å; D123-H125 PolarHBondContact OD2-CD2 3.11Å; D123-H125 IonicContact OD2-CG 3.76Å; D123-H125 IonicContact OD2-NE2 3.46Å; H125-K127 PolarHBondContact O-N 3.03Å
126R52.9Low57.7Low249 Ų249139.4 Ų139.494%0.9471%0.71SS**  trans-49.9100.8178.2-69.7178.1176.8165.8-1.7109.6N124 K128N124-R126 PolarHBondContact O-N 3.23Å; R126-K128 PolarHBondContact O-N 3.45Å
127K57.2Low59.2Low198 Ų198138 Ų13886%0.86170%0.699SS**  trans-61.7110.4179.2-65.8-176.1-178.5178.90107.8H125H125-K127 PolarHBondContact O-N 3.03Å
128K59.6Low60.8Low193 Ų193136.5 Ų136.584%0.83969%0.687SS**  trans-47.6131.5170.4-145168.4-175177.50106.9R126 H130R126-K128 PolarHBondContact O-N 3.45Å; K128-H130 PolarHBondContact O-N 2.89Å
129P59.7Low62.7Low114 Ų114136.1 Ų136.174%0.7468%0.678SS**  trans-53.7122.3-173.120.6-32.5000109.2I131P129-I131 PolarHBondContact O-N 3.42Å; P129-I131 VanDerWaalsContact O-N 3.14Å
130H66.2Low64.4Low152 Ų152136 Ų13670%0.70467%0.665SS**  trans-65.4115.2-174.9-178.3-83.1000108.3K128 V132K128-H130 PolarHBondContact O-N 2.89Å; H130-V132 WeakPolarHBondContact O-CG2 3.48Å; H130-V132 PolarHBondContact O-N 2.82Å
131I75.2Confident66.5Low142 Ų142132.6 Ų132.673%0.72865%0.652SS**  trans-70109179.5-60.3177.5000107.6P129 I133P129-I131 PolarHBondContact O-N 3.42Å; P129-I131 VanDerWaalsContact O-N 3.14Å; I131-I133 HydrophobicContact CG2-CG1 4.18Å; I131-I133 PolarHBondContact O-N 3.47Å
132V74.6Confident68.8Low87 Ų87125.3 Ų125.353%0.52763%0.633SS.*  trans-84.995.4-179.5-178.80000108.8Y101 H130Y101-V132 HydrophobicContact CD2-CG1 3.49Å; Y101-V132 VanDerWaalsContact CD2-CG1 3.49Å; Y101-V132 HydrophobicContact CE2-CG1 3.2Å; H130-V132 WeakPolarHBondContact O-CG2 3.48Å; H130-V132 PolarHBondContact O-N 2.82Å
133I77.4Confident71.2Confident132 Ų132120.6 Ų120.668%0.67760%0.603SS**PPolyproline II helixtrans-83.6124.1169.7-55.9178.1000107.7Y101 I131Y101-I133 WeakPolarHBondContact CB-O 3.47Å; Y101-I133 VanDerWaalsContact CG-O 3.3Å; I131-I133 HydrophobicContact CG2-CG1 4.18Å; I131-I133 PolarHBondContact O-N 3.47Å
134S77.1Confident74Confident63 Ų63117.5 Ų117.544%0.44159%0.59SS.*PPolyproline II helixtrans-73.8161.1-179.458.20000112.4
135M74.3Confident76.4Confident40 Ų40112.6 Ų112.620%0.19756%0.563CS.*PPolyproline II helixtrans-58.1143.5165.7-62.6-48.6-73.400109.6L59 P71 Y101 F104 Q137L59-M135 HydrophobicContact CD1-CG 4.46Å; P71-M135 HydrophobicContact CB-CG 4.34Å; P71-M135 HydrophobicContact CG-CE 3.96Å; P71-M135 HydrophobicContact CG-CG 4.45Å; Y101-M135 HydrophobicContact CD1-CG 3.84Å; Y101-M135 VanDerWaalsContact CD1-N 3.31Å; Y101-M135 HydrophobicContact CD1-SD 4.12Å; Y101-M135 HydrophobicContact CE1-CG 4.3Å; F104-M135 HydrophobicContact CB-CE 3.67Å; F104-M135 HydrophobicContact CB-SD 3.84Å; F104-M135 HydrophobicContact CD2-SD 4.45Å; F104-M135 HydrophobicContact CG-CE 4.33Å; F104-M135 HydrophobicContact CG-SD 4.21Å; M135-Q137 PolarHBondContact O-N 3.15Å; M135-Q137 PolarHBondContact O-NE2 3.1Å
136P77.7Confident78.4Confident77 Ų77107.6 Ų107.650%0.554%0.541SS..PPolyproline II helixtrans-56.3137.4171.2-22.132.5000110.9N73 F139N73-P136 PolarHBondContact ND2-O 3.39Å; P136-F139 HydrophobicContact CB-CE1 4.35Å; P136-F139 HydrophobicContact CB-CE2 3.73Å; P136-F139 HydrophobicContact CB-CZ 3.54Å; P136-F139 HydrophobicContact CG-CZ 4.18Å
137Q78.6Confident80.3Confident133 Ų13398.8 Ų98.862%0.62151%0.513SS*.  trans-122.7161.7-176.9-74.5162.15100109.3M135 F139M135-Q137 PolarHBondContact O-N 3.15Å; M135-Q137 PolarHBondContact O-NE2 3.1Å; Q137-F139 PolarHBondContact O-N 2.89Å
138D81.3Confident81.9Confident86 Ų8693.5 Ų93.546%0.4650%0.497SS..  trans55.444.9174.2-153.737.7000114.7R140 Y163D138-R140 PolarHBondContact O-N 3.33Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 IonicContact OD1-CZ 2.81Å; D138-R140 IonicContact OD1-NE 3.58Å; D138-R140 PolarHBondContact OD1-NE 3.48Å; D138-R140 IonicContact OD1-NH2 3.48Å; D138-R140 PolarHBondContact OD1-NH2 3.3Å; D138-R140 IonicContact OD2-CZ 2.75Å; D138-R140 IonicContact OD2-NE 3.83Å; D138-R140 PolarHBondContact OD2-NE 3.06Å; D138-R140 IonicContact OD2-NH2 3.55Å; D138-R140 PolarHBondContact OD2-NH2 2.77Å; D138-Y163 PolarHBondContact OD2-OH 3.14Å
139F82.8Confident83.4Confident135 Ų13590.2 Ų90.259%0.59249%0.488SS*.  trans-58.4115.6172.9-76-85.6000110.8P136 Q137P136-F139 HydrophobicContact CB-CE1 4.35Å; P136-F139 HydrophobicContact CB-CE2 3.73Å; P136-F139 HydrophobicContact CB-CZ 3.54Å; P136-F139 HydrophobicContact CG-CZ 4.18Å; Q137-F139 PolarHBondContact O-N 2.89Å
140R85.6Confident85.1Confident119 Ų11991 Ų9145%0.44949%0.485SS..  trans-129.8134.3176.6-65.1175-170.5-89.1-5.1109.8D138 V142 Y163D138-R140 PolarHBondContact O-N 3.33Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 IonicContact OD1-CZ 2.81Å; D138-R140 IonicContact OD1-NE 3.58Å; D138-R140 PolarHBondContact OD1-NE 3.48Å; D138-R140 IonicContact OD1-NH2 3.48Å; D138-R140 PolarHBondContact OD1-NH2 3.3Å; D138-R140 IonicContact OD2-CZ 2.75Å; D138-R140 IonicContact OD2-NE 3.83Å; D138-R140 PolarHBondContact OD2-NE 3.06Å; D138-R140 IonicContact OD2-NH2 3.55Å; D138-R140 PolarHBondContact OD2-NH2 2.77Å; R140-V142 PolarHBondContact O-N 2.78Å; R140-Y163 VanDerWaalsContact CZ-CZ 3.45Å; R140-Y163 VanDerWaalsContact NE-CE2 3.29Å; R140-Y163 VanDerWaalsContact NE-CZ 3.26Å; R140-Y163 PolarHBondContact NE-OH 3.03Å; R140-Y163 VanDerWaalsContact NH1-CE2 3.3Å; R140-Y163 PolarHBondContact NH2-OH 2.9Å
141P90.4Very high86.4Confident88 Ų8885.3 Ų85.357%0.57146%0.459SS*.  trans-63.9134.6167.829-33.4000108.8Y161P141-Y161 HydrophobicContact CB-CD2 3.96Å; P141-Y161 HydrophobicContact CB-CE2 3.97Å; P141-Y161 HydrophobicContact CG-CD2 4.25Å; P141-Y161 HydrophobicContact CG-CE2 4.29Å; P141-Y161 HydrophobicContact CG-CG 4.34Å; P141-Y161 VanDerWaalsContact O-CB 3.22Å; P141-Y161 WeakPolarHBondContact O-CB 3.2Å
142V93.2Very high87.2Confident75 Ų7582 Ų8246%0.45545%0.448SS..  trans-105.6-47-178.8179.90000110.5R140 Y161 L202 T206R140-V142 PolarHBondContact O-N 2.78Å; V142-Y161 PolarHBondContact O-N 2.74Å; V142-L202 HydrophobicContact CG1-CD1 3.43Å; V142-L202 VanDerWaalsContact CG1-CD1 3.43Å; V142-T206 HydrophobicContact CG1-CG2 4.24Å
143S95.4Very high88Confident41 Ų4185.1 Ų85.129%0.28746%0.456SS..EExtended strand (participates in β ladder)trans-155.5166.5175.466.30000112.5R159 T206S143-R159 CarbonylContact C-O 3.57Å; S143-R159 WeakPolarHBondContact CA-O 3.49Å; S143-R159 WeakPolarHBondContact CB-O 3.45Å; S143-T206 VanDerWaalsContact CB-CG2 3.49Å; S143-T206 VanDerWaalsContact OG-CG2 3.28Å; S143-T206 WeakPolarHBondContact OG-CG2 3.38Å
144S95.8Very high88.6Confident43 Ų4381.3 Ų81.330%0.30144%0.439SS..EExtended strand (participates in β ladder)trans-156.1146170.556.20000110.5R159S144-R159 PolarHBondContact N-O 3.09Å; S144-R159 PolarHBondContact O-N 2.95Å
145I95.8Very high89.5Confident54 Ų5480.1 Ų80.128%0.27743%0.426SS..EExtended strand (participates in β ladder)trans-82.6136.9163.6-49.9175.4000107.8V148 R156 R157 L208 V255I145-V148 HydrophobicContact CB-CG2 4.45Å; I145-V148 HydrophobicContact CG2-CG2 3.56Å; I145-R156 HydrophobicContact CG2-CG 4.07Å; I145-R157 WeakPolarHBondContact CA-O 3.48Å; I145-L208 HydrophobicContact CD1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CD1 3.95Å; I145-L208 HydrophobicContact CG1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CG 4.49Å; I145-V255 HydrophobicContact CD1-CG2 3.56Å
146I95.3Very high90.5Very high39 Ų3979.1 Ų79.120%0.242%0.421CS..EExtended strand (participates in β ladder)trans-128165178.663.6173.9000110.8V148 R157 I243I146-V148 PolarHBondContact O-N 2.71Å; I146-V148 VanDerWaalsContact O-N 3.09Å; I146-R157 HydrophobicContact CD1-CG 3.88Å; I146-R157 HydrophobicContact CG1-CB 4Å; I146-R157 HydrophobicContact CG1-CG 3.61Å; I146-R157 PolarHBondContact N-O 3.36Å; I146-I243 HydrophobicContact CD1-CD1 4.38Å; I146-I243 HydrophobicContact CD1-CG1 4.5Å; I146-I243 HydrophobicContact CD1-CG2 3.89Å
147D93.4Very high91.4Very high63 Ų6377.4 Ų77.434%0.33740%0.404SS..  trans5923.5170-58.5-28.2000115.9D149 I150 L151 R157D147-D149 VanDerWaalsContact C-N 3.27Å; D147-D149 PolarHBondContact O-N 3.33Å; D147-I150 HydrophobicContact CB-CD1 3.87Å; D147-I150 HydrophobicContact CB-CG1 3.66Å; D147-I150 WeakPolarHBondContact O-CG1 3.46Å; D147-I150 PolarHBondContact O-N 3.23Å; D147-I150 VanDerWaalsContact O-N 3.11Å; D147-L151 HydrophobicContact CB-CD1 3.83Å; D147-L151 HydrophobicContact CB-CG 4.18Å; D147-L151 WeakPolarHBondContact O-CB 3.44Å; D147-L151 WeakPolarHBondContact O-CG 3.23Å; D147-L151 PolarHBondContact O-N 3.46Å; D147-R157 VanDerWaalsContact OD2-CD 3.23Å; D147-R157 WeakPolarHBondContact OD2-CD 3.41Å; D147-R157 IonicContact OD2-CZ 3.53Å; D147-R157 IonicContact OD2-NE 2.7Å; D147-R157 IonicContact OD2-NH1 3.66Å; D147-R157 PolarHBondContact OD2-NH1 3.1Å
148V91Very high92.3Very high87 Ų8771 Ų7153%0.52737%0.374SS..THydrogen-bonded Turntrans-56.5-35.8-177.7-177.60000113I145 I146I145-V148 HydrophobicContact CB-CG2 4.45Å; I145-V148 HydrophobicContact CG2-CG2 3.56Å; I146-V148 PolarHBondContact O-N 2.71Å; I146-V148 VanDerWaalsContact O-N 3.09Å
149D91.3Very high93.1Very high124 Ų12470.3 Ų70.366%0.66337%0.365SS*.THydrogen-bonded Turntrans-84.1-12.2-178.7-70.8-66.3000114.5D147 R257D147-D149 VanDerWaalsContact C-N 3.27Å; D147-D149 PolarHBondContact O-N 3.33Å; D149-R257 IonicContact OD1-CZ 3.59Å; D149-R257 IonicContact OD1-NH2 3.79Å; D149-R257 PolarHBondContact OD1-NH2 3.08Å
150I93.9Very high93.7Very high131 Ų13163.9 Ų63.967%0.67234%0.337SS*.THydrogen-bonded Turntrans-112.7-15.2-178.265.7169.1000113.6D147D147-I150 HydrophobicContact CB-CD1 3.87Å; D147-I150 HydrophobicContact CB-CG1 3.66Å; D147-I150 WeakPolarHBondContact O-CG1 3.46Å; D147-I150 PolarHBondContact O-N 3.23Å; D147-I150 VanDerWaalsContact O-N 3.11Å
