A0A077ZCA3_TRITR Loading...

Stackhouse genomic scaffold, scaffold 140

AlphaFold DB , UniProt , Accession A0A077ZCA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 246 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
1M33.1Very low37.3Very low223 Ų223110.6 Ų110.6100%1.09958%0.575SS**  036.10-58.2-171.2-151.400111.4
2S39.4Very low38Very low81 Ų81104.8 Ų104.857%0.56656%0.555SS**  trans-86-30.5-165.351.50000115.5Q4S2-Q4 PolarHBondContact O-N 3.41Å
3N36.9Very low38.8Very low136 Ų136102.5 Ų102.573%0.72754%0.538SS*.Hα-helixtrans-78.9-17.9-170.6-70.26.8000115.8
4Q30.9Very low39.7Very low175 Ų175104.4 Ų104.482%0.81854%0.535SS*.Hα-helixtrans-79.5-30.4179.1-84.4-176.8-12.700112.6S2 Y8S2-Q4 PolarHBondContact O-N 3.41Å; Q4-Y8 PolarHBondContact O-N 2.94Å
5Y31.5Very low40.6Very low144 Ų144108.2 Ų108.257%0.56554%0.54SS*.Hα-helixtrans-74.2-47.7179.2-86.9-78.5000110.8G7 Y8 Y9Y5-G7 VanDerWaalsContact C-N 3.28Å; Y5-G7 PolarHBondContact O-N 2.94Å; Y5-Y8 PolarHBondContact O-N 3.46Å; Y5-Y9 AromaticContact CD1-CE2 3.6Å; Y5-Y9 HydrophobicContact CD1-CE2 3.6Å; Y5-Y9 AromaticContact CD1-CZ 3.8Å; Y5-Y9 WeakPolarHBondContact CD1-OH 3.18Å; Y5-Y9 HydrophobicContact CG-CE2 4.23Å; Y5-Y9 WeakPolarHBondContact O-CD2 3.27Å; Y5-Y9 WeakPolarHBondContact O-CE2 3.47Å; Y5-Y9 PolarHBondContact O-N 3.4Å; Y5-Y9 VanDerWaalsContact O-N 3.11Å
6D36Very low41.5Very low65 Ų65103.1 Ų103.135%0.34851%0.514SS..Hα-helixtrans-57.4-41177.3-65.6-22.3000112.5G10D6-G10 PolarHBondContact O-N 3.11Å; D6-G10 VanDerWaalsContact O-N 3.11Å
7G33.2Very low42.2Very low47 Ų4798.9 Ų98.949%0.48549%0.493SS..Hα-helixtrans-67.5-32.7176.500000113.6Y5 N11Y5-G7 VanDerWaalsContact C-N 3.28Å; Y5-G7 PolarHBondContact O-N 2.94Å; G7-N11 WeakPolarHBondContact O-CB 3.27Å; G7-N11 PolarHBondContact O-N 2.97Å
8Y34.4Very low42.9Very low167 Ų16795.8 Ų95.866%0.65548%0.478SS*.Hα-helixtrans-72.7-39178-167.6-93.2000111.8Q4 Y5 N11 A12Q4-Y8 PolarHBondContact O-N 2.94Å; Y5-Y8 PolarHBondContact O-N 3.46Å; Y8-N11 CarbonylContact O-C 3.43Å; Y8-N11 WeakPolarHBondContact O-CB 3.3Å; Y8-N11 PolarHBondContact O-N 2.99Å; Y8-A12 PolarHBondContact O-N 2.82Å
9Y45.5Very low43.4Very low72 Ų7293.6 Ų93.628%0.28247%0.473SS..Hα-helixtrans-78.8-44.2-176.1-62.9-60.9000113.7Y5 N11 A12 F13Y5-Y9 AromaticContact CD1-CE2 3.6Å; Y5-Y9 HydrophobicContact CD1-CE2 3.6Å; Y5-Y9 AromaticContact CD1-CZ 3.8Å; Y5-Y9 WeakPolarHBondContact CD1-OH 3.18Å; Y5-Y9 HydrophobicContact CG-CE2 4.23Å; Y5-Y9 WeakPolarHBondContact O-CD2 3.27Å; Y5-Y9 WeakPolarHBondContact O-CE2 3.47Å; Y5-Y9 PolarHBondContact O-N 3.4Å; Y5-Y9 VanDerWaalsContact O-N 3.11Å; Y9-N11 PolarHBondContact O-N 2.9Å; Y9-A12 PolarHBondContact O-N 3.43Å; Y9-F13 PolarHBondContact O-N 2.77Å
10G43.4Very low44Very low42 Ų4289.7 Ų89.743%0.43345%0.452SS..Hα-helixtrans-54.3-36.9168.800000110.4D6 Y14D6-G10 PolarHBondContact O-N 3.11Å; D6-G10 VanDerWaalsContact O-N 3.11Å; G10-Y14 WeakPolarHBondContact O-CA 3.23Å; G10-Y14 WeakPolarHBondContact O-CB 3.4Å; G10-Y14 PolarHBondContact O-N 3.24Å
11N45.7Very low44.1Very low65 Ų6591.1 Ų91.135%0.34845%0.453SS..Hα-helixtrans-72.8-35.2174.8-160.7-7.2000113.1G7 Y8 Y9 R15G7-N11 WeakPolarHBondContact O-CB 3.27Å; G7-N11 PolarHBondContact O-N 2.97Å; Y8-N11 CarbonylContact O-C 3.43Å; Y8-N11 WeakPolarHBondContact O-CB 3.3Å; Y8-N11 PolarHBondContact O-N 2.99Å; Y9-N11 PolarHBondContact O-N 2.9Å; N11-R15 WeakPolarHBondContact O-CA 3.11Å; N11-R15 WeakPolarHBondContact O-CB 3.44Å; N11-R15 WeakPolarHBondContact O-CD 3.31Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.28Å; N11-R15 WeakPolarHBondContact OD1-CD 3.33Å; N11-R15 WeakPolarHBondContact OD1-CG 3.16Å; N11-R15 PolarHBondContact OD1-NE 3.4Å
12A46.1Very low44.9Very low41 Ų4181.8 Ų81.834%0.33941%0.407SS..Hα-helixtrans-68.4-46.8175.300000112Y8 Y9 R15 F16Y8-A12 PolarHBondContact O-N 2.82Å; Y9-A12 PolarHBondContact O-N 3.43Å; A12-R15 PolarHBondContact O-N 3.19Å; A12-F16 WeakPolarHBondContact O-CB 3.04Å; A12-F16 PolarHBondContact O-N 2.86Å
13F49Very low45.6Very low75 Ų7578 Ų7833%0.32938%0.38SS..Hα-helixtrans-59.6-49.1171.3172.5-89.9000110.8Y9 R15 F16 M17 F131Y9-F13 PolarHBondContact O-N 2.77Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 3.12Å; F13-F16 PolarHBondContact O-N 3.25Å; F13-M17 HydrophobicContact CD1-CG 4.12Å; F13-M17 HydrophobicContact CD2-CG 4.47Å; F13-M17 HydrophobicContact CE1-CG 3.74Å; F13-M17 HydrophobicContact CE2-CG 4.12Å; F13-M17 HydrophobicContact CG-CG 4.46Å; F13-M17 HydrophobicContact CZ-CG 3.73Å; F13-M17 HydrophobicContact CZ-SD 4.32Å; F13-M17 VanDerWaalsContact O-CB 3.31Å; F13-M17 WeakPolarHBondContact O-CB 3.28Å; F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.13Å; F13-M17 PolarHBondContact O-N 2.84Å; F13-F131 AromaticContact CD2-CE2 3.57Å; F13-F131 HydrophobicContact CD2-CE2 3.57Å; F13-F131 AromaticContact CD2-CZ 3.43Å; F13-F131 HydrophobicContact CD2-CZ 3.43Å; F13-F131 VanDerWaalsContact CD2-CZ 3.43Å; F13-F131 HydrophobicContact CE2-CE2 4.19Å; F13-F131 AromaticContact CE2-CZ 3.61Å; F13-F131 HydrophobicContact CE2-CZ 3.61Å; F13-F131 HydrophobicContact CG-CE2 4.44Å
14Y51.4Low46.5Very low128 Ų12871.5 Ų71.550%0.50235%0.345SS..Hα-helixtrans-62.3-39.7178.2-179-110000111.6G10 M17 L18G10-Y14 WeakPolarHBondContact O-CA 3.23Å; G10-Y14 WeakPolarHBondContact O-CB 3.4Å; G10-Y14 PolarHBondContact O-N 3.24Å; Y14-M17 CarbonylContact O-C 3.43Å; Y14-M17 PolarHBondContact O-N 3.48Å; Y14-L18 HydrophobicContact CD1-CD1 3.55Å; Y14-L18 HydrophobicContact CD1-CG 4.03Å; Y14-L18 HydrophobicContact CD2-CG 4.28Å; Y14-L18 HydrophobicContact CE1-CD1 3.11Å; Y14-L18 HydrophobicContact CE1-CD2 4.41Å; Y14-L18 HydrophobicContact CE1-CG 3.8Å; Y14-L18 HydrophobicContact CE2-CD1 4.24Å; Y14-L18 HydrophobicContact CE2-CD2 4.15Å; Y14-L18 HydrophobicContact CE2-CG 4.03Å; Y14-L18 HydrophobicContact CG-CD1 4.28Å; Y14-L18 HydrophobicContact CG-CG 4.27Å; Y14-L18 VanDerWaalsContact CZ-CD1 3.49Å; Y14-L18 WeakPolarHBondContact O-CA 3.36Å; Y14-L18 WeakPolarHBondContact O-CB 3.33Å; Y14-L18 WeakPolarHBondContact O-CG 3.44Å; Y14-L18 PolarHBondContact O-N 3.01Å
15R52.1Low47.7Very low162 Ų16263.5 Ų63.561%0.61131%0.308SS*.Hα-helixtrans-67.8-41174.7-79.7171.7-175.4-141.5-1.5111.8N11 A12 F13 L18 S19N11-R15 WeakPolarHBondContact O-CA 3.11Å; N11-R15 WeakPolarHBondContact O-CB 3.44Å; N11-R15 WeakPolarHBondContact O-CD 3.31Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.28Å; N11-R15 WeakPolarHBondContact OD1-CD 3.33Å; N11-R15 WeakPolarHBondContact OD1-CG 3.16Å; N11-R15 PolarHBondContact OD1-NE 3.4Å; A12-R15 PolarHBondContact O-N 3.19Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 3.12Å; R15-L18 PolarHBondContact O-N 3.49Å; R15-S19 WeakPolarHBondContact O-CB 3.37Å; R15-S19 PolarHBondContact O-N 3.24Å; R15-S19 PolarHBondContact O-OG 2.88Å