151L93.3Very high94.2Very high32 Ų3261.2 Ų61.217%0.16833%0.328CS..SBendtrans-89.2151.9175.1-72.2167.3000111.3D147 H155 R157 T245D147-L151 HydrophobicContact CB-CD1 3.83Å; D147-L151 HydrophobicContact CB-CG 4.18Å; D147-L151 WeakPolarHBondContact O-CB 3.44Å; D147-L151 WeakPolarHBondContact O-CG 3.23Å; D147-L151 PolarHBondContact O-N 3.46Å; L151-H155 HydrophobicContact CB-CB 4.45Å; L151-R157 HydrophobicContact CD1-CB 3.39Å; L151-R157 HydrophobicContact CD1-CG 4.5Å; L151-T245 HydrophobicContact CD2-CG2 4.47Å
152P93.9Very high94.2Very high74 Ų7458.5 Ų58.548%0.48131%0.307SS..  trans-64144.5171.8-13.627.2000110.5T154 H155P152-T154 PolarHBondContact O-N 3.13Å; P152-H155 WeakPolarHBondContact O-CB 3.35Å; P152-H155 PolarHBondContact O-N 2.97Å
153E89.8Confident93.8Very high152 Ų15261.5 Ų61.571%0.7131%0.311SS*.THydrogen-bonded Turntrans-56.4-21.4-175.4-177.2170.3-159.400114.8H155 N254E153-H155 PolarHBondContact O-N 2.66Å; E153-N254 PolarHBondContact O-ND2 3.01Å
154T91.8Very high93Very high51 Ų5161.5 Ų61.531%0.31332%0.318SS..THydrogen-bonded Turntrans-78.8-1.3174.556.90000114.3P152 P248P152-T154 PolarHBondContact O-N 3.13Å; T154-P248 WeakPolarHBondContact O-CD 3.32Å
155H93.9Very high91.8Very high38 Ų3864.1 Ų64.118%0.17633%0.332CS..  trans-115162.8-176.5-60.264.6000110.8L151 P152 E153 L216 V246 N254L151-H155 HydrophobicContact CB-CB 4.45Å; P152-H155 WeakPolarHBondContact O-CB 3.35Å; P152-H155 PolarHBondContact O-N 2.97Å; E153-H155 PolarHBondContact O-N 2.66Å; H155-L216 WeakPolarHBondContact CD2-CD1 3.32Å; H155-L216 WeakPolarHBondContact NE2-CD1 3.41Å; H155-V246 CarbonylContact C-O 3.46Å; H155-V246 WeakPolarHBondContact CA-O 3.37Å; H155-N254 PolarHBondContact O-ND2 2.92Å; H155-N254 VanDerWaalsContact O-ND2 3.08Å
156R95.5Very high90.8Very high19 Ų1969.1 Ų69.17%0.07235%0.354CS..EExtended strand (participates in β ladder)trans-147.6124.9172.9-174-170.6-58.8-169.5-3.3108.8I145 V158 L208 T245 V246 P248 N253 N254I145-R156 HydrophobicContact CG2-CG 4.07Å; R156-V158 HydrophobicContact CG-CG2 3.77Å; R156-L208 WeakPolarHBondContact CD-O 3.28Å; R156-L208 PolarHBondContact NH1-O 3.24Å; R156-T245 WeakPolarHBondContact O-CA 3.48Å; R156-V246 HydrophobicContact CB-CG2 4.2Å; R156-V246 PolarHBondContact N-O 2.67Å; R156-V246 PolarHBondContact O-N 2.99Å; R156-P248 HydrophobicContact CB-CG 4.11Å; R156-N253 VanDerWaalsContact NH2-C 3.31Å; R156-N253 PolarHBondContact NH2-O 2.93Å; R156-N254 VanDerWaalsContact CZ-OD1 3.31Å; R156-N254 PolarHBondContact NE-OD1 3.35Å; R156-N254 VanDerWaalsContact NH2-CA 3.35Å; R156-N254 PolarHBondContact NH2-OD1 2.81Å
157R97.3Very high90.3Very high41 Ų4174.7 Ų74.716%0.15538%0.377CS..EExtended strand (participates in β ladder)trans-101.4116.3170.9-172.4178.3-75.2164.6-4.1109.4I145 I146 D147 L151 E217 I243 I244 T245I145-R157 WeakPolarHBondContact CA-O 3.48Å; I146-R157 HydrophobicContact CD1-CG 3.88Å; I146-R157 HydrophobicContact CG1-CB 4Å; I146-R157 HydrophobicContact CG1-CG 3.61Å; I146-R157 PolarHBondContact N-O 3.36Å; D147-R157 VanDerWaalsContact OD2-CD 3.23Å; D147-R157 WeakPolarHBondContact OD2-CD 3.41Å; D147-R157 IonicContact OD2-CZ 3.53Å; D147-R157 IonicContact OD2-NE 2.7Å; D147-R157 IonicContact OD2-NH1 3.66Å; D147-R157 PolarHBondContact OD2-NH1 3.1Å; L151-R157 HydrophobicContact CD1-CB 3.39Å; L151-R157 HydrophobicContact CD1-CG 4.5Å; R157-E217 IonicContact CZ-OE2 3.3Å; R157-E217 IonicContact NE-OE2 3.86Å; R157-E217 IonicContact NH2-OE1 2.76Å; R157-E217 IonicContact NH2-OE2 3.58Å; R157-E217 PolarHBondContact NH2-OE2 3.04Å; R157-I243 HydrophobicContact CG-CG2 3.65Å; R157-I244 WeakPolarHBondContact CA-O 3.32Å; R157-T245 HydrophobicContact CB-CG2 4.49Å; R157-T245 WeakPolarHBondContact CG-OG1 3.34Å; R157-T245 PolarHBondContact NE-OG1 3.2Å
158V97.3Very high90.2Very high0 Ų074.4 Ų74.40%038%0.378CS..EExtended strand (participates in β ladder)trans-109.9130-175.7-179.10000108.6R156 L160 L208 L209 I243 I244R156-V158 HydrophobicContact CG-CG2 3.77Å; V158-L160 HydrophobicContact CG1-CD2 3.78Å; V158-L160 HydrophobicContact CG1-CG 4.11Å; V158-L208 HydrophobicContact CG1-CB 3.86Å; V158-L208 HydrophobicContact CG1-CD1 3.76Å; V158-L208 HydrophobicContact CG1-CG 4.48Å; V158-L208 HydrophobicContact CG2-CB 3.94Å; V158-L209 HydrophobicContact CB-CD2 4.38Å; V158-L209 HydrophobicContact CG2-CD2 4.05Å; V158-I243 WeakPolarHBondContact O-CA 3.11Å; V158-I244 HydrophobicContact CB-CG2 4.05Å; V158-I244 PolarHBondContact N-O 2.8Å; V158-I244 PolarHBondContact O-N 3.29Å
159R97.8Very high90.3Very high71 Ų7170.7 Ų70.727%0.26836%0.355SS..EExtended strand (participates in β ladder)trans-100.8128.5168.8-170.1172.8-163171.511.2109.4S143 S144 Y161 N241 L242 I243S143-R159 CarbonylContact C-O 3.57Å; S143-R159 WeakPolarHBondContact CA-O 3.49Å; S143-R159 WeakPolarHBondContact CB-O 3.45Å; S144-R159 PolarHBondContact N-O 3.09Å; S144-R159 PolarHBondContact O-N 2.95Å; R159-Y161 WeakPolarHBondContact CD-OH 3.48Å; R159-Y161 HydrophobicContact CG-CE2 4.01Å; R159-Y161 PolarHBondContact NE-OH 2.83Å; R159-Y161 PolarHBondContact NH1-OH 2.95Å; R159-N241 PolarHBondContact NE-OD1 3.15Å; R159-N241 PolarHBondContact NH2-ND2 3.02Å; R159-N241 PolarHBondContact NH2-OD1 2.74Å; R159-L242 CarbonylContact C-O 3.45Å; R159-L242 VanDerWaalsContact CA-O 3.29Å; R159-L242 WeakPolarHBondContact CA-O 3.43Å; R159-I243 HydrophobicContact CB-CG1 4.3Å; R159-I243 HydrophobicContact CG-CG1 3.9Å
160L96.5Very high90.5Very high0 Ų064.9 Ų64.90%033%0.325CS..EExtended strand (participates in β ladder)trans-118131.2176.9-61.4-177.3000110.3V158 F171 L202 T206 L209 L242V158-L160 HydrophobicContact CG1-CD2 3.78Å; V158-L160 HydrophobicContact CG1-CG 4.11Å; L160-F171 HydrophobicContact CD1-CE1 4.37Å; L160-L202 HydrophobicContact CB-CD2 4.32Å; L160-T206 HydrophobicContact CD2-CG2 3.87Å; L160-L209 HydrophobicContact CD1-CD1 4.02Å; L160-L242 HydrophobicContact CB-CB 4.43Å; L160-L242 HydrophobicContact CD1-CD2 4.46Å; L160-L242 PolarHBondContact N-O 2.75Å; L160-L242 PolarHBondContact O-N 3.08Å
161Y94.8Very high90.7Very high63 Ų6358.9 Ų58.925%0.24729%0.294CS..EExtended strand (participates in β ladder)trans-107106.8174.8-65-85.9000108.9P141 V142 R159 Y163P141-Y161 HydrophobicContact CB-CD2 3.96Å; P141-Y161 HydrophobicContact CB-CE2 3.97Å; P141-Y161 HydrophobicContact CG-CD2 4.25Å; P141-Y161 HydrophobicContact CG-CE2 4.29Å; P141-Y161 HydrophobicContact CG-CG 4.34Å; P141-Y161 VanDerWaalsContact O-CB 3.22Å; P141-Y161 WeakPolarHBondContact O-CB 3.2Å; V142-Y161 PolarHBondContact O-N 2.74Å; R159-Y161 WeakPolarHBondContact CD-OH 3.48Å; R159-Y161 HydrophobicContact CG-CE2 4.01Å; R159-Y161 PolarHBondContact NE-OH 2.83Å; R159-Y161 PolarHBondContact NH1-OH 2.95Å; Y161-Y163 PolarHBondContact O-N 3.4Å
162K91.7Very high90.9Very high30 Ų3058.4 Ų58.413%0.1329%0.29CS..  trans-76.8119.6176.8170.5177.5154158.40109.8G164 T165 K167 L169 L202 S239 R240K162-G164 WeakPolarHBondContact CE-O 3.43Å; K162-T165 WeakPolarHBondContact CE-O 3.29Å; K162-T165 PolarHBondContact NZ-O 2.82Å; K162-K167 VanDerWaalsContact CD-O 3.23Å; K162-K167 WeakPolarHBondContact CD-O 3.5Å; K162-K167 WeakPolarHBondContact CE-O 3.36Å; K162-K167 PolarHBondContact NZ-O 3.06Å; K162-L169 HydrophobicContact CB-CD2 4.43Å; K162-L202 HydrophobicContact CB-CD2 4.33Å; K162-S239 WeakPolarHBondContact CB-O 3.27Å; K162-R240 PolarHBondContact N-O 2.76Å
163Y84.9Confident91.1Very high138 Ų13855.3 Ų55.354%0.54127%0.269SS..  trans-94.1130.7172-177.3-136.5000111.6D138 R140 Y161D138-Y163 PolarHBondContact OD2-OH 3.14Å; R140-Y163 VanDerWaalsContact CZ-CZ 3.45Å; R140-Y163 VanDerWaalsContact NE-CE2 3.29Å; R140-Y163 VanDerWaalsContact NE-CZ 3.26Å; R140-Y163 PolarHBondContact NE-OH 3.03Å; R140-Y163 VanDerWaalsContact NH1-CE2 3.3Å; R140-Y163 PolarHBondContact NH2-OH 2.9Å; Y161-Y163 PolarHBondContact O-N 3.4Å
164G77.6Confident91.5Very high42 Ų4252.2 Ų52.243%0.43325%0.251SS..SBendtrans78.5149.2-171.700000112.7K162K162-G164 WeakPolarHBondContact CE-O 3.43Å
165T70.8Confident91.7Very high97 Ų9754.2 Ų54.260%0.59526%0.26SS*.SBendtrans-73.1-32.1177.638.60000112.6K162 L372K162-T165 WeakPolarHBondContact CE-O 3.29Å; K162-T165 PolarHBondContact NZ-O 2.82Å; T165-L372 WeakPolarHBondContact O-CD1 3.22Å
166E76Confident91.7Very high160 Ų16053.5 Ų53.575%0.74826%0.263SS*.SBendtrans-89.1-23.5-166.8-59.1-174.3169.500114.9L372E166-L372 VanDerWaalsContact O-CD1 3.27Å; E166-L372 WeakPolarHBondContact O-CD1 3.18Å
167K84.9Confident91.6Very high155 Ų15556.5 Ų56.567%0.67429%0.287SS*.SBendtrans-77.2130.2-179.1-68.4-171.6175.9-175.30110.9K162K162-K167 VanDerWaalsContact CD-O 3.23Å; K162-K167 WeakPolarHBondContact CD-O 3.5Å; K162-K167 WeakPolarHBondContact CE-O 3.36Å; K162-K167 PolarHBondContact NZ-O 3.06Å
168P90.6Very high91.4Very high57 Ų5755 Ų5537%0.3728%0.282SS..  trans-70.2166174.729.8-35.1000111.2G170P168-G170 PolarHBondContact O-N 2.87Å; P168-G170 VanDerWaalsContact O-N 3.15Å
169L93.6Very high91.1Very high9 Ų959 Ų595%0.04731%0.307CS..  trans-62.9-16.6174.1-70.8162.9000113.1K162 F171 L202 A203 L242K162-L169 HydrophobicContact CB-CD2 4.43Å; L169-F171 HydrophobicContact CB-CD1 3.89Å; L169-F171 HydrophobicContact CB-CE1 3.69Å; L169-F171 HydrophobicContact CD1-CE1 4.13Å; L169-F171 HydrophobicContact CG-CE1 4.44Å; L169-L202 HydrophobicContact CD2-CD2 4.26Å; L169-L202 WeakPolarHBondContact O-CB 3.04Å; L169-A203 WeakPolarHBondContact O-CB 3.48Å; L169-A203 PolarHBondContact O-N 2.98Å; L169-L242 HydrophobicContact CD1-CD2 3.89Å; L169-L242 HydrophobicContact CD2-CB 4.46Å; L169-L242 HydrophobicContact CD2-CD2 4.32Å
170G94.6Very high90.6Very high2 Ų259 Ų592%0.02131%0.307CS..SBendtrans81.923.2171.700000114.9P168 V198P168-G170 PolarHBondContact O-N 2.87Å; P168-G170 VanDerWaalsContact O-N 3.15Å; G170-V198 PolarHBondContact O-N 2.81Å