16F55.5Low48.8Very low27 Ų2756.8 Ų56.812%0.11828%0.282CS..Hα-helixtrans-62.1-49.7175-179.6-94.3000110A12 F13 L18 S19 H20 I42 F131 F162A12-F16 WeakPolarHBondContact O-CB 3.04Å; A12-F16 PolarHBondContact O-N 2.86Å; F13-F16 PolarHBondContact O-N 3.25Å; F16-L18 VanDerWaalsContact C-N 3.35Å; F16-L18 PolarHBondContact O-N 2.87Å; F16-S19 WeakPolarHBondContact CA-OG 3.19Å; F16-S19 PolarHBondContact O-N 3.49Å; F16-S19 PolarHBondContact O-OG 2.79Å; F16-H20 AromaticContact CD2-ND1 3.74Å; F16-H20 AromaticContact CE2-CE1 3.92Å; F16-H20 AromaticContact CE2-ND1 3.77Å; F16-H20 WeakPolarHBondContact O-CB 3.2Å; F16-H20 PolarHBondContact O-N 3.44Å; F16-H20 PolarHBondContact O-ND1 3.44Å; F16-I42 HydrophobicContact CE1-CD1 4.24Å; F16-F131 HydrophobicContact CB-CD2 4.14Å; F16-F131 HydrophobicContact CB-CE2 4.31Å; F16-F131 HydrophobicContact CD1-CB 4.47Å; F16-F131 HydrophobicContact CD1-CD1 4.46Å; F16-F131 AromaticContact CD1-CD2 3.45Å; F16-F131 HydrophobicContact CD1-CD2 3.45Å; F16-F131 VanDerWaalsContact CD1-CD2 3.45Å; F16-F131 AromaticContact CD1-CE2 3.66Å; F16-F131 HydrophobicContact CD1-CE2 3.66Å; F16-F131 AromaticContact CD1-CG 3.88Å; F16-F131 HydrophobicContact CD1-CG 3.88Å; F16-F131 HydrophobicContact CD1-CZ 4.25Å; F16-F131 HydrophobicContact CD2-CB 4.4Å; F16-F131 HydrophobicContact CD2-CD2 4.22Å; F16-F131 HydrophobicContact CE1-CB 4.13Å; F16-F131 HydrophobicContact CE1-CD1 4.12Å; F16-F131 AromaticContact CE1-CD2 3.85Å; F16-F131 HydrophobicContact CE1-CD2 3.85Å; F16-F131 HydrophobicContact CE1-CE2 4.26Å; F16-F131 AromaticContact CE1-CG 3.76Å; F16-F131 HydrophobicContact CE1-CG 3.76Å; F16-F131 HydrophobicContact CE2-CB 4.05Å; F16-F131 HydrophobicContact CE2-CG 4.46Å; F16-F131 AromaticContact CG-CD2 3.66Å; F16-F131 HydrophobicContact CG-CD2 3.66Å; F16-F131 HydrophobicContact CG-CE2 4.11Å; F16-F131 HydrophobicContact CG-CG 4.29Å; F16-F131 HydrophobicContact CZ-CB 3.91Å; F16-F131 HydrophobicContact CZ-CD2 4.39Å; F16-F131 HydrophobicContact CZ-CG 4.07Å; F16-F162 HydrophobicContact CD1-CE2 4.44Å; F16-F162 HydrophobicContact CE1-CE1 4.5Å; F16-F162 AromaticContact CE1-CE2 3.74Å; F16-F162 HydrophobicContact CE1-CE2 3.74Å; F16-F162 AromaticContact CE1-CZ 3.56Å; F16-F162 HydrophobicContact CE1-CZ 3.56Å; F16-F162 HydrophobicContact CZ-CZ 4.19Å
17M53.6Low49.8Very low32 Ų3253.9 Ų53.916%0.15827%0.266CS..Hα-helixtrans-62.2-37.5175.3-73.2-63.9-62.400112.8F13 Y14 R21 I42 F162F13-M17 HydrophobicContact CD1-CG 4.12Å; F13-M17 HydrophobicContact CD2-CG 4.47Å; F13-M17 HydrophobicContact CE1-CG 3.74Å; F13-M17 HydrophobicContact CE2-CG 4.12Å; F13-M17 HydrophobicContact CG-CG 4.46Å; F13-M17 HydrophobicContact CZ-CG 3.73Å; F13-M17 HydrophobicContact CZ-SD 4.32Å; F13-M17 VanDerWaalsContact O-CB 3.31Å; F13-M17 WeakPolarHBondContact O-CB 3.28Å; F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.13Å; F13-M17 PolarHBondContact O-N 2.84Å; Y14-M17 CarbonylContact O-C 3.43Å; Y14-M17 PolarHBondContact O-N 3.48Å; M17-R21 WeakPolarHBondContact O-CA 3.28Å; M17-R21 WeakPolarHBondContact O-CB 3.35Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 3.02Å; M17-I42 HydrophobicContact CE-CB 4.3Å; M17-I42 HydrophobicContact CE-CG2 3.76Å; M17-I42 HydrophobicContact SD-CG2 3.78Å; M17-F162 HydrophobicContact SD-CD2 4.09Å; M17-F162 HydrophobicContact SD-CE2 3.98Å
18L53.7Low50.6Low43 Ų4352.5 Ų52.523%0.22525%0.249CC..Hα-helixtrans-72-45.9177-82.6-175.2000111.5Y14 R15 F16 H20 R21 P82Y14-L18 HydrophobicContact CD1-CD1 3.55Å; Y14-L18 HydrophobicContact CD1-CG 4.03Å; Y14-L18 HydrophobicContact CD2-CG 4.28Å; Y14-L18 HydrophobicContact CE1-CD1 3.11Å; Y14-L18 HydrophobicContact CE1-CD2 4.41Å; Y14-L18 HydrophobicContact CE1-CG 3.8Å; Y14-L18 HydrophobicContact CE2-CD1 4.24Å; Y14-L18 HydrophobicContact CE2-CD2 4.15Å; Y14-L18 HydrophobicContact CE2-CG 4.03Å; Y14-L18 HydrophobicContact CG-CD1 4.28Å; Y14-L18 HydrophobicContact CG-CG 4.27Å; Y14-L18 VanDerWaalsContact CZ-CD1 3.49Å; Y14-L18 WeakPolarHBondContact O-CA 3.36Å; Y14-L18 WeakPolarHBondContact O-CB 3.33Å; Y14-L18 WeakPolarHBondContact O-CG 3.44Å; Y14-L18 PolarHBondContact O-N 3.01Å; R15-L18 PolarHBondContact O-N 3.49Å; F16-L18 VanDerWaalsContact C-N 3.35Å; F16-L18 PolarHBondContact O-N 2.87Å; L18-H20 PolarHBondContact O-N 3.3Å; L18-R21 PolarHBondContact O-N 3.14Å; L18-P82 HydrophobicContact CB-CG 4.09Å; L18-P82 WeakPolarHBondContact O-CD 3.26Å
19S52.8Low51.4Low53 Ų5347.1 Ų47.137%0.37123%0.231SC..Hα-helixtrans-65.9-29.3-179.7520000112.1R15 F16R15-S19 WeakPolarHBondContact O-CB 3.37Å; R15-S19 PolarHBondContact O-N 3.24Å; R15-S19 PolarHBondContact O-OG 2.88Å; F16-S19 WeakPolarHBondContact CA-OG 3.19Å; F16-S19 PolarHBondContact O-N 3.49Å; F16-S19 PolarHBondContact O-OG 2.79Å
20H54.9Low51.5Low15 Ų1546.6 Ų46.67%0.06925%0.248CC..THydrogen-bonded Turntrans-112.510.7-179.8-59.488.3000113.2F16 L18 L22 T23 I42 E127F16-H20 AromaticContact CD2-ND1 3.74Å; F16-H20 AromaticContact CE2-CE1 3.92Å; F16-H20 AromaticContact CE2-ND1 3.77Å; F16-H20 WeakPolarHBondContact O-CB 3.2Å; F16-H20 PolarHBondContact O-N 3.44Å; F16-H20 PolarHBondContact O-ND1 3.44Å; L18-H20 PolarHBondContact O-N 3.3Å; H20-L22 PolarHBondContact O-N 3.22Å; H20-T23 WeakPolarHBondContact CA-OG1 3.23Å; H20-T23 PolarHBondContact O-OG1 2.91Å; H20-T23 VanDerWaalsContact O-OG1 3.11Å; H20-I42 HydrophobicContact CB-CD1 3.47Å; H20-I42 VanDerWaalsContact CB-CD1 3.47Å; H20-I42 HydrophobicContact CB-CG1 4.49Å; H20-E127 IonicContact CE1-OE2 3.2Å; H20-E127 IonicContact NE2-OE2 2.64Å; H20-E127 PolarHBondContact NE2-OE2 2.82Å; H20-E127 VanDerWaalsContact NE2-OE2 3.1Å
21R46.9Very low51.7Low121 Ų12150.8 Ų50.846%0.45725%0.254SS..SBendtrans-54.6-34.5-173.1-137.5177.5-174.3-166.6-1.8110.7M17 L18 S41 I42M17-R21 WeakPolarHBondContact O-CA 3.28Å; M17-R21 WeakPolarHBondContact O-CB 3.35Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 3.02Å; L18-R21 PolarHBondContact O-N 3.14Å; R21-S41 WeakPolarHBondContact O-CA 3.49Å; R21-S41 WeakPolarHBondContact O-CB 3.43Å; R21-S41 PolarHBondContact O-OG 3.05Å; R21-I42 PolarHBondContact O-N 3.43Å
22L49.6Very low52Low26 Ų2658.3 Ų58.314%0.13628%0.277CS..EExtended strand (participates in β ladder)trans-141.2102.5174.6-71.3149000108.4H20 F40 V47 I77 E80H20-L22 PolarHBondContact O-N 3.22Å; L22-F40 CarbonylContact C-O 3.59Å; L22-F40 WeakPolarHBondContact CA-O 3.17Å; L22-V47 HydrophobicContact CD2-CG2 3.85Å; L22-I77 HydrophobicContact CB-CB 4.02Å; L22-I77 HydrophobicContact CB-CD1 4.02Å; L22-I77 HydrophobicContact CB-CG1 3.72Å; L22-I77 HydrophobicContact CB-CG2 3.41Å; L22-I77 VanDerWaalsContact CB-CG2 3.41Å; L22-I77 HydrophobicContact CD1-CG1 3.95Å; L22-I77 HydrophobicContact CD2-CD1 3.73Å; L22-I77 HydrophobicContact CD2-CG1 3.74Å; L22-I77 HydrophobicContact CG-CD1 4.35Å; L22-I77 HydrophobicContact CG-CG1 3.98Å; L22-I77 VanDerWaalsContact O-CG2 3.32Å; L22-I77 WeakPolarHBondContact O-CG2 3.31Å; L22-E80 HydrophobicContact CD1-CB 3.9Å; L22-E80 HydrophobicContact CD1-CG 4.42Å; L22-E80 WeakPolarHBondContact CD1-OE2 3.43Å