171F97.3Very high90.3Very high5 Ų565 Ų652%0.02234%0.344CS..EExtended strand (participates in β ladder)trans-144.4164.1170.370.7-82.8000110.4L160 L169 I173 I194 R196 L197 A203 L209 M235 L242 I244L160-F171 HydrophobicContact CD1-CE1 4.37Å; L169-F171 HydrophobicContact CB-CD1 3.89Å; L169-F171 HydrophobicContact CB-CE1 3.69Å; L169-F171 HydrophobicContact CD1-CE1 4.13Å; L169-F171 HydrophobicContact CG-CE1 4.44Å; F171-I173 HydrophobicContact CD2-CG2 4.2Å; F171-I173 HydrophobicContact CE2-CG2 3.97Å; F171-I194 HydrophobicContact CB-CG2 4.35Å; F171-I194 HydrophobicContact CD2-CD1 4.25Å; F171-I194 HydrophobicContact CD2-CG1 4.24Å; F171-R196 WeakPolarHBondContact CA-O 3.04Å; F171-L197 HydrophobicContact CB-CD2 3.58Å; F171-A203 HydrophobicContact CB-CB 3.91Å; F171-A203 HydrophobicContact CD1-CB 3.67Å; F171-A203 HydrophobicContact CG-CB 4.18Å; F171-L209 HydrophobicContact CD1-CD1 4.36Å; F171-L209 HydrophobicContact CE1-CD1 4.31Å; F171-M235 HydrophobicContact CE2-CE 4.19Å; F171-M235 HydrophobicContact CE2-SD 3.69Å; F171-M235 HydrophobicContact CZ-CE 4.38Å; F171-M235 HydrophobicContact CZ-SD 3.66Å; F171-L242 HydrophobicContact CE1-CD2 4.17Å; F171-L242 HydrophobicContact CZ-CD2 4.04Å; F171-I244 HydrophobicContact CE2-CD1 4.29Å; F171-I244 HydrophobicContact CZ-CD1 4.15Å
172Y97.6Very high90Very high22 Ų2263.6 Ų63.69%0.08634%0.341CS..EExtended strand (participates in β ladder)trans-128.6153.5177.9-59.9-95.7000109.3I194 S195 R196 V198 I369Y172-I194 CarbonylContact O-C 3.47Å; Y172-I194 WeakPolarHBondContact O-CA 3.29Å; Y172-S195 VanDerWaalsContact C-OG 3.29Å; Y172-S195 VanDerWaalsContact CB-OG 3.3Å; Y172-S195 WeakPolarHBondContact CB-OG 3.46Å; Y172-S195 PolarHBondContact O-N 3.16Å; Y172-S195 PolarHBondContact O-OG 2.83Å; Y172-R196 HydrophobicContact CD2-CG 3.58Å; Y172-R196 HydrophobicContact CE2-CG 4.41Å; Y172-R196 VanDerWaalsContact CE2-NH1 3.32Å; Y172-R196 HydrophobicContact CG-CG 3.94Å; Y172-R196 VanDerWaalsContact CZ-CZ 3.4Å; Y172-R196 PolarHBondContact N-O 2.83Å; Y172-V198 HydrophobicContact CD2-CG2 4.39Å; Y172-V198 HydrophobicContact CE2-CG2 3.47Å; Y172-V198 VanDerWaalsContact CE2-CG2 3.47Å; Y172-I369 HydrophobicContact CE1-CB 4.09Å; Y172-I369 HydrophobicContact CE1-CG2 3.59Å
173I98.2Very high89.9Confident9 Ų968.4 Ų68.45%0.04638%0.376CS..EExtended strand (participates in β ladder)trans-115.8161.4176.852.5172.6000110.6F171 I192 F193 V215 L228 V231 M235F171-I173 HydrophobicContact CD2-CG2 4.2Å; F171-I173 HydrophobicContact CE2-CG2 3.97Å; I173-I192 HydrophobicContact CB-CG2 3.81Å; I173-I192 HydrophobicContact CD1-CG2 3.94Å; I173-I192 HydrophobicContact CG1-CG2 4.41Å; I173-I192 HydrophobicContact CG2-CG2 4.08Å; I173-F193 CarbonylContact C-O 3.57Å; I173-F193 VanDerWaalsContact CA-O 3.22Å; I173-F193 WeakPolarHBondContact CA-O 3.46Å; I173-V215 HydrophobicContact CG2-CG2 4.25Å; I173-L228 HydrophobicContact CB-CD1 4.21Å; I173-L228 HydrophobicContact CD1-CD1 3.87Å; I173-L228 HydrophobicContact CG1-CD1 3.8Å; I173-V231 HydrophobicContact CD1-CB 4.32Å; I173-V231 HydrophobicContact CD1-CG1 3.85Å; I173-M235 HydrophobicContact CD1-CE 4.25Å; I173-M235 HydrophobicContact CD1-SD 4.17Å; I173-M235 HydrophobicContact CG2-CE 4.19Å; I173-M235 HydrophobicContact CG2-SD 4.44Å
174R97.9Very high90Very high88 Ų8869.6 Ų69.633%0.33239%0.386SS..EExtended strand (participates in β ladder)trans-145.7160.5173.861.8174.4175.969.81.9109.8F193 N212R174-F193 HydrophobicContact CG-CB 4.3Å; R174-F193 PolarHBondContact N-O 3.14Å; R174-F193 PolarHBondContact O-N 3.3Å; R174-N212 PolarHBondContact NH2-OD1 3.09Å
175D97.1Very high90.7Very high92 Ų9269.1 Ų69.149%0.49238%0.381SS..EExtended strand (participates in β ladder)trans-68.1163.4163.4-70-51.6000112I192D175-I192 VanDerWaalsContact OD1-CD1 3.27Å; D175-I192 WeakPolarHBondContact OD1-CD1 3.38Å
176G94.8Very high91.8Very high24 Ų2470.8 Ų70.825%0.24739%0.386CS..EExtended strand (participates in β ladder)trans-176.6-169175.300000110.9G191G176-G191 CarbonylContact C-O 3.6Å; G176-G191 PolarHBondContact N-O 3.27Å; G176-G191 PolarHBondContact O-N 3.46Å
177S93.5Very high92.6Very high81 Ų8167 Ų6757%0.56637%0.368SS*.EExtended strand (participates in β ladder)trans-126126176-51.70000110.5V189S177-V189 CarbonylContact C-O 3.53Å; S177-V189 VanDerWaalsContact CA-O 3.29Å; S177-V189 WeakPolarHBondContact CA-O 3.24Å
178S91.3Very high93Very high9 Ų967.7 Ų67.76%0.06337%0.371CS..EExtended strand (participates in β ladder)trans-96.3135.3169.9-170.70000108.8V189 E214S178-V189 PolarHBondContact N-O 3.02Å; S178-V189 WeakPolarHBondContact O-CG2 3.33Å; S178-V189 PolarHBondContact O-N 2.7Å; S178-E214 VanDerWaalsContact CB-OE1 3.31Å; S178-E214 WeakPolarHBondContact CB-OE1 3.23Å; S178-E214 PolarHBondContact OG-OE1 3.27Å; S178-E214 VanDerWaalsContact OG-OE1 3.05Å; S178-E214 PolarHBondContact OG-OE2 3.19Å
179V90.9Very high93.1Very high84 Ų8466.6 Ų66.651%0.50936%0.363SS..EExtended strand (participates in β ladder)trans-87.2119.8173.3-1800000107.7L186 E187 K188V179-L186 HydrophobicContact CG1-CD1 3.72Å; V179-L186 HydrophobicContact CG1-CD2 3.85Å; V179-L186 HydrophobicContact CG1-CG 3.57Å; V179-E187 WeakPolarHBondContact CA-O 3.18Å; V179-K188 HydrophobicContact CG2-CG 4.12Å
180R89.1Confident93.2Very high71 Ų7171.5 Ų71.527%0.26840%0.395SS..EExtended strand (participates in β ladder)trans-126.6150.8-179.2-64.5-168.7-177.4-178.1-1.2111E187 V189 E214R180-E187 PolarHBondContact N-O 2.81Å; R180-E187 PolarHBondContact O-N 2.54Å; R180-V189 HydrophobicContact CB-CG2 4.38Å; R180-V189 HydrophobicContact CG-CG2 3.86Å; R180-E214 IonicContact CZ-OE1 3.54Å; R180-E214 IonicContact NE-OE1 3.54Å; R180-E214 IonicContact NH2-OE1 2.71Å; R180-E214 PolarHBondContact NH2-OE1 2.94Å
181V89.6Confident93.2Very high128 Ų12871.8 Ų71.878%0.77640%0.398SS*.EExtended strand (participates in β ladder)trans-82.5112.2166.2-177.60000107.1G185 L186V181-G185 WeakPolarHBondContact CA-O 3.5Å; V181-L186 HydrophobicContact CG2-CD1 3.9Å
182T87.4Confident93.2Very high32 Ų3271.8 Ų71.820%0.19640%0.399CS..EExtended strand (participates in β ladder)trans-105.2169.9172.875.20000109H184 G185 E187T182-H184 PolarHBondContact O-N 2.93Å; T182-H184 PolarHBondContact OG1-N 2.86Å; T182-G185 PolarHBondContact N-O 3.04Å; T182-G185 PolarHBondContact O-N 2.93Å; T182-G185 VanDerWaalsContact O-N 3.07Å; T182-G185 PolarHBondContact OG1-O 3.41Å; T182-E187 WeakPolarHBondContact CB-OE2 3.41Å; T182-E187 HydrophobicContact CG2-CB 4.06Å; T182-E187 HydrophobicContact CG2-CG 4.43Å; T182-E187 VanDerWaalsContact CG2-OE2 3.23Å; T182-E187 WeakPolarHBondContact CG2-OE2 3.2Å; T182-E187 PolarHBondContact OG1-OE2 2.81Å
183P89.5Confident93.3Very high132 Ų13271.8 Ų71.886%0.85740%0.399SS*.THydrogen-bonded Turntrans-58.4-17.7174.8-26.336.6000114.7
184H87.4Confident93.3Very high162 Ų16271.3 Ų71.375%0.7540%0.397SS*.THydrogen-bonded Turntrans-96.4-5.6179.6-54.8104.3000113.4T182T182-H184 PolarHBondContact O-N 2.93Å; T182-H184 PolarHBondContact OG1-N 2.86Å
185G92.5Very high93.3Very high33 Ų3368.8 Ų68.834%0.3439%0.393SS..EExtended strand (participates in β ladder)trans132.4-147177.200000113.1V181 T182V181-G185 WeakPolarHBondContact CA-O 3.5Å; T182-G185 PolarHBondContact N-O 3.04Å; T182-G185 PolarHBondContact O-N 2.93Å; T182-G185 VanDerWaalsContact O-N 3.07Å; T182-G185 PolarHBondContact OG1-O 3.41Å
186L93.7Very high93.3Very high132 Ų13269.7 Ų69.769%0.69139%0.389SS*.EExtended strand (participates in β ladder)trans-95.1106.1177.9-165.178.1000109.5V179 V181V179-L186 HydrophobicContact CG1-CD1 3.72Å; V179-L186 HydrophobicContact CG1-CD2 3.85Å; V179-L186 HydrophobicContact CG1-CG 3.57Å; V181-L186 HydrophobicContact CG2-CD1 3.9Å
187E93.8Very high93.3Very high80 Ų8070.3 Ų70.337%0.37439%0.387SS..EExtended strand (participates in β ladder)trans-117.1146.2-173.1-66.5-178.7143.300111.9V179 R180 T182V179-E187 WeakPolarHBondContact CA-O 3.18Å; R180-E187 PolarHBondContact N-O 2.81Å; R180-E187 PolarHBondContact O-N 2.54Å; T182-E187 WeakPolarHBondContact CB-OE2 3.41Å; T182-E187 HydrophobicContact CG2-CB 4.06Å; T182-E187 HydrophobicContact CG2-CG 4.43Å; T182-E187 VanDerWaalsContact CG2-OE2 3.23Å; T182-E187 WeakPolarHBondContact CG2-OE2 3.2Å; T182-E187 PolarHBondContact OG1-OE2 2.81Å
188K93.1Very high93.5Very high170 Ų17068.2 Ų68.274%0.73937%0.37SS*.EExtended strand (participates in β ladder)trans-86.2108.5168.6-73.7-179.7178.9-178.30108.3V179V179-K188 HydrophobicContact CG2-CG 4.12Å
189V92.9Very high93.6Very high34 Ų3473.1 Ų73.121%0.20640%0.402CS..EExtended strand (participates in β ladder)trans-99.9148.1174.9-59.20000110.5S177 S178 R180S177-V189 CarbonylContact C-O 3.53Å; S177-V189 VanDerWaalsContact CA-O 3.29Å; S177-V189 WeakPolarHBondContact CA-O 3.24Å; S178-V189 PolarHBondContact N-O 3.02Å; S178-V189 WeakPolarHBondContact O-CG2 3.33Å; S178-V189 PolarHBondContact O-N 2.7Å; R180-V189 HydrophobicContact CB-CG2 4.38Å; R180-V189 HydrophobicContact CG-CG2 3.86Å
190P94.4Very high93.7Very high111 Ų11172.2 Ų72.272%0.72141%0.409SS*.EExtended strand (participates in β ladder)trans-56.3142.9167.8-23.434.4000111.3
191G95.8Very high93.9Very high8 Ų869.3 Ų69.38%0.08240%0.402CS..EExtended strand (participates in β ladder)trans-155.1154.4177.500000111.8G176 F193G176-G191 CarbonylContact C-O 3.6Å; G176-G191 PolarHBondContact N-O 3.27Å; G176-G191 PolarHBondContact O-N 3.46Å; G191-F193 VanDerWaalsContact O-CD2 3.31Å; G191-F193 WeakPolarHBondContact O-CD2 3.47Å; G191-F193 WeakPolarHBondContact O-CE2 3.39Å
192I98.1Very high94.1Very high5 Ų564.8 Ų64.83%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-98135.3-179.9-54.4-57.4000109I173 D175 E214 V215 V223 L228 V231I173-I192 HydrophobicContact CB-CG2 3.81Å; I173-I192 HydrophobicContact CD1-CG2 3.94Å; I173-I192 HydrophobicContact CG1-CG2 4.41Å; I173-I192 HydrophobicContact CG2-CG2 4.08Å; D175-I192 VanDerWaalsContact OD1-CD1 3.27Å; D175-I192 WeakPolarHBondContact OD1-CD1 3.38Å; I192-E214 CarbonylContact O-C 3.54Å; I192-V215 HydrophobicContact CB-CB 4.21Å; I192-V215 HydrophobicContact CG2-CB 4.18Å; I192-V215 HydrophobicContact CG2-CG2 4.3Å; I192-V215 PolarHBondContact O-N 2.9Å; I192-V223 HydrophobicContact CB-CG2 4.39Å; I192-V223 HydrophobicContact CG1-CB 4.44Å; I192-V223 HydrophobicContact CG1-CG2 4.17Å; I192-L228 HydrophobicContact CD1-CD1 4Å; I192-L228 HydrophobicContact CG2-CD1 4.28Å; I192-V231 HydrophobicContact CG1-CG2 4.23Å; I192-V231 HydrophobicContact CG2-CG1 4.34Å