23T55.4Low52.3Low1 Ų158.9 Ų58.91%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-114.2148.8179.6-45.10000110.5H20 F40 L87 Y89H20-T23 WeakPolarHBondContact CA-OG1 3.23Å; H20-T23 PolarHBondContact O-OG1 2.91Å; H20-T23 VanDerWaalsContact O-OG1 3.11Å; T23-F40 CarbonylContact C-O 3.53Å; T23-F40 HydrophobicContact CG2-CE1 4.39Å; T23-F40 HydrophobicContact CG2-CZ 4.14Å; T23-F40 PolarHBondContact N-O 3.38Å; T23-F40 CarbonylContact O-C 3.48Å; T23-F40 VanDerWaalsContact O-CD1 3.25Å; T23-F40 WeakPolarHBondContact O-CD1 3.21Å; T23-F40 PolarHBondContact O-N 3.14Å; T23-L87 HydrophobicContact CG2-CB 4.07Å; T23-L87 HydrophobicContact CG2-CD2 4.13Å; T23-L87 HydrophobicContact CG2-CG 4.13Å; T23-Y89 HydrophobicContact CG2-CD2 3.48Å; T23-Y89 VanDerWaalsContact CG2-CD2 3.48Å; T23-Y89 HydrophobicContact CG2-CE2 3.46Å; T23-Y89 VanDerWaalsContact CG2-CE2 3.46Å
24S54.8Low52.6Low0 Ų057.7 Ų57.70%027%0.272CS..EExtended strand (participates in β ladder)trans-106.2151.5177.2-63.30000111.5F37 A38 L86 L87 I88 Y89S24-F37 VanDerWaalsContact CB-CZ 3.45Å; S24-A38 CarbonylContact C-O 3.57Å; S24-L86 VanDerWaalsContact OG-CD1 3.31Å; S24-L86 WeakPolarHBondContact OG-CD1 3.41Å; S24-L87 WeakPolarHBondContact CA-O 3.49Å; S24-L87 WeakPolarHBondContact CB-O 3.18Å; S24-L87 PolarHBondContact N-O 2.99Å; S24-I88 CarbonylContact O-C 3.55Å; S24-I88 VanDerWaalsContact O-CA 3.31Å; S24-I88 WeakPolarHBondContact O-CA 3.41Å; S24-Y89 PolarHBondContact O-N 2.63Å
25F56.1Low52.8Low7 Ų752.1 Ų52.13%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-133.3134.4-178.6177.4-109.1000109.7F27 F37 A38 F40 Y89 H91 F121 M178 M182F25-F27 AromaticContact CD1-CD1 3.71Å; F25-F27 HydrophobicContact CD1-CD1 3.71Å; F25-F27 HydrophobicContact CD1-CE1 4.31Å; F25-F27 HydrophobicContact CE1-CB 3.87Å; F25-F27 AromaticContact CE1-CD1 3.29Å; F25-F27 HydrophobicContact CE1-CD1 3.29Å; F25-F27 HydrophobicContact CE1-CE1 4.03Å; F25-F27 AromaticContact CE1-CG 3.9Å; F25-F27 HydrophobicContact CE1-CG 3.9Å; F25-F27 HydrophobicContact CZ-CB 3.99Å; F25-F27 HydrophobicContact CZ-CD1 4.25Å; F25-F27 HydrophobicContact CZ-CG 4.47Å; F25-F37 CarbonylContact O-C 3.4Å; F25-F37 WeakPolarHBondContact O-CA 3.38Å; F25-A38 WeakPolarHBondContact CA-O 3.32Å; F25-A38 HydrophobicContact CD1-CB 4.47Å; F25-A38 PolarHBondContact N-O 3.01Å; F25-A38 PolarHBondContact O-N 2.84Å; F25-F40 HydrophobicContact CB-CD1 4.09Å; F25-F40 HydrophobicContact CB-CE1 3.79Å; F25-Y89 CarbonylContact C-O 3.49Å; F25-Y89 WeakPolarHBondContact CA-O 3.25Å; F25-Y89 VanDerWaalsContact CD2-O 3.3Å; F25-Y89 WeakPolarHBondContact CD2-O 3.4Å; F25-H91 HydrophobicContact CE2-CB 3.77Å; F25-H91 HydrophobicContact CZ-CB 3.71Å; F25-F121 AromaticContact CD2-CD2 3.8Å; F25-F121 HydrophobicContact CD2-CD2 3.8Å; F25-F121 HydrophobicContact CD2-CE2 4.28Å; F25-F121 HydrophobicContact CE2-CB 4.16Å; F25-F121 AromaticContact CE2-CD2 3.3Å; F25-F121 HydrophobicContact CE2-CD2 3.3Å; F25-F121 AromaticContact CE2-CE2 3.82Å; F25-F121 HydrophobicContact CE2-CE2 3.82Å; F25-F121 AromaticContact CE2-CG 3.8Å; F25-F121 HydrophobicContact CE2-CG 3.8Å; F25-F121 HydrophobicContact CZ-CD2 4.29Å; F25-M178 HydrophobicContact CE1-CE 4.38Å; F25-M178 HydrophobicContact CE1-SD 3.52Å; F25-M178 VanDerWaalsContact CE1-SD 3.52Å; F25-M178 HydrophobicContact CZ-SD 3.77Å; F25-M182 HydrophobicContact CE1-CE 3.99Å; F25-M182 HydrophobicContact CE2-CE 4.07Å; F25-M182 HydrophobicContact CZ-CE 3.66Å
26V54.7Low53Low3 Ų344.6 Ų44.62%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-129.3129.7-179174.40000109.4L35 F37 I88 Y89 C90 H91 V98V26-L35 HydrophobicContact CG1-CD1 4.39Å; V26-L35 HydrophobicContact CG1-CD2 3.7Å; V26-L35 HydrophobicContact CG1-CG 4.5Å; V26-F37 HydrophobicContact CB-CD2 4.47Å; V26-F37 HydrophobicContact CG2-CB 4.37Å; V26-F37 HydrophobicContact CG2-CD2 3.04Å; V26-F37 HydrophobicContact CG2-CE2 3.32Å; V26-F37 HydrophobicContact CG2-CG 3.86Å; V26-F37 HydrophobicContact CG2-CZ 4.36Å; V26-I88 HydrophobicContact CB-CG2 3.96Å; V26-I88 HydrophobicContact CG2-CG2 3.36Å; V26-Y89 PolarHBondContact N-O 3.4Å; V26-C90 WeakPolarHBondContact O-CA 3.46Å; V26-H91 PolarHBondContact O-N 2.76Å; V26-V98 HydrophobicContact CG1-CG1 4.28Å; V26-V98 HydrophobicContact CG1-CG2 4.29Å
27F56.3Low53.2Low4 Ų443.7 Ų43.72%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-141151.8175.568.3-85.3000111.4F25 L35 S36 H91 E175 M178F25-F27 AromaticContact CD1-CD1 3.71Å; F25-F27 HydrophobicContact CD1-CD1 3.71Å; F25-F27 HydrophobicContact CD1-CE1 4.31Å; F25-F27 HydrophobicContact CE1-CB 3.87Å; F25-F27 AromaticContact CE1-CD1 3.29Å; F25-F27 HydrophobicContact CE1-CD1 3.29Å; F25-F27 HydrophobicContact CE1-CE1 4.03Å; F25-F27 AromaticContact CE1-CG 3.9Å; F25-F27 HydrophobicContact CE1-CG 3.9Å; F25-F27 HydrophobicContact CZ-CB 3.99Å; F25-F27 HydrophobicContact CZ-CD1 4.25Å; F25-F27 HydrophobicContact CZ-CG 4.47Å; F27-L35 WeakPolarHBondContact O-CA 3.26Å; F27-S36 WeakPolarHBondContact CD1-O 3.46Å; F27-S36 WeakPolarHBondContact CE1-OG 3.45Å; F27-S36 WeakPolarHBondContact CZ-OG 3.38Å; F27-S36 PolarHBondContact N-O 2.93Å; F27-S36 PolarHBondContact O-N 2.94Å; F27-H91 HydrophobicContact CB-CB 4.36Å; F27-E175 HydrophobicContact CZ-CG 4.45Å; F27-M178 HydrophobicContact CB-SD 3.63Å; F27-M178 HydrophobicContact CD1-CE 3.8Å; F27-M178 HydrophobicContact CD1-SD 3.53Å; F27-M178 VanDerWaalsContact CD1-SD 3.53Å; F27-M178 HydrophobicContact CD2-CE 3.66Å; F27-M178 HydrophobicContact CD2-CG 4.5Å; F27-M178 HydrophobicContact CD2-SD 3.35Å; F27-M178 WeakPolarHBondContact CD2-SD 3.46Å; F27-M178 HydrophobicContact CE1-CE 3.42Å; F27-M178 VanDerWaalsContact CE1-CE 3.42Å; F27-M178 HydrophobicContact CE1-SD 3.84Å; F27-M178 HydrophobicContact CE2-CE 3.31Å; F27-M178 HydrophobicContact CE2-SD 3.73Å; F27-M178 HydrophobicContact CG-CE 3.87Å; F27-M178 HydrophobicContact CG-SD 3.22Å; F27-M178 WeakPolarHBondContact CG-SD 3.22Å; F27-M178 HydrophobicContact CZ-CE 3.14Å; F27-M178 HydrophobicContact CZ-SD 3.93Å
28T50.9Low53.5Low19 Ų1942.6 Ų42.612%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-90.2139.3163.5550000109.5G30 E34 L35 S93T28-G30 PolarHBondContact O-N 3.22Å; T28-E34 WeakPolarHBondContact CA-O 3.26Å; T28-L35 HydrophobicContact CG2-CD2 3.39Å; T28-L35 HydrophobicContact CG2-CG 4.22Å; T28-S93 WeakPolarHBondContact CG2-OG 3.43Å