193F98.3Very high94.5Very high22 Ų2263.3 Ų63.310%0.09636%0.364CS..EExtended strand (participates in β ladder)trans-131.2147.4-176.9-63.3-94.6000111.1I173 R174 G191 S195 D213 E214I173-F193 CarbonylContact C-O 3.57Å; I173-F193 VanDerWaalsContact CA-O 3.22Å; I173-F193 WeakPolarHBondContact CA-O 3.46Å; R174-F193 HydrophobicContact CG-CB 4.3Å; R174-F193 PolarHBondContact N-O 3.14Å; R174-F193 PolarHBondContact O-N 3.3Å; G191-F193 VanDerWaalsContact O-CD2 3.31Å; G191-F193 WeakPolarHBondContact O-CD2 3.47Å; G191-F193 WeakPolarHBondContact O-CE2 3.39Å; F193-S195 PolarHBondContact O-N 2.81Å; F193-D213 WeakPolarHBondContact CA-O 3.44Å; F193-E214 HydrophobicContact CD1-CB 3.95Å; F193-E214 HydrophobicContact CD1-CG 4.43Å; F193-E214 HydrophobicContact CE1-CB 3.67Å; F193-E214 HydrophobicContact CE1-CG 3.91Å; F193-E214 HydrophobicContact CZ-CB 4.39Å; F193-E214 HydrophobicContact CZ-CG 4.12Å
194I98.1Very high94.7Very high0 Ų061.3 Ų61.30%034%0.343CS..EExtended strand (participates in β ladder)trans-68.8117.1169.7-60.8-175.1000108.9F171 Y172 L197 L209 A210 N212 D213 V215F171-I194 HydrophobicContact CB-CG2 4.35Å; F171-I194 HydrophobicContact CD2-CD1 4.25Å; F171-I194 HydrophobicContact CD2-CG1 4.24Å; Y172-I194 CarbonylContact O-C 3.47Å; Y172-I194 WeakPolarHBondContact O-CA 3.29Å; I194-L197 HydrophobicContact CG2-CD2 3.95Å; I194-L209 HydrophobicContact CD1-CB 3.91Å; I194-L209 HydrophobicContact CD1-CD1 4.22Å; I194-L209 HydrophobicContact CD1-CD2 4.19Å; I194-L209 HydrophobicContact CD1-CG 4.33Å; I194-A210 WeakPolarHBondContact CB-O 3.47Å; I194-N212 PolarHBondContact O-N 2.87Å; I194-D213 HydrophobicContact CD1-CB 4.17Å; I194-D213 HydrophobicContact CG1-CB 4.41Å; I194-D213 PolarHBondContact N-O 2.92Å; I194-V215 HydrophobicContact CG1-CG2 4.19Å
195S97.8Very high95Very high35 Ų3557.7 Ų57.725%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-84.6-42.5-177.452.20000112.9Y172 F193 V211Y172-S195 VanDerWaalsContact C-OG 3.29Å; Y172-S195 VanDerWaalsContact CB-OG 3.3Å; Y172-S195 WeakPolarHBondContact CB-OG 3.46Å; Y172-S195 PolarHBondContact O-N 3.16Å; Y172-S195 PolarHBondContact O-OG 2.83Å; F193-S195 PolarHBondContact O-N 2.81Å; S195-V211 VanDerWaalsContact O-CG1 3.26Å; S195-V211 WeakPolarHBondContact O-CG1 3.35Å
196R96.9Very high95.1Very high110 Ų11057.3 Ų57.342%0.41533%0.327SS..EExtended strand (participates in β ladder)trans-157156.4-179.550.4165.4-173.3135.5-4.2111.6F171 Y172F171-R196 WeakPolarHBondContact CA-O 3.04Å; Y172-R196 HydrophobicContact CD2-CG 3.58Å; Y172-R196 HydrophobicContact CE2-CG 4.41Å; Y172-R196 VanDerWaalsContact CE2-NH1 3.32Å; Y172-R196 HydrophobicContact CG-CG 3.94Å; Y172-R196 VanDerWaalsContact CZ-CZ 3.4Å; Y172-R196 PolarHBondContact N-O 2.83Å
197L96.4Very high95.1Very high38 Ų3853.8 Ų53.820%0.19932%0.323CS..EExtended strand (participates in β ladder)trans-108.4144.9172.3-59.4179.2000109.9F171 I194 A203 Q204 V211F171-L197 HydrophobicContact CB-CD2 3.58Å; I194-L197 HydrophobicContact CG2-CD2 3.95Å; L197-A203 HydrophobicContact CD2-CB 4.21Å; L197-Q204 HydrophobicContact CB-CB 4.23Å; L197-Q204 HydrophobicContact CB-CG 4.47Å; L197-Q204 HydrophobicContact CD1-CB 4.38Å; L197-Q204 HydrophobicContact CD1-CG 4.3Å; L197-V211 HydrophobicContact CG-CG2 4.1Å
198V96.1Very high95.2Very high37 Ų3751.2 Ų51.222%0.22431%0.311CS..  trans-77.9126.9172.41770000109.2G170 Y172 G200 G201 Q204G170-V198 PolarHBondContact O-N 2.81Å; Y172-V198 HydrophobicContact CD2-CG2 4.39Å; Y172-V198 HydrophobicContact CE2-CG2 3.47Å; Y172-V198 VanDerWaalsContact CE2-CG2 3.47Å; V198-G200 PolarHBondContact O-N 2.98Å; V198-G201 WeakPolarHBondContact O-CA 3.28Å; V198-G201 PolarHBondContact O-N 3.3Å; V198-Q204 WeakPolarHBondContact O-CB 3.4Å
199P94.4Very high95.3Very high111 Ų11143.4 Ų43.472%0.72128%0.277SS*.THydrogen-bonded Turntrans-55.9124.9171.1-26.436.2000112G201 Q204P199-G201 PolarHBondContact O-N 3.22Å; P199-Q204 VanDerWaalsContact CA-OE1 3.3Å
200G92.3Very high95.5Very high65 Ų6543.4 Ų43.467%0.6728%0.281SS*.THydrogen-bonded Turntrans686.5-174.100000114.8V198V198-G200 PolarHBondContact O-N 2.98Å
201G93.2Very high95.6Very high10 Ų1040.9 Ų40.910%0.10326%0.263CS..  trans-71.1164.6175.500000112.4V198 P199 A203 Q204 S205V198-G201 WeakPolarHBondContact O-CA 3.28Å; V198-G201 PolarHBondContact O-N 3.3Å; P199-G201 PolarHBondContact O-N 3.22Å; G201-A203 PolarHBondContact O-N 2.83Å; G201-Q204 PolarHBondContact O-N 3.2Å; G201-S205 WeakPolarHBondContact O-CB 3.43Å; G201-S205 PolarHBondContact O-N 3.3Å; G201-S205 PolarHBondContact O-OG 2.74Å
202L94.2Very high95.6Very high34 Ų3444.4 Ų44.418%0.17828%0.281CS..Hα-helixtrans-56-55.6-178.8173.163.8000111.5V142 L160 K162 L169 Q204 S205 T206V142-L202 HydrophobicContact CG1-CD1 3.43Å; V142-L202 VanDerWaalsContact CG1-CD1 3.43Å; L160-L202 HydrophobicContact CB-CD2 4.32Å; K162-L202 HydrophobicContact CB-CD2 4.33Å; L169-L202 HydrophobicContact CD2-CD2 4.26Å; L169-L202 WeakPolarHBondContact O-CB 3.04Å; L202-Q204 PolarHBondContact O-N 3.07Å; L202-S205 PolarHBondContact O-N 3.15Å; L202-T206 HydrophobicContact CD1-CG2 4.32Å; L202-T206 WeakPolarHBondContact O-CG2 3.45Å; L202-T206 PolarHBondContact O-N 3.46Å; L202-T206 VanDerWaalsContact O-N 3.15Å
203A95.3Very high95.6Very high0 Ų044.3 Ų44.30%028%0.28CS..Hα-helixtrans-55.9-47.7-18000000113.2L169 F171 L197 G201 S205 T206 L209L169-A203 WeakPolarHBondContact O-CB 3.48Å; L169-A203 PolarHBondContact O-N 2.98Å; F171-A203 HydrophobicContact CB-CB 3.91Å; F171-A203 HydrophobicContact CD1-CB 3.67Å; F171-A203 HydrophobicContact CG-CB 4.18Å; L197-A203 HydrophobicContact CD2-CB 4.21Å; G201-A203 PolarHBondContact O-N 2.83Å; A203-S205 PolarHBondContact O-N 3.33Å; A203-T206 PolarHBondContact O-N 2.75Å; A203-T206 PolarHBondContact O-OG1 3.03Å; A203-L209 HydrophobicContact CB-CD1 4.11Å
204Q94.7Very high95.5Very high90 Ų9043.7 Ų43.742%0.42128%0.277SS..Hα-helixtrans-61.1-44.9177.3-163.7-164.445.800111.8L197 V198 P199 G201 L202 T206 G207L197-Q204 HydrophobicContact CB-CB 4.23Å; L197-Q204 HydrophobicContact CB-CG 4.47Å; L197-Q204 HydrophobicContact CD1-CB 4.38Å; L197-Q204 HydrophobicContact CD1-CG 4.3Å; V198-Q204 WeakPolarHBondContact O-CB 3.4Å; P199-Q204 VanDerWaalsContact CA-OE1 3.3Å; G201-Q204 PolarHBondContact O-N 3.2Å; L202-Q204 PolarHBondContact O-N 3.07Å; Q204-T206 PolarHBondContact O-N 2.93Å; Q204-G207 PolarHBondContact O-N 2.81Å
205S93.8Very high95.5Very high86 Ų8643.8 Ų43.860%0.60128%0.278SS*.Hα-helixtrans-63.5-24-177.9-56.40000113.2G201 L202 A203G201-S205 WeakPolarHBondContact O-CB 3.43Å; G201-S205 PolarHBondContact O-N 3.3Å; G201-S205 PolarHBondContact O-OG 2.74Å; L202-S205 PolarHBondContact O-N 3.15Å; A203-S205 PolarHBondContact O-N 3.33Å
206T93.3Very high95.5Very high25 Ų2542.9 Ų42.915%0.15327%0.27CS..Hα-helixtrans-79.1-24.7174.766.30000113.5V142 S143 L160 L202 A203 Q204 L208V142-T206 HydrophobicContact CG1-CG2 4.24Å; S143-T206 VanDerWaalsContact CB-CG2 3.49Å; S143-T206 VanDerWaalsContact OG-CG2 3.28Å; S143-T206 WeakPolarHBondContact OG-CG2 3.38Å; L160-T206 HydrophobicContact CD2-CG2 3.87Å; L202-T206 HydrophobicContact CD1-CG2 4.32Å; L202-T206 WeakPolarHBondContact O-CG2 3.45Å; L202-T206 PolarHBondContact O-N 3.46Å; L202-T206 VanDerWaalsContact O-N 3.15Å; A203-T206 PolarHBondContact O-N 2.75Å; A203-T206 PolarHBondContact O-OG1 3.03Å; Q204-T206 PolarHBondContact O-N 2.93Å; T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 PolarHBondContact OG1-N 3.37Å
207G94.2Very high95.5Very high58 Ų5839.6 Ų39.660%0.59826%0.26SS*.  trans62.35.6-171.100000115Q204Q204-G207 PolarHBondContact O-N 2.81Å
208L95.3Very high95.6Very high26 Ų2637.8 Ų37.814%0.13625%0.25CS..SBendtrans-86.9-15.9-174.4-64.2-175.5000113.7I145 R156 V158 T206I145-L208 HydrophobicContact CD1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CD1 3.95Å; I145-L208 HydrophobicContact CG1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CG 4.49Å; R156-L208 WeakPolarHBondContact CD-O 3.28Å; R156-L208 PolarHBondContact NH1-O 3.24Å; V158-L208 HydrophobicContact CG1-CB 3.86Å; V158-L208 HydrophobicContact CG1-CD1 3.76Å; V158-L208 HydrophobicContact CG1-CG 4.48Å; V158-L208 HydrophobicContact CG2-CB 3.94Å; T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 PolarHBondContact OG1-N 3.37Å
209L96.2Very high95.7Very high6 Ų638.5 Ų38.53%0.03125%0.253CS..  trans-124141.9178.2-61.6177.6000109.7V158 L160 F171 I194 A203 I244 V246V158-L209 HydrophobicContact CB-CD2 4.38Å; V158-L209 HydrophobicContact CG2-CD2 4.05Å; L160-L209 HydrophobicContact CD1-CD1 4.02Å; F171-L209 HydrophobicContact CD1-CD1 4.36Å; F171-L209 HydrophobicContact CE1-CD1 4.31Å; I194-L209 HydrophobicContact CD1-CB 3.91Å; I194-L209 HydrophobicContact CD1-CD1 4.22Å; I194-L209 HydrophobicContact CD1-CD2 4.19Å; I194-L209 HydrophobicContact CD1-CG 4.33Å; A203-L209 HydrophobicContact CB-CD1 4.11Å; L209-I244 HydrophobicContact CD1-CG2 4.32Å; L209-I244 HydrophobicContact CD2-CG2 4.14Å; L209-V246 HydrophobicContact CD2-CG1 3.94Å; L209-V246 HydrophobicContact CD2-CG2 4.04Å
210A96Very high95.7Very high34 Ų3436.1 Ų36.128%0.28125%0.248SC..  trans-128.1162.7178.300000112.1I194 D213I194-A210 WeakPolarHBondContact CB-O 3.47Å; A210-D213 PolarHBondContact N-OD2 2.76Å; A210-D213 WeakPolarHBondContact O-CB 3.31Å; A210-D213 VanDerWaalsContact O-CG 3.28Å; A210-D213 PolarHBondContact O-N 2.88Å
211V96.5Very high96Very high58 Ų5837 Ų3735%0.35224%0.237SC..THydrogen-bonded Turntrans-65.7140.8170.8179.10000109.7S195 L197 D213S195-V211 VanDerWaalsContact O-CG1 3.26Å; S195-V211 WeakPolarHBondContact O-CG1 3.35Å; L197-V211 HydrophobicContact CG-CG2 4.1Å; V211-D213 VanDerWaalsContact C-N 3.29Å
212N96.5Very high96.2Very high83 Ų8342.1 Ų42.144%0.44426%0.258SS..THydrogen-bonded Turntrans71.55-172.5-53.6-54.9000116.4R174 I194 E214 A249R174-N212 PolarHBondContact NH2-OD1 3.09Å; I194-N212 PolarHBondContact O-N 2.87Å; N212-E214 PolarHBondContact O-N 2.93Å; N212-A249 HydrophobicContact CB-CB 3.98Å