29N50.6Low53.6Low54 Ų5440.5 Ų40.529%0.28921%0.205SC..  trans-77.42617368.43.7000113.5K31 E34N29-K31 PolarHBondContact O-N 2.81Å; N29-K31 WeakPolarHBondContact OD1-CB 3.49Å; N29-K31 PolarHBondContact OD1-N 3.16Å; N29-K31 PolarHBondContact OD1-O 3.15Å; N29-E34 PolarHBondContact ND2-OE2 3.13Å
30G47.5Very low53.7Low61 Ų6138.1 Ų38.163%0.62919%0.188SC*.SBendtrans80.2-20.3-175.900000114.7T28T28-G30 PolarHBondContact O-N 3.22Å
31K48.9Very low53.4Low130 Ų13037.6 Ų37.657%0.56519%0.185SC*.SBendtrans-83.4115.5162.1-61.8179.2-175.61730106.7N29 T33 E34N29-K31 PolarHBondContact O-N 2.81Å; N29-K31 WeakPolarHBondContact OD1-CB 3.49Å; N29-K31 PolarHBondContact OD1-N 3.16Å; N29-K31 PolarHBondContact OD1-O 3.15Å; K31-T33 PolarHBondContact O-N 3.16Å; K31-E34 PolarHBondContact O-N 2.84Å
32R50.3Low53.4Low222 Ų22232.4 Ų32.484%0.83817%0.167SC*.THydrogen-bonded Turntrans-51.1-16.8179.4-74.6-175.7175.2-176.1-2.2113.9
33T52.9Low53.2Low54 Ų5434 Ų3433%0.33118%0.18SC..THydrogen-bonded Turntrans-87.5-10.2-176.8550000114.3K31 D53 L54K31-T33 PolarHBondContact O-N 3.16Å; T33-D53 CarbonylContact O-C 3.52Å; T33-D53 WeakPolarHBondContact O-CA 3.32Å; T33-L54 WeakPolarHBondContact O-CA 3.35Å; T33-L54 WeakPolarHBondContact O-CB 3.1Å; T33-L54 PolarHBondContact O-N 2.72Å
34E55Low52.4Low49 Ų4936.5 Ų36.523%0.22920%0.2CC..EExtended strand (participates in β ladder)trans-126.2123.4-177-69.2172.6-144.800110.6T28 N29 K31T28-E34 WeakPolarHBondContact CA-O 3.26Å; N29-E34 PolarHBondContact ND2-OE2 3.13Å; K31-E34 PolarHBondContact O-N 2.84Å
35L55.7Low51.8Low12 Ų1236.5 Ų36.56%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-108.4119.7170.4-79.5175.4000110.4V26 F27 T28 V52 L54 A101V26-L35 HydrophobicContact CG1-CD1 4.39Å; V26-L35 HydrophobicContact CG1-CD2 3.7Å; V26-L35 HydrophobicContact CG1-CG 4.5Å; F27-L35 WeakPolarHBondContact O-CA 3.26Å; T28-L35 HydrophobicContact CG2-CD2 3.39Å; T28-L35 HydrophobicContact CG2-CG 4.22Å; L35-V52 PolarHBondContact N-O 2.81Å; L35-V52 PolarHBondContact O-N 3.06Å; L35-L54 HydrophobicContact CD1-CD1 3.62Å; L35-L54 HydrophobicContact CD1-CD2 4.11Å; L35-L54 HydrophobicContact CD1-CG 4.13Å; L35-L54 HydrophobicContact CG-CD1 3.82Å; L35-L54 HydrophobicContact CG-CG 4.27Å; L35-A101 HydrophobicContact CD1-CB 2.94Å; L35-A101 HydrophobicContact CG-CB 4.38Å
36S57.9Low51.4Low3 Ų338.4 Ų38.42%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-94.3118.2170.3179.70000108.5F27 R49F27-S36 WeakPolarHBondContact CD1-O 3.46Å; F27-S36 WeakPolarHBondContact CE1-OG 3.45Å; F27-S36 WeakPolarHBondContact CZ-OG 3.38Å; F27-S36 PolarHBondContact N-O 2.93Å; F27-S36 PolarHBondContact O-N 2.94Å; S36-R49 PolarHBondContact OG-NE 3.14Å; S36-R49 PolarHBondContact OG-NH2 2.78Å
37F58.5Low51.1Low8 Ų841 Ų414%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-102.1119.1176.1-164.2-77.2000108.2S24 F25 V26 I39 R49 C50 L70 L86 I88 M102S24-F37 VanDerWaalsContact CB-CZ 3.45Å; F25-F37 CarbonylContact O-C 3.4Å; F25-F37 WeakPolarHBondContact O-CA 3.38Å; V26-F37 HydrophobicContact CB-CD2 4.47Å; V26-F37 HydrophobicContact CG2-CB 4.37Å; V26-F37 HydrophobicContact CG2-CD2 3.04Å; V26-F37 HydrophobicContact CG2-CE2 3.32Å; V26-F37 HydrophobicContact CG2-CG 3.86Å; V26-F37 HydrophobicContact CG2-CZ 4.36Å; F37-I39 HydrophobicContact CD1-CD1 4.4Å; F37-I39 HydrophobicContact CD1-CG1 3.77Å; F37-I39 HydrophobicContact