213D97.3Very high96.3Very high2 Ų240.9 Ų40.91%0.01125%0.252CS..PPolyproline II helixtrans-60.8130.2167.6-70.3-6.1000109.9F193 I194 A210 V211 V246 P248 A249F193-D213 WeakPolarHBondContact CA-O 3.44Å; I194-D213 HydrophobicContact CD1-CB 4.17Å; I194-D213 HydrophobicContact CG1-CB 4.41Å; I194-D213 PolarHBondContact N-O 2.92Å; A210-D213 PolarHBondContact N-OD2 2.76Å; A210-D213 WeakPolarHBondContact O-CB 3.31Å; A210-D213 VanDerWaalsContact O-CG 3.28Å; A210-D213 PolarHBondContact O-N 2.88Å; V211-D213 VanDerWaalsContact C-N 3.29Å; D213-V246 HydrophobicContact CB-CB 4.28Å; D213-V246 HydrophobicContact CB-CG2 4.49Å; D213-P248 VanDerWaalsContact OD1-CA 3.24Å; D213-P248 WeakPolarHBondContact OD1-CA 3.27Å; D213-A249 PolarHBondContact OD1-N 2.87Å
214E97.4Very high96.2Very high9 Ų943.8 Ų43.84%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-80.3119.7177.2-177.3-175.7166.100108.5S178 R180 I192 F193 N212 L216 V246 R247S178-E214 VanDerWaalsContact CB-OE1 3.31Å; S178-E214 WeakPolarHBondContact CB-OE1 3.23Å; S178-E214 PolarHBondContact OG-OE1 3.27Å; S178-E214 VanDerWaalsContact OG-OE1 3.05Å; S178-E214 PolarHBondContact OG-OE2 3.19Å; R180-E214 IonicContact CZ-OE1 3.54Å; R180-E214 IonicContact NE-OE1 3.54Å; R180-E214 IonicContact NH2-OE1 2.71Å; R180-E214 PolarHBondContact NH2-OE1 2.94Å; I192-E214 CarbonylContact O-C 3.54Å; F193-E214 HydrophobicContact CD1-CB 3.95Å; F193-E214 HydrophobicContact CD1-CG 4.43Å; F193-E214 HydrophobicContact CE1-CB 3.67Å; F193-E214 HydrophobicContact CE1-CG 3.91Å; F193-E214 HydrophobicContact CZ-CB 4.39Å; F193-E214 HydrophobicContact CZ-CG 4.12Å; N212-E214 PolarHBondContact O-N 2.93Å; E214-L216 HydrophobicContact CG-CD2 3.93Å; E214-V246 CarbonylContact O-C 3.53Å; E214-V246 WeakPolarHBondContact O-CA 3.33Å; E214-V246 WeakPolarHBondContact O-CB 3.46Å; E214-R247 HydrophobicContact CB-CB 4.25Å; E214-R247 PolarHBondContact N-O 2.92Å; E214-R247 PolarHBondContact O-N 2.91Å; E214-R247 IonicContact OE1-NH1 3.66Å; E214-R247 IonicContact OE2-CZ 2.88Å; E214-R247 IonicContact OE2-NE 2.71Å; E214-R247 IonicContact OE2-NH1 3.84Å; E214-R247 PolarHBondContact OE2-NH1 2.9Å
215V98Very high96.1Very high2 Ų243.7 Ų43.71%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-79.1134.6174.9-176.70000109I173 I192 I194 V218 V223 M235 I244 V246I173-V215 HydrophobicContact CG2-CG2 4.25Å; I192-V215 HydrophobicContact CB-CB 4.21Å; I192-V215 HydrophobicContact CG2-CB 4.18Å; I192-V215 HydrophobicContact CG2-CG2 4.3Å; I192-V215 PolarHBondContact O-N 2.9Å; I194-V215 HydrophobicContact CG1-CG2 4.19Å; V215-V218 HydrophobicContact CG1-CG2 4.3Å; V215-V223 HydrophobicContact CG1-CG1 4.11Å; V215-V223 HydrophobicContact CG1-CG2 4.46Å; V215-V223 WeakPolarHBondContact O-CG2 3.23Å; V215-M235 HydrophobicContact CG1-CE 3.83Å; V215-M235 HydrophobicContact CG2-CE 4.35Å; V215-I244 HydrophobicContact CG1-CD1 3.94Å; V215-I244 HydrophobicContact CG1-CG1 3.99Å; V215-I244 HydrophobicContact CG2-CD1 4.02Å; V215-V246 HydrophobicContact CG2-CG1 4.38Å
216L97.3Very high96.2Very high16 Ų1643 Ų438%0.08428%0.282CS..EExtended strand (participates in β ladder)trans-123.3-39.5-173.2-61.5173.6000112.4H155 E214 E222 V223 T245 R247H155-L216 WeakPolarHBondContact CD2-CD1 3.32Å; H155-L216 WeakPolarHBondContact NE2-CD1 3.41Å; E214-L216 HydrophobicContact CG-CD2 3.93Å; L216-E222 WeakPolarHBondContact O-CA 3.43Å; L216-V223 PolarHBondContact O-N 2.96Å; L216-T245 PolarHBondContact N-O 2.84Å; L216-R247 HydrophobicContact CD1-CB 3.83Å
217E98Very high96.4Very high42 Ų4244.1 Ų44.120%0.19629%0.291CS..EExtended strand (participates in β ladder)trans-142.2148.5178.4-50.3169.2145.200111.1R157 I221 E222 I244 T245R157-E217 IonicContact CZ-OE2 3.3Å; R157-E217 IonicContact NE-OE2 3.86Å; R157-E217 IonicContact NH2-OE1 2.76Å; R157-E217 IonicContact NH2-OE2 3.58Å; R157-E217 PolarHBondContact NH2-OE2 3.04Å; E217-I221 CarbonylContact C-O 3.42Å; E217-I221 VanDerWaalsContact CA-O 3.29Å; E217-I221 WeakPolarHBondContact CA-O 3.37Å; E217-E222 HydrophobicContact CG-CG 4.35Å; E217-I244 WeakPolarHBondContact O-CA 3.4Å; E217-T245 PolarHBondContact N-O 2.96Å; E217-T245 PolarHBondContact O-N 3.37Å; E217-T245 WeakPolarHBondContact OE2-CB 3.16Å; E217-T245 PolarHBondContact OE2-OG1 2.84Å
218V98.1Very high96.6Very high0 Ų042.5 Ų42.50%027%0.268CS..EExtended strand (participates in β ladder)trans-127.8120.6168.81760000108.7V215 G220 I221 V223 V231 M234 M235 L242V215-V218 HydrophobicContact CG1-CG2 4.3Å; V218-G220 PolarHBondContact O-N 3.49Å; V218-G220 VanDerWaalsContact O-N 3.14Å; V218-I221 PolarHBondContact N-O 3.03Å; V218-I221 WeakPolarHBondContact O-CB 3.49Å; V218-I221 PolarHBondContact O-N 3.26Å; V218-V223 HydrophobicContact CG2-CG1 4.1Å; V218-V231 HydrophobicContact CG2-CG1 4.42Å; V218-M234 HydrophobicContact CB-CE 3.95Å; V218-M234 HydrophobicContact CG1-CB 4.21Å; V218-M235 HydrophobicContact CG1-CG 4.08Å; V218-M235 HydrophobicContact CG2-CE 3.62Å; V218-M235 HydrophobicContact CG2-CG 3.91Å; V218-L242 HydrophobicContact CG1-CD1 3.77Å
219N97.3Very high96.7Very high51 Ų5145.8 Ų45.827%0.27329%0.286SS..THydrogen-bonded Turntrans47.938.1-178.3-73.849.1000114.1N238 N241 I243N219-N238 VanDerWaalsContact CG-CG 3.47Å; N219-N238 WeakPolarHBondContact ND2-CB 2.99Å; N219-N238 VanDerWaalsContact ND2-CG 3.34Å; N219-N238 PolarHBondContact ND2-OD1 3.31Å; N219-N241 PolarHBondContact ND2-O 3.02Å; N219-N241 VanDerWaalsContact ND2-O 3.16Å; N219-I243 PolarHBondContact N-O 3.34Å; N219-I243 PolarHBondContact OD1-N 3.46Å; N219-I243 PolarHBondContact OD1-O 2.89Å
220G95.6Very high96.7Very high61 Ų6150.2 Ų50.263%0.62931%0.307SS*.THydrogen-bonded Turntrans84.87179.800000115.1V218V218-G220 PolarHBondContact O-N 3.49Å; V218-G220 VanDerWaalsContact O-N 3.14Å
221I97.4Very high96.8Very high84 Ų8448.6 Ų48.643%0.43129%0.293SS..EExtended strand (participates in β ladder)trans-107121.3174.8-52.4174.6000108.3E217 V218 K226 M234E217-I221 CarbonylContact C-O 3.42Å; E217-I221 VanDerWaalsContact CA-O 3.29Å; E217-I221 WeakPolarHBondContact CA-O 3.37Å; V218-I221 PolarHBondContact N-O 3.03Å; V218-I221 WeakPolarHBondContact O-CB 3.49Å; V218-I221 PolarHBondContact O-N 3.26Å; I221-K226 VanDerWaalsContact CG2-CE 3.49Å; I221-M234 HydrophobicContact CB-CE 3.67Å; I221-M234 HydrophobicContact CD1-CE 4.3Å; I221-M234 HydrophobicContact CG2-CE 3.68Å; I221-M234 HydrophobicContact CG2-SD 4.35Å
222E97.2Very high96.9Very high118 Ų11846.5 Ų46.555%0.55128%0.28SS*.EExtended strand (participates in β ladder)trans-59.4143.8173.6-73.7-169.6-147.600112.1L216 E217 S224 K226L216-E222 WeakPolarHBondContact O-CA 3.43Å; E217-E222 HydrophobicContact CG-CG 4.35Å; E222-S224 PolarHBondContact OE2-OG 2.85Å; E222-S224 VanDerWaalsContact OE2-OG 3.09Å; E222-K226 WeakPolarHBondContact O-CE 3.17Å
223V96.9Very high96.9Very high8 Ų847.4 Ų47.45%0.04829%0.285CS..  trans-90.5-9174.5-51.40000113.4I192 V215 L216 V218 G225 K226 V231I192-V223 HydrophobicContact CB-CG2 4.39Å; I192-V223 HydrophobicContact CG1-CB 4.44Å; I192-V223 HydrophobicContact CG1-CG2 4.17Å; V215-V223 HydrophobicContact CG1-CG1 4.11Å; V215-V223 HydrophobicContact CG1-CG2 4.46Å; V215-V223 WeakPolarHBondContact O-CG2 3.23Å; L216-V223 PolarHBondContact O-N 2.96Å; V218-V223 HydrophobicContact CG2-CG1 4.1Å; V223-G225 PolarHBondContact O-N 2.81Å; V223-K226 WeakPolarHBondContact O-CB 2.89Å; V223-K226 PolarHBondContact O-N 3.36Å; V223-K226 VanDerWaalsContact O-N 3.08Å; V223-V231 HydrophobicContact CB-CG1 4.42Å; V223-V231 HydrophobicContact CB-CG2 3.77Å; V223-V231 HydrophobicContact CG1-CG1 3.83Å; V223-V231 HydrophobicContact CG1-CG2 3.89Å
224S93.7Very high96.9Very high60 Ų6048.7 Ų48.742%0.4229%0.291SS..THydrogen-bonded Turntrans-51.2118.6176.4-52.50000111.2E222 K226E222-S224 PolarHBondContact OE2-OG 2.85Å; E222-S224 VanDerWaalsContact OE2-OG 3.09Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 3.31Å
225G92.6Very high96.9Very high89 Ų8948.2 Ų48.292%0.91829%0.289SS*.THydrogen-bonded Turntrans76.49.8177.800000116.1V223V223-G225 PolarHBondContact O-N 2.81Å
226K96.3Very high96.7Very high71 Ų7151.5 Ų51.531%0.30931%0.306SS..  trans-91.6155.7168.8-61.9-173.2-178.3-70.20111I221 E222 V223 S224 Q230 V231 M234I221-K226 VanDerWaalsContact CG2-CE 3.49Å; E222-K226 WeakPolarHBondContact O-CE 3.17Å; V223-K226 WeakPolarHBondContact O-CB 2.89Å; V223-K226 PolarHBondContact O-N 3.36Å; V223-K226 VanDerWaalsContact O-N 3.08Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 3.31Å; K226-Q230 HydrophobicContact CB-CB 4.3Å; K226-V231 HydrophobicContact CB-CG2 3.75Å; K226-V231 HydrophobicContact CD-CG2 4.24Å; K226-M234 HydrophobicContact CD-CE 4.09Å; K226-M234 HydrophobicContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CE-SD 3.56Å
227S97Very high96.6Very high49 Ų4954.8 Ų54.834%0.34334%0.335SS..  trans-76.3158.4169.368.50000111.7D229 Q230 V231S227-D229 PolarHBondContact O-N 3.07Å; S227-Q230 PolarHBondContact O-N 2.82Å; S227-Q230 VanDerWaalsContact OG-CG 3.32Å; S227-Q230 WeakPolarHBondContact OG-CG 3.46Å; S227-Q230 PolarHBondContact OG-N 3.05Å; S227-V231 WeakPolarHBondContact O-CG2 3.2Å; S227-V231 PolarHBondContact O-N 3.49Å; S227-V231 VanDerWaalsContact O-N 3.08Å
228L97.5Very high96.5Very high24 Ų2455.4 Ų55.413%0.12634%0.34CS..Hα-helixtrans-52.5-42.1174.3-174.164000112.3I173 I192 V231 T232I173-L228 HydrophobicContact CB-CD1 4.21Å; I173-L228 HydrophobicContact CD1-CD1 3.87Å; I173-L228 HydrophobicContact CG1-CD1 3.8Å; I192-L228 HydrophobicContact CD1-CD1 4Å; I192-L228 HydrophobicContact CG2-CD1 4.28Å; L228-V231 PolarHBondContact O-N 3.05Å; L228-T232 WeakPolarHBondContact O-CB 3.19Å; L228-T232 PolarHBondContact O-N 2.93Å; L228-T232 PolarHBondContact O-OG1 2.75Å
229D97.5Very high96.3Very high94 Ų9456.4 Ų56.450%0.50335%0.347SS..Hα-helixtrans-64.9-45.4178.8-54-38000111.7S227 V231 T232 D233S227-D229 PolarHBondContact O-N 3.07Å; D229-V231 VanDerWaalsContact C-N 3.27Å; D229-V231 PolarHBondContact O-N 2.71Å; D229-T232 CarbonylContact O-C 3.58Å; D229-T232 WeakPolarHBondContact O-CA 3.41Å; D229-T232 WeakPolarHBondContact O-CB 3.29Å; D229-T232 PolarHBondContact O-N 2.98Å; D229-T232 VanDerWaalsContact O-N 3.09Å; D229-D233 PolarHBondContact O-N 2.81Å
230Q97.7Very high96.1Very high100 Ų10063.2 Ų63.247%0.46737%0.369SS..Hα-helixtrans-60.4-38.5176.7-73.5171.9-4.600112.1K226 S227 M234K226-Q230 HydrophobicContact CB-CB 4.3Å; S227-Q230 PolarHBondContact O-N 2.82Å; S227-Q230 VanDerWaalsContact OG-CG 3.32Å; S227-Q230 WeakPolarHBondContact OG-CG 3.46Å; S227-Q230 PolarHBondContact OG-N 3.05Å; Q230-M234 WeakPolarHBondContact O-CB 3.48Å; Q230-M234 WeakPolarHBondContact O-CG 3.49Å; Q230-M234 PolarHBondContact O-N 2.83Å
231V98Very high96.1Very high0 Ų063 Ų630%035%0.354CS..Hα-helixtrans-71.3-36.8177177.50000110.6I173 I192 V218 V223 K226 S227 L228 D229 M234 M235I173-V231 HydrophobicContact CD1-CB 4.32Å; I173-V231 HydrophobicContact CD1-CG1 3.85Å; I192-V231 HydrophobicContact CG1-CG2 4.23Å; I192-V231 HydrophobicContact CG2-CG1 4.34Å; V218-V231 HydrophobicContact CG2-CG1 4.42Å; V223-V231 HydrophobicContact CB-CG1 4.42Å; V223-V231 HydrophobicContact CB-CG2 3.77Å; V223-V231 HydrophobicContact CG1-CG1 3.83Å; V223-V231 HydrophobicContact CG1-CG2 3.89Å; K226-V231 HydrophobicContact CB-CG2 3.75Å; K226-V231 HydrophobicContact CD-CG2 4.24Å; S227-V231 WeakPolarHBondContact O-CG2 3.2Å; S227-V231 PolarHBondContact O-N 3.49Å; S227-V231 VanDerWaalsContact O-N 3.08Å; L228-V231 PolarHBondContact O-N 3.05Å; D229-V231 VanDerWaalsContact C-N 3.27Å; D229-V231 PolarHBondContact O-N 2.71Å; V231-M234 PolarHBondContact O-N 2.79Å; V231-M235 HydrophobicContact CG1-CE 3.95Å; V231-M235 WeakPolarHBondContact O-CG 3.43Å; V231-M235 PolarHBondContact O-N 3.33Å
232T97.3Very high96.1Very high13 Ų1359 Ų598%0.0833%0.333CS..Hα-helixtrans-61.1-50.8172.9-60.50000111.1L228 D229 M234 M235 I236 I370L228-T232 WeakPolarHBondContact O-CB 3.19Å; L228-T232 PolarHBondContact O-N 2.93Å; L228-T232 PolarHBondContact O-OG1 2.75Å; D229-T232 CarbonylContact O-C 3.58Å; D229-T232 WeakPolarHBondContact O-CA 3.41Å; D229-T232 WeakPolarHBondContact O-CB 3.29Å; D229-T232 PolarHBondContact O-N 2.98Å; D229-T232 VanDerWaalsContact O-N 3.09Å; T232-M234 VanDerWaalsContact C-N 3.32Å; T232-M234 PolarHBondContact O-N 3.4Å; T232-M235 PolarHBondContact O-N 2.59Å; T232-M235 VanDerWaalsContact O-N 3.08Å; T232-I236 HydrophobicContact CG2-CD1 3.74Å; T232-I236 HydrophobicContact CG2-CG1 4.41Å; T232-I236 WeakPolarHBondContact O-CG1 3.26Å; T232-I236 PolarHBondContact O-N 2.96Å; T232-I370 HydrophobicContact CG2-CD1 4Å; T232-I370 HydrophobicContact CG2-CG1 3.91Å
233D97.2Very high96.1Very high103 Ų10355.2 Ų55.255%0.55132%0.316SS*.Hα-helixtrans-57.7-43.6175.8-74.2-22.4000111.9D229 M235 I236 A237D229-D233 PolarHBondContact O-N 2.81Å; D233-M235 VanDerWaalsContact C-N 3.32Å; D233-M235 PolarHBondContact O-N 3.15Å; D233-I236 PolarHBondContact O-N 3.08Å; D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.34Å; D233-A237 PolarHBondContact O-N 3.49Å
234M97.4Very high96.2Very high28 Ų2854.8 Ų54.814%0.13831%0.314CS..Hα-helixtrans-60.3-39.7175.3-77.7170.143.300112.3V218 I221 K226 Q230 V231 T232 N238V218-M234 HydrophobicContact CB-CE 3.95Å; V218-M234 HydrophobicContact CG1-CB 4.21Å; I221-M234 HydrophobicContact CB-CE 3.67Å; I221-M234 HydrophobicContact CD1-CE 4.3Å; I221-M234 HydrophobicContact CG2-CE 3.68Å; I221-M234 HydrophobicContact CG2-SD 4.35Å; K226-M234 HydrophobicContact CD-CE 4.09Å; K226-M234 HydrophobicContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CE-SD 3.56Å; Q230-M234 WeakPolarHBondContact O-CB 3.48Å; Q230-M234 WeakPolarHBondContact O-CG 3.49Å; Q230-M234 PolarHBondContact O-N 2.83Å; V231-M234 PolarHBondContact O-N 2.79Å; T232-M234 VanDerWaalsContact C-N 3.32Å; T232-M234 PolarHBondContact O-N 3.4Å; M234-N238 WeakPolarHBondContact O-CB 3.31Å; M234-N238 PolarHBondContact O-N 3.2Å; M234-N238 PolarHBondContact O-ND2 3.08Å
235M97Very high96.4Very high0 Ų052.1 Ų52.10%030%0.295CS..Hα-helixtrans-70.9-38.8175-69.4-174.3-175.800112.5F171 I173 V215 V218 V231 T232 D233 N238 S239 L242 I244F171-M235 HydrophobicContact CE2-CE 4.19Å; F171-M235 HydrophobicContact CE2-SD 3.69Å; F171-M235 HydrophobicContact CZ-CE 4.38Å; F171-M235 HydrophobicContact CZ-SD 3.66Å; I173-M235 HydrophobicContact CD1-CE 4.25Å; I173-M235 HydrophobicContact CD1-SD 4.17Å; I173-M235 HydrophobicContact CG2-CE 4.19Å; I173-M235 HydrophobicContact CG2-SD 4.44Å; V215-M235 HydrophobicContact CG1-CE 3.83Å; V215-M235 HydrophobicContact CG2-CE 4.35Å; V218-M235 HydrophobicContact CG1-CG 4.08Å; V218-M235 HydrophobicContact CG2-CE 3.62Å; V218-M235 HydrophobicContact CG2-CG 3.91Å; V231-M235 HydrophobicContact CG1-CE 3.95Å; V231-M235 WeakPolarHBondContact O-CG 3.43Å; V231-M235 PolarHBondContact O-N 3.33Å; T232-M235 PolarHBondContact O-N 2.59Å; T232-M235 VanDerWaalsContact O-N 3.08Å; D233-M235 VanDerWaalsContact C-N 3.32Å; D233-M235 PolarHBondContact O-N 3.15Å; M235-N238 CarbonylContact O-C 3.55Å; M235-N238 PolarHBondContact O-N 3.44Å; M235-S239 VanDerWaalsContact O-CA 3.28Å; M235-S239 WeakPolarHBondContact O-CA 3.34Å; M235-S239 WeakPolarHBondContact O-CB 3.22Å; M235-S239 PolarHBondContact O-N 3.41Å; M235-L242 HydrophobicContact CB-CD1 4.26Å; M235-L242 HydrophobicContact CG-CD1 4.17Å; M235-I244 HydrophobicContact CE-CD1 3.65Å; M235-I244 HydrophobicContact CE-CG1 4.44Å
236I94.2Very high96.6Very high71 Ų7147.9 Ų47.936%0.36425%0.251SS..Hα-helixtrans-65.5-49178.2-69.2168.4000110.5T232 D233 N238 S239 I370T232-I236 HydrophobicContact CG2-CD1 3.74Å; T232-I236 HydrophobicContact CG2-CG1 4.41Å; T232-I236 WeakPolarHBondContact O-CG1 3.26Å; T232-I236 PolarHBondContact O-N 2.96Å; D233-I236 PolarHBondContact O-N 3.08Å; I236-N238 PolarHBondContact O-N 3.01Å; I236-S239 WeakPolarHBondContact O-CB 3.41Å; I236-S239 PolarHBondContact O-N 3.41Å; I236-S239 PolarHBondContact O-OG 3.47Å; I236-I370 HydrophobicContact CD1-CG2 4.19Å; I236-I370 HydrophobicContact CG1-CG2 3.97Å
237A94.8Very high96.6Very high84 Ų8447.6 Ų47.669%0.69425%0.248SC*.Hα-helixtrans-58.3-35.8178.500000112.5D233D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.34Å; D233-A237 PolarHBondContact O-N 3.49Å
238N95.8Very high96.5Very high55 Ų5545.5 Ų45.529%0.29423%0.233SC..THydrogen-bonded Turntrans-95.65.8178.4-68.4-78.1000113.9N219 M234 M235 I236 R240 N241 L242N219-N238 VanDerWaalsContact CG-CG 3.47Å; N219-N238 WeakPolarHBondContact ND2-CB 2.99Å; N219-N238 VanDerWaalsContact ND2-CG 3.34Å; N219-N238 PolarHBondContact ND2-OD1 3.31Å; M234-N238 WeakPolarHBondContact O-CB 3.31Å; M234-N238 PolarHBondContact O-N 3.2Å; M234-N238 PolarHBondContact O-ND2 3.08Å; M235-N238 CarbonylContact O-C 3.55Å; M235-N238 PolarHBondContact O-N 3.44Å; I236-N238 PolarHBondContact O-N 3.01Å; N238-R240 PolarHBondContact O-N 2.81Å; N238-N241 CarbonylContact O-C 3.59Å; N238-N241 PolarHBondContact O-N 3.25Å; N238-L242 HydrophobicContact CB-CD1 4.14Å; N238-L242 PolarHBondContact O-N 2.86Å
239S93.5Very high96.1Very high22 Ų2246.8 Ų46.815%0.15425%0.247CC..THydrogen-bonded Turntrans-58.6-23.2-165.859.20000115.7K162 M235 I236K162-S239 WeakPolarHBondContact CB-O 3.27Å; M235-S239 VanDerWaalsContact O-CA 3.28Å; M235-S239 WeakPolarHBondContact O-CA 3.34Å; M235-S239 WeakPolarHBondContact O-CB 3.22Å; M235-S239 PolarHBondContact O-N 3.41Å; I236-S239 WeakPolarHBondContact O-CB 3.41Å; I236-S239 PolarHBondContact O-N 3.41Å; I236-S239 PolarHBondContact O-OG 3.47Å
240R93.2Very high95.2Very high193 Ų19347.2 Ų47.273%0.72825%0.25SC*.THydrogen-bonded Turntrans-68.9-33173.9-68.4-178.9-179.51551113.3K162 N238K162-R240 PolarHBondContact N-O 2.76Å; N238-R240 PolarHBondContact O-N 2.81Å
241N95.6Very high93.9Very high58 Ų5847.5 Ų47.531%0.3125%0.251SS..EExtended strand (participates in β ladder)trans-149.269.6-173.6-166-24.2000108.4R159 N219 N238R159-N241 PolarHBondContact NE-OD1 3.15Å; R159-N241 PolarHBondContact NH2-ND2 3.02Å; R159-N241 PolarHBondContact NH2-OD1 2.74Å; N219-N241 PolarHBondContact ND2-O 3.02Å; N219-N241 VanDerWaalsContact ND2-O 3.16Å; N238-N241 CarbonylContact O-C 3.59Å; N238-N241 PolarHBondContact O-N 3.25Å
242L97.5Very high92.3Very high0 Ų058.9 Ų58.90%029%0.294CS..EExtended strand (participates in β ladder)trans-81.3132.2-176.3-174.574.2000109.2R159 L160 L169 F171 V218 M235 N238 I244R159-L242 CarbonylContact C-O 3.45Å; R159-L242 VanDerWaalsContact CA-O 3.29Å; R159-L242 WeakPolarHBondContact CA-O 3.43Å; L160-L242 HydrophobicContact CB-CB 4.43Å; L160-L242 HydrophobicContact CD1-CD2 4.46Å; L160-L242 PolarHBondContact N-O 2.75Å; L160-L242 PolarHBondContact O-N 3.08Å; L169-L242 HydrophobicContact CD1-CD2 3.89Å; L169-L242 HydrophobicContact CD2-CB 4.46Å; L169-L242 HydrophobicContact CD2-CD2 4.32Å; F171-L242 HydrophobicContact CE1-CD2 4.17Å; F171-L242 HydrophobicContact CZ-CD2 4.04Å; V218-L242 HydrophobicContact CG1-CD1 3.77Å; M235-L242 HydrophobicContact CB-CD1 4.26Å; M235-L242 HydrophobicContact CG-CD1 4.17Å; N238-L242 HydrophobicContact CB-CD1 4.14Å; N238-L242 PolarHBondContact O-N 2.86Å; L242-I244 HydrophobicContact CD2-CB 4.33Å; L242-I244 HydrophobicContact CD2-CG2 4.49Å; L242-I244 HydrophobicContact CG-CB 4.45Å
243I98Very high90.4Very high37 Ų3764.1 Ų64.119%0.1932%0.321CS..EExtended strand (participates in β ladder)trans-116.5111.1167.6-64.3171.3000106.3I146 R157 V158 R159 N219I146-I243 HydrophobicContact CD1-CD1 4.38Å; I146-I243 HydrophobicContact CD1-CG1 4.5Å; I146-I243 HydrophobicContact CD1-CG2 3.89Å; R157-I243 HydrophobicContact CG-CG2 3.65Å; V158-I243 WeakPolarHBondContact O-CA 3.11Å; R159-I243 HydrophobicContact CB-CG1 4.3Å; R159-I243 HydrophobicContact CG-CG1 3.9Å; N219-I243 PolarHBondContact N-O 3.34Å; N219-I243 PolarHBondContact OD1-N 3.46Å; N219-I243 PolarHBondContact OD1-O 2.89Å
244I98.1Very high88.7Confident0 Ų060.3 Ų60.30%030%0.301CS..EExtended strand (participates in β ladder)trans-116.3126.3-178.4-170177.2000109.5R157 V158 F171 L209 V215 E217 M235 L242 V246R157-I244 WeakPolarHBondContact CA-O 3.32Å; V158-I244 HydrophobicContact CB-CG2 4.05Å; V158-I244 PolarHBondContact N-O 2.8Å; V158-I244 PolarHBondContact O-N 3.29Å; F171-I244 HydrophobicContact CE2-CD1 4.29Å; F171-I244 HydrophobicContact CZ-CD1 4.15Å; L209-I244 HydrophobicContact CD1-CG2 4.32Å; L209-I244 HydrophobicContact CD2-CG2 4.14Å; V215-I244 HydrophobicContact CG1-CD1 3.94Å; V215-I244 HydrophobicContact CG1-CG1 3.99Å; V215-I244 HydrophobicContact CG2-CD1 4.02Å; E217-I244 WeakPolarHBondContact O-CA 3.4Å; M235-I244 HydrophobicContact CE-CD1 3.65Å; M235-I244 HydrophobicContact CE-CG1 4.44Å; L242-I244 HydrophobicContact CD2-CB 4.33Å; L242-I244 HydrophobicContact CD2-CG2 4.49Å; L242-I244 HydrophobicContact CG-CB 4.45Å; I244-V246 HydrophobicContact CD1-CG1 3.96Å; I244-V246 HydrophobicContact CG1-CG1 3.9Å
245T97.9Very high86.9Confident3 Ų363.8 Ų63.82%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-97.2122.9169.9-52.90000108.3L151 R156 R157 L216 E217L151-T245 HydrophobicContact CD2-CG2 4.47Å; R156-T245 WeakPolarHBondContact O-CA 3.48Å; R157-T245 HydrophobicContact CB-CG2 4.49Å; R157-T245 WeakPolarHBondContact CG-OG1 3.34Å; R157-T245 PolarHBondContact NE-OG1 3.2Å; L216-T245 PolarHBondContact N-O 2.84Å; E217-T245 PolarHBondContact N-O 2.96Å; E217-T245 PolarHBondContact O-N 3.37Å; E217-T245 WeakPolarHBondContact OE2-CB 3.16Å; E217-T245 PolarHBondContact OE2-OG1 2.84Å
246V97.3Very high84.9Confident0 Ų068.2 Ų68.20%035%0.351CS..EExtended strand (participates in β ladder)trans-122.8158.7177.6-57.60000111.2H155 R156 L209 D213 E214 V215 I244 P248H155-V246 CarbonylContact C-O 3.46Å; H155-V246 WeakPolarHBondContact CA-O 3.37Å; R156-V246 HydrophobicContact CB-CG2 4.2Å; R156-V246 PolarHBondContact N-O 2.67Å; R156-V246 PolarHBondContact O-N 2.99Å; L209-V246 HydrophobicContact CD2-CG1 3.94Å; L209-V246 HydrophobicContact CD2-CG2 4.04Å; D213-V246 HydrophobicContact CB-CB 4.28Å; D213-V246 HydrophobicContact CB-CG2 4.49Å; E214-V246 CarbonylContact O-C 3.53Å; E214-V246 WeakPolarHBondContact O-CA 3.33Å; E214-V246 WeakPolarHBondContact O-CB 3.46Å; V215-V246 HydrophobicContact CG2-CG1 4.38Å; I244-V246 HydrophobicContact CD1-CG1 3.96Å; I244-V246 HydrophobicContact CG1-CG1 3.9Å; V246-P248 HydrophobicContact CG2-CG 4.45Å
247R95.9Very high82.9Confident65 Ų6573 Ų7325%0.24536%0.364CS..EExtended strand (participates in β ladder)trans-103.4110.3160.2166.9-171-58.9162.8-3.2107.6E214 L216E214-R247 HydrophobicContact CB-CB 4.25Å; E214-R247 PolarHBondContact N-O 2.92Å; E214-R247 PolarHBondContact O-N 2.91Å; E214-R247 IonicContact OE1-NH1 3.66Å; E214-R247 IonicContact OE2-CZ 2.88Å; E214-R247 IonicContact OE2-NE 2.71Å; E214-R247 IonicContact OE2-NH1 3.84Å; E214-R247 PolarHBondContact OE2-NH1 2.9Å; L216-R247 HydrophobicContact CD1-CB 3.83Å
248P94.6Very high80.5Confident6 Ų676.9 Ų76.94%0.03937%0.373CS..  trans-62.6136.8-177.8-25.735.9000112.7T154 R156 D213 V246 N250T154-P248 WeakPolarHBondContact O-CD 3.32Å; R156-P248 HydrophobicContact CB-CG 4.11Å; D213-P248 VanDerWaalsContact OD1-CA 3.24Å; D213-P248 WeakPolarHBondContact OD1-CA 3.27Å; V246-P248 HydrophobicContact CG2-CG 4.45Å; P248-N250 VanDerWaalsContact C-N 3.31Å; P248-N250 PolarHBondContact O-N 2.85Å
249A89.3Confident78.1Confident50 Ų5078.6 Ų78.641%0.41339%0.389SS..SBendtrans-63-41.3174.300000111.3N212 D213N212-A249 HydrophobicContact CB-CB 3.98Å; D213-A249 PolarHBondContact OD1-N 2.87Å
250N79.7Confident76.3Confident104 Ų10488 Ų8856%0.55642%0.421SS*.  trans-102.585.9177.9-72.1-47.3000110.5P248 R252 N253P248-N250 VanDerWaalsContact C-N 3.31Å; P248-N250 PolarHBondContact O-N 2.85Å; N250-R252 PolarHBondContact O-N 2.88Å; N250-R252 VanDerWaalsContact O-N 3.07Å; N250-N253 PolarHBondContact O-N 3.22Å
251Q69.6Low74.3Confident106 Ų10685.1 Ų85.150%0.49543%0.425SS..G310 helixtrans-59.8-20.6179.5-65-174.66.200113.6N253 N254Q251-N253 PolarHBondContact O-N 3.25Å; Q251-N253 VanDerWaalsContact O-N 3.15Å; Q251-N254 PolarHBondContact O-N 2.9Å
252R64.9Low71.7Confident239 Ų23988.3 Ų88.390%0.90245%0.452SS*.G310 helixtrans-53.9-27.1169-103.1-179.5167150.8-3.9114.4N250N250-R252 PolarHBondContact O-N 2.88Å; N250-R252 VanDerWaalsContact O-N 3.07Å
253N57.7Low69.3Low123 Ų12392.4 Ų92.466%0.65849%0.494SS*.G310 helixtrans-974.4179.4-73.98.8000113.1R156 N250 Q251R156-N253 VanDerWaalsContact NH2-C 3.31Å; R156-N253 PolarHBondContact NH2-O 2.93Å; N250-N253 PolarHBondContact O-N 3.22Å; Q251-N253 PolarHBondContact O-N 3.25Å; Q251-N253 VanDerWaalsContact O-N 3.15Å
254N60.1Low66.6Low22 Ų2296.3 Ų96.312%0.11853%0.525CS..SBendtrans-67.3143.6168.6-115.28000109.9E153 H155 R156 Q251 V256E153-N254 PolarHBondContact O-ND2 3.01Å; H155-N254 PolarHBondContact O-ND2 2.92Å; H155-N254 VanDerWaalsContact O-ND2 3.08Å; R156-N254 VanDerWaalsContact CZ-OD1 3.31Å; R156-N254 PolarHBondContact NE-OD1 3.35Å; R156-N254 VanDerWaalsContact NH2-CA 3.35Å; R156-N254 PolarHBondContact NH2-OD1 2.81Å; Q251-N254 PolarHBondContact O-N 2.9Å; N254-V256 VanDerWaalsContact C-N 3.25Å; N254-V256 WeakPolarHBondContact O-CG2 3.29Å; N254-V256 PolarHBondContact O-N 2.88Å
255V59.4Low64.2Low102 Ų102101.5 Ų101.562%0.61856%0.561SS**  trans-68.691.3-177.9178.30000107.3I145 R257I145-V255 HydrophobicContact CD1-CG2 3.56Å; V255-R257 PolarHBondContact O-N 3.28Å
256V56.1Low61.5Low93 Ų93104.8 Ų104.856%0.56460%0.596SS**  trans-59.4130.7-177.3-179.80000107.9N254 N258N254-V256 VanDerWaalsContact C-N 3.25Å; N254-V256 WeakPolarHBondContact O-CG2 3.29Å; N254-V256 PolarHBondContact O-N 2.88Å; V256-N258 PolarHBondContact O-N 3.18Å
257R52.8Low58.7Low171 Ų171113.9 Ų113.965%0.64564%0.638SS**  trans-61.4106.3175.5-164.8-179.7-147.7173.911.9108D149 V255 S259D149-R257 IonicContact OD1-CZ 3.59Å; D149-R257 IonicContact OD1-NH2 3.79Å; D149-R257 PolarHBondContact OD1-NH2 3.08Å; V255-R257 PolarHBondContact O-N 3.28Å; R257-S259 PolarHBondContact O-N 2.87Å; R257-S259 PolarHBondContact O-OG 3.38Å
258N43.2Very low56.1Low166 Ų166116.5 Ų116.589%0.88867%0.667SS**  trans-64.876.2168.6-87.482.4000109.8V256 R260V256-N258 PolarHBondContact O-N 3.18Å; N258-R260 VanDerWaalsContact C-N 3.27Å; N258-R260 PolarHBondContact O-N 3.09Å
259S46.1Very low53.4Low90 Ų90122.2 Ų122.263%0.62970%0.702SS**  trans-78.380.7177.745.80000110.4R257R257-S259 PolarHBondContact O-N 2.87Å; R257-S259 PolarHBondContact O-OG 3.38Å
260R56.2Low50.8Low221 Ų221126.9 Ų126.983%0.83472%0.72SS**SBendtrans73.9124.9150.3-47.4171.4-164.3177.95116.4N258N258-R260 VanDerWaalsContact C-N 3.27Å; N258-R260 PolarHBondContact O-N 3.09Å
261T49.4Very low48.7Very low132 Ų132128.6 Ų128.681%0.8173%0.729SS**  trans49.490.8151.863.80000117.9
262S42Very low47.1Very low125 Ų125128.4 Ų128.487%0.87474%0.739SS**  trans-161116.9138.7-82.40000108.6
263G47.4Very low45.7Very low86 Ų86125.2 Ų125.289%0.88774%0.739SS**  trans-81.8117.6166.800000108.7
264S40.7Very low44.7Very low119 Ų119128.1 Ų128.183%0.83275%0.753SS**  trans-153.1130.8150.9-166.20000110.3
265S47.2Very low43.2Very low109 Ų109130.7 Ų130.776%0.76279%0.786SS**  trans-82138.8172.846.80000111.1
266G42.9Very low41.7Very low72 Ų72131.5 Ų131.574%0.74280%0.795SS**  trans64.7119.4147.200000119
267Q37.9Very low41.1Very low190 Ų190132.3 Ų132.389%0.88880%0.803SS**  179.3152.699.4-93.8-177.627.200110.5
268S40.3Very low40Very low121 Ų121133 Ų13385%0.84681%0.813SS**  trans-109.2121.5170.9-62.60000109.6
269T38.9Very low39.3Very low126 Ų126133.4 Ų133.477%0.77381%0.81SS**  trans-161.4121.8152.926.10000105.1
270D34.8Very low38.4Very low148 Ų148135.6 Ų135.679%0.79181%0.813SS**  83.5135.976.1-159.4-63.3000112.5
271N36Very low37.1Very low139 Ų139133.7 Ų133.774%0.74381%0.813SS**  trans-44.2144.6-168.4-76.1-23.5000118
272S35.3Very low36.5Very low102 Ų102132.4 Ų132.471%0.71381%0.807SS**  170.6138.197.2-78.90000116
273L34.5Very low35.6Very low173 Ų173131.5 Ų131.591%0.90680%0.801SS**  trans67.3126.4150.2-62.7169.7000121.3
274L37Very low34.4Very low183 Ų183133.3 Ų133.396%0.95880%0.799SS**  trans-88.1136.7168.1-75155.6000110.5
275G29.2Very low33.8Very low77 Ų77136.4 Ų136.479%0.79480%0.8SS**  trans178109.2170.500000113.2
276S27.2Very low33.6Very low118 Ų118136.1 Ų136.183%0.82580%0.795SS**  trans-145.6166.5177.3-52.80000109
277P45.1Very low32.9Very low111 Ų111140.3 Ų140.372%0.72180%0.796SS**  cis-128.7-179.8-31.432.8-15.9000111.2
278Q27.7Very low32.6Very low185 Ų185138.4 Ų138.486%0.86479%0.792SS**  177.4153.6125.6-99.3169.829.300115.2
279H28.7Very low32.3Very low175 Ų175142 Ų14281%0.8180%0.795SS**  trans102.3153.6156-126.3-89.5000120.1
280I28.7Very low32Very low136 Ų136143.5 Ų143.570%0.69780%0.799SS**  trans-125.6156.6-145.9-74.5164.6000110.7
281E28.4Very low32Very low180 Ų180142.2 Ų142.284%0.84180%0.801SS**  trans90.1158.8159.3-95.7-163.316500119.8
282P37.4Very low32Very low105 Ų105141.8 Ų141.868%0.68280%0.799SS**  -127.2-174.8-127.641.2-22.6000113.4
283S22.2Very low32.1Very low106 Ų106145.2 Ų145.274%0.74180%0.804SS**  trans154.4141.4135.4-73.70000113.7
284C23.4Very low32.2Very low125 Ų125144.6 Ų144.685%0.84580%0.801SS**  trans56.8117.1147.4-58.30000121.5
285E27.1Very low32.2Very low184 Ų184143.7 Ų143.786%0.8680%0.797SS**  trans-60.8171.3141.8-64.4-167.2153.200110.6
286P42Very low33.1Very low102 Ų102147.1 Ų147.166%0.66280%0.796SS**  cis-149.6-158.629.937.5-11.2000117
287E28.2Very low33.5Very low160 Ų160148.5 Ų148.575%0.74879%0.792SS**  trans92.699.3155.8-69.5165-161.700118.4
288D32.2Very low33.4Very low150 Ų150151 Ų15180%0.80280%0.798SS**  40.7127.1118-48.9-33.5000120.5
289E34.2Very low33.9Very low197 Ų197150.7 Ų150.792%0.92180%0.796SS**  -166.5145.7116.3-107.7-179.1151.300112.2
290D32.4Very low34.2Very low158 Ų158149.1 Ų149.185%0.84579%0.794SS**  trans-67.9148.3170.8-80.8-46.9000111.4
291S34.7Very low34.4Very low121 Ų121150.5 Ų150.585%0.84680%0.803SS**  trans-154.8111.5145.5-167.90000109.8
292D35.7Very low34.7Very low129 Ų129145.1 Ų145.169%0.6980%0.795SS**  trans-73.1-179.9167.2-83.2-53.4000111.6
293E37.5Very low34.9Very low175 Ų175146.5 Ų146.582%0.81880%0.802SS**  trans62.1101.1149.574.6-150.5139.700121.2
294D37.3Very low35.6Very low159 Ų159147.3 Ų147.385%0.8580%0.804SS**  trans-154.495.1142.7-107.9-33.2000110.8
295D37.1Very low36.1Very low164 Ų164150.4 Ų150.488%0.87781%0.807SS**  trans-79.6114.2171.5-99.3-29.2000110.1
296I47.8Very low36.5Very low150 Ų150150.7 Ų150.777%0.76981%0.808SS**  trans-96110.5175.1-59.7-178.1000111.3
297I36.9Very low36.3Very low146 Ų146153.4 Ų153.475%0.74982%0.815SS**  trans-65.1133.3174.4-56.5158.2000110.1E299I297-E299 HydrophobicContact CG2-CG 4.26Å
298I41.1Very low36.6Very low163 Ų163151.5 Ų151.584%0.83682%0.817SS**  trans-113.4110.6164.4-58.7179.6000108.1
299E38.2Very low36.8Very low179 Ų179153.8 Ų153.884%0.83682%0.819SS**  trans-72.2139.2177.5-67.4-171.5133.400112.1I297I297-E299 HydrophobicContact CG2-CG 4.26Å
300D35.6Very low36.7Very low142 Ų142149 Ų14976%0.75981%0.814SS**  trans-76.9128.9172.3171.843.7000111.2
301N33.6Very low36.9Very low166 Ų166147.2 Ų147.289%0.88881%0.808SS**  trans-173.396.6154.8-102.5-48.3000111.2
302G33.7Very low36.9Very low66 Ų66146.8 Ų146.868%0.6880%0.802SS**  trans-174.195.9175.700000115.8
303V42.8Very low36.6Very low135 Ų135148.2 Ų148.282%0.81881%0.81SS**PPolyproline II helixtrans-60.5135.7178.7-178.40000111.9Q305V303-Q305 PolarHBondContact O-N 3.31Å
304P36.3Very low36.4Very low122 Ų122145.9 Ų145.979%0.79281%0.808SS**PPolyproline II helixtrans-70.2118.4-176.727-35000113
305Q33.5Very low36.1Very low191 Ų191148 Ų14889%0.89381%0.813SS**PPolyproline II helixtrans-79.1142171.8-80.5-176.5-21.400112.3V303V303-Q305 PolarHBondContact O-N 3.31Å
306Q35.8Very low35.9Very low190 Ų190145.2 Ų145.289%0.88881%0.806SS**PPolyproline II helixtrans-81.1135.3-177-62.8178.73.700111.8
307I38Very low35.2Very low158 Ų158144.9 Ų144.981%0.8181%0.806SS**PPolyproline II helixtrans-73.2133.9170-59172.2000108.9
308P35.5Very low34.8Very low120 Ų120146.3 Ų146.378%0.77981%0.809SS**PPolyproline II helixtrans-61.9138.8-175.8-25.735.2000114.6
309K34.8Very low34.3Very low198 Ų198143.8 Ų143.886%0.86181%0.806SS**PPolyproline II helixtrans-67.5130.6167.8-84.5176.1172.2173.20110.7
310A33Very low33.9Very low98 Ų98143.4 Ų143.481%0.8181%0.809SS**PPolyproline II helixtrans-68.6135.3159.800000110.2
311V37.2Very low33.6Very low120 Ų120142.9 Ų142.973%0.72781%0.811SS**PPolyproline II helixtrans-87.5131.6176.4-179.30000109N313V311-N313 PolarHBondContact O-N 3.32Å
312P34.5Very low33.4Very low111 Ų111143.1 Ų143.172%0.72181%0.807SS**  trans-80.7114.1169.731.5-29.8000109.4T314P312-T314 PolarHBondContact O-N 2.82Å
313N28.7Very low33.3Very low160 Ų160148.6 Ų148.686%0.85682%0.818SS**  trans-73.8116.9165.2-90.59.8000109.3V311V311-N313 PolarHBondContact O-N 3.32Å
314T34Very low32.5Very low125 Ų125149.7 Ų149.777%0.76781%0.814SS**  trans-85.1117168.948.80000110P312P312-T314 PolarHBondContact O-N 2.82Å
315E30.1Very low32.2Very low203 Ų203151.8 Ų151.895%0.94982%0.818SS**  trans-139.7148.3139.2-73.9-156.3128.900108.5
316S33.6Very low31.8Very low107 Ų107148.3 Ų148.375%0.74882%0.815SS**  trans-111.4-174-158.451.80000113.6
317L31.6Very low31.4Very low143 Ų143148.8 Ų148.875%0.74982%0.815SS**  trans101.9136.7169-57.1173.3000114.8
318E29.2Very low30.8Very low175 Ų175150.6 Ų150.682%0.81882%0.82SS**  cis-158.3157.7-25.6-140.2170.9-16600108.5
319S31.1Very low30.4Very low111 Ų111150.6 Ų150.678%0.77682%0.822SS**  trans-79.7128.2-176.1-56.50000112.4
320L28.6Very low30.2Very low170 Ų170144.5 Ų144.589%0.8982%0.816SS**  trans-133.491.7163.3-81.4176.5000112.3
321T30.5Very low30.1Very low132 Ų132147.8 Ų147.881%0.8181%0.814SS**  trans-107.596158.949.40000109
322Q28.4Very low29.6Very low171 Ų171149 Ų14980%0.79982%0.817SS**  trans-174.6109.7162-111.6166.3-2.800110.4
323I32Very low29.3Very low180 Ų180147.6 Ų147.692%0.92382%0.822SS**  trans-132.8136142.7-65.4-172.2000106.5
324E27.2Very low29.1Very low158 Ų158150.1 Ų150.174%0.73883%0.826SS**  trans-103.5152-157.6-165.7171.4149.900111.7S326E324-S326 PolarHBondContact O-N 2.89Å
325L28.4Very low28.9Very low166 Ų166151.2 Ų151.287%0.86983%0.826SS**  trans-82106173.6-75.5162.8000109.7F327L325-F327 PolarHBondContact O-N 3.22Å
326S26Very low29.4Very low119 Ų119146.9 Ų146.983%0.83282%0.815SS**  trans-91.298.3172-54.60000111.1E324E324-S326 PolarHBondContact O-N 2.89Å
327F27.3Very low29.2Very low199 Ų199146.7 Ų146.787%0.87381%0.814SS**  trans-89.7127163-117.4-93000108.6L325L325-F327 PolarHBondContact O-N 3.22Å
328E24.8Very low29Very low196 Ų196146.6 Ų146.692%0.91681%0.814SS**  trans-126.2155.3162.3-85.2-160.2102.800110.9
329S28.6Very low29Very low120 Ų120146.4 Ų146.484%0.83981%0.813SS**  trans-142.7131.7-162.4147.60000112.5
330G28.8Very low29Very low70 Ų70147 Ų14772%0.72281%0.812SS**  trans100.2149.1167.900000114.3
331Q30.8Very low29.1Very low167 Ų167143.2 Ų143.278%0.7880%0.799SS**  cis-162.6148.41.1-125-179.93.800111
332N28.7Very low29Very low146 Ų146144.6 Ų144.678%0.78180%0.801SS**  trans61.3132152.6-53.3-26.5000121.4
333G26.9Very low29.2Very low81 Ų81140.3 Ų140.384%0.83580%0.795SS**  trans160.195.8154.900000119.1
334F24.8Very low29.8Very low214 Ų214136.8 Ų136.894%0.93978%0.784SS**  trans-27.4162.1166.2-122.1-111.8000122.2
335I30.1Very low30Very low148 Ų148136.9 Ų136.976%0.75979%0.788SS**  trans-114135.6-178.7-73.4167.8000108.8
336P41Very low30.1Very low111 Ų111133.4 Ų133.472%0.72178%0.783SS**  -160162.290.343.8-23.5000120.8
337S27.6Very low30.3Very low103 Ų103133.5 Ų133.572%0.7278%0.784SS**  trans54.8128.3139.1-570000125.1
338N27.9Very low30.4Very low141 Ų141127.7 Ų127.775%0.75478%0.78SS**  -171.5128.5102.4-88.4-6000109.3
339E29.8Very low30.8Very low171 Ų171123.6 Ų123.680%0.79977%0.773SS**  49.912997.1-60.5-153.8128.100114
340V31Very low30.8Very low125 Ų125125 Ų12576%0.75877%0.771SS**  -156.9132.656.1162.10000113.3
341S29.7Very low30.9Very low89 Ų89127.8 Ų127.862%0.62277%0.774SS**  trans35.6128.4139.6-55.60000126.6
342L29.5Very low30.9Very low161 Ų161127.2 Ų127.284%0.84377%0.771SS**  64.4110.5119.4-60.4168.1000120.2
343A31.8Very low31Very low81 Ų81128.1 Ų128.167%0.66977%0.769SS**  106.917976.800000111.7
344P46Very low31.1Very low107 Ų107131.7 Ų131.770%0.69576%0.764SS**  -137.7169.1-72.142.4-27.8000116.9
345I30.3Very low31.4Very low160 Ų160126.5 Ų126.582%0.82175%0.75SS**  trans69.6141.5144.1-71.7160.6000122.1
346A30.9Very low31.3Very low93 Ų93128.3 Ų128.377%0.76975%0.754SS**  trans71.4153.8163.700000117.1
347S30.2Very low30.9Very low121 Ų121127.1 Ų127.185%0.84675%0.754SS**  cis-151.7164.99.231.90000110.4
348G29.1Very low32.2Very low77 Ų77128 Ų12879%0.79476%0.757SS**  trans-106.1179.6-178.700000115.8
349S33.1Very low32.3Very low110 Ų110128.7 Ų128.777%0.76976%0.761SS**  trans-169.8130.3162.448.40000112
350N28.9Very low32.7Very low149 Ų149129 Ų12980%0.79776%0.762SS**  24.8139.7129.6-46.2-18.9000118.3
351T31.6Very low32.8Very low129 Ų129132.3 Ų132.379%0.79177%0.767SS**  -163.7172.857.435.20000114.5
352E30.7Very low32.8Very low154 Ų154135.2 Ų135.272%0.7278%0.775SS**  trans-53179.1170.4-57.8143.2105.400115.6
353F30.3Very low33.3Very low165 Ų165136.1 Ų136.172%0.72478%0.779SS**  cis-163.3168.127.4-142.6-83.3000112.4
354E29Very low33.6Very low157 Ų157140.7 Ų140.773%0.73479%0.787SS**  trans82.6104.1149.9-121.2156.2136.100125.4
355T30Very low34.1Very low104 Ų104144.8 Ų144.864%0.63880%0.796SS**  45.2123123.9-40.40000122.9
356H29.1Very low34.6Very low186 Ų186144.8 Ų144.886%0.86180%0.798SS**  175.2154116.9-95-70.3000112.5
357A32.7Very low35.5Very low87 Ų87143 Ų14372%0.71979%0.788SS**  trans-147.3172.3171.800000108.7
358P54.7Low37.1Very low120 Ų120140.7 Ų140.778%0.77977%0.77SS**  cis-117.2171.1-14.839.5-27.6000111.9
359D30.2Very low37.7Very low156 Ų156141.2 Ų141.283%0.83475%0.753SS**  trans-150.4156.6152-135.6-23.8000114.1
360Q38.9Very low38.5Very low177 Ų177137.2 Ų137.283%0.82772%0.723SS**  trans-84.1134.1-161.9-57165.919.900112.4
361K31.5Very low39.5Very low196 Ų196134.8 Ų134.885%0.85271%0.714SS**  trans-150.2126.4155.5-111.5-175.3-176.9-174.30113.7
362L31.4Very low39.6Very low150 Ų150137 Ų13779%0.78572%0.719SS**  trans26.7122.2147.4-75.9152000119.2E364L362-E364 PolarHBondContact O-N 3.41Å
363L39.2Very low40Very low180 Ų180136.1 Ų136.194%0.94272%0.719SS**  trans-62.2107.6160.5-65.8159.8000109.7
364E38.9Very low40.5Very low176 Ų176134.6 Ų134.682%0.82272%0.719SS**  trans-91.1134.6158.8-76.6-174.4139.700109.4L362 D366L362-E364 PolarHBondContact O-N 3.41Å; E364-D366 PolarHBondContact O-N 2.91Å
365E55.4Low41.2Very low193 Ų193133.3 Ų133.390%0.90272%0.718SS**  trans-92.876.2-167.4-170-177.5177.200110.6G367E365-G367 PolarHBondContact O-N 3.46Å
366D41.4Very low41.8Very low161 Ų161135.1 Ų135.186%0.86172%0.723SS**  trans-72.685.4178.3-85.3-21.4000112E364E364-D366 PolarHBondContact O-N 2.91Å
367G49.6Very low42.6Very low54 Ų54131.9 Ų131.956%0.55772%0.715SS**  trans-82.5110.7168.100000111.9E365 I369E365-G367 PolarHBondContact O-N 3.46Å; G367-I369 PolarHBondContact O-N 3.26Å
368T63Low43.3Very low74 Ų74134.9 Ų134.945%0.45471%0.714SS.*  trans-49.1121.7-179.5-49.40000112.4
369I41.9Very low42.5Very low88 Ų88135.9 Ų135.945%0.45171%0.71SS.*  trans-85.7122179.8-56.8-172.4000109Y172 G367 T371Y172-I369 HydrophobicContact CE1-CB 4.09Å; Y172-I369 HydrophobicContact CE1-CG2 3.59Å; G367-I369 PolarHBondContact O-N 3.26Å; I369-T371 HydrophobicContact CG2-CG2 3.64Å; I369-T371 WeakPolarHBondContact CG2-OG1 3.3Å; I369-T371 PolarHBondContact O-N 3.2Å
370I51Low43.4Very low25 Ų25134.4 Ų134.413%0.12870%0.7CS.*  trans-7671.6164.3-49.5-175.7000108.8T232 I236T232-I370 HydrophobicContact CG2-CD1 4Å; T232-I370 HydrophobicContact CG2-CG1 3.91Å; I236-I370 HydrophobicContact CD1-CG2 4.19Å; I236-I370 HydrophobicContact CG1-CG2 3.97Å
371T48.1Very low43.8Very low99 Ų99130.8 Ų130.861%0.60769%0.689SS**  trans-99.9152163.724.20000109.5I369I369-T371 HydrophobicContact CG2-CG2 3.64Å; I369-T371 WeakPolarHBondContact CG2-OG1 3.3Å; I369-T371 PolarHBondContact O-N 3.2Å
372L34Very low44.9Very low174 Ų174124.9 Ų124.991%0.91168%0.675SS**  trans-75.10172.3-65.8167.2000111T165 E166T165-L372 WeakPolarHBondContact O-CD1 3.22Å; E166-L372 VanDerWaalsContact O-CD1 3.27Å; E166-L372 WeakPolarHBondContact O-CD1 3.18Å

Retrieved 372 of 372 residues in 231.4 ms (Link to these results)