CE1-CD1 3.93Å; F37-I39 HydrophobicContact CE1-CG1 3.37Å; F37-R49 CarbonylContact O-C 3.53Å; F37-R49 WeakPolarHBondContact O-CA 3.43Å; F37-C50 PolarHBondContact N-O 2.64Å; F37-C50 PolarHBondContact O-N 2.58Å; F37-C50 VanDerWaalsContact O-O 3.12Å; F37-L70 HydrophobicContact CB-CD1 4.44Å; F37-L70 HydrophobicContact CB-CD2 3.71Å; F37-L70 HydrophobicContact CD1-CD1 3.65Å; F37-L70 HydrophobicContact CD1-CD2 3.71Å; F37-L70 HydrophobicContact CD1-CG 3.93Å; F37-L70 HydrophobicContact CD2-CD2 4.26Å; F37-L70 HydrophobicContact CE1-CD1 4.32Å; F37-L70 HydrophobicContact CE1-CD2 4.37Å; F37-L70 HydrophobicContact CE1-CG 4.39Å; F37-L70 HydrophobicContact CG-CD1 4.34Å; F37-L70 HydrophobicContact CG-CD2 3.65Å; F37-L70 HydrophobicContact CG-CG 4.38Å; F37-L86 HydrophobicContact CZ-CD2 4.29Å; F37-I88 HydrophobicContact CE2-CD1 4.12Å; F37-I88 HydrophobicContact CE2-CG2 4.17Å; F37-I88 HydrophobicContact CZ-CD1 4.33Å; F37-M102 HydrophobicContact CE2-SD 4.11Å
38A60.2Low51.1Low9 Ų948.7 Ų48.77%0.07426%0.257CS..EExtended strand (participates in β ladder)trans-114.6125.317300000108.7S24 F25S24-A38 CarbonylContact C-O 3.57Å; F25-A38 WeakPolarHBondContact CA-O 3.32Å; F25-A38 HydrophobicContact CD1-CB 4.47Å; F25-A38 PolarHBondContact N-O 3.01Å; F25-A38 PolarHBondContact O-N 2.84Å
39I55.4Low51.5Low0 Ų051.9 Ų51.90%027%0.268CS..EExtended strand (participates in β ladder)trans-95.3125.7170.6-71.7179.6000107F37 V46 V47 R48 L70 A73 A74 I77F37-I39 HydrophobicContact CD1-CD1 4.4Å; F37-I39 HydrophobicContact CD1-CG1 3.77Å; F37-I39 HydrophobicContact CE1-CD1 3.93Å; F37-I39 HydrophobicContact CE1-CG1 3.37Å; I39-V46 CarbonylContact O-C 3.55Å; I39-V46 VanDerWaalsContact O-CA 3.3Å; I39-V46 WeakPolarHBondContact O-CA 3.46Å; I39-V47 HydrophobicContact CG2-CB 4.14Å; I39-V47 PolarHBondContact O-N 3.24Å; I39-R48 HydrophobicContact CB-CB 4.34Å; I39-R48 WeakPolarHBondContact CB-O 3.31Å; I39-R48 HydrophobicContact CD1-CB 4.5Å; I39-R48 PolarHBondContact N-O 3.29Å; I39-R48 PolarHBondContact O-N 3.18Å; I39-L70 HydrophobicContact CD1-CD1 3.91Å; I39-L70 HydrophobicContact CD1-CG 4.48Å; I39-L70 HydrophobicContact CG1-CD1 4.28Å; I39-A73 HydrophobicContact CD1-CB 3.67Å; I39-A74 HydrophobicContact CD1-CB 3.93Å; I39-I77 HydrophobicContact CB-CD1 4.23Å; I39-I77 HydrophobicContact CD1-CD1 4.3Å; I39-I77 HydrophobicContact CG2-CD1 2.85Å; I39-I77 HydrophobicContact CG2-CG1 4.33Å
40F54.5Low51.8Low3 Ų350 Ų501%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-133.2142.5177.169.6-81.4000112.8L22 T23 F25 G45 V46 L124 V170L22-F40 CarbonylContact C-O 3.59Å; L22-F40 WeakPolarHBondContact CA-O 3.17Å; T23-F40 CarbonylContact C-O 3.53Å; T23-F40 HydrophobicContact CG2-CE1 4.39Å; T23-F40 HydrophobicContact CG2-CZ 4.14Å; T23-F40 PolarHBondContact N-O 3.38Å; T23-F40 CarbonylContact O-C 3.48Å; T23-F40 VanDerWaalsContact O-CD1 3.25Å; T23-F40 WeakPolarHBondContact O-CD1 3.21Å; T23-F40 PolarHBondContact O-N 3.14Å; F25-F40 HydrophobicContact CB-CD1 4.09Å; F25-F40 HydrophobicContact CB-CE1 3.79Å; F40-G45 CarbonylContact C-O 3.6Å; F40-G45 WeakPolarHBondContact CA-O 3.49Å; F40-V46 HydrophobicContact CB-CG2 4.18Å; F40-L124 HydrophobicContact CZ-CD2 3.87Å; F40-V170 HydrophobicContact CB-CG2 4.2Å; F40-V170 HydrophobicContact CD2-CG1 4.35Å; F40-V170 HydrophobicContact CD2-CG2 3.41Å; F40-V170 VanDerWaalsContact CD2-CG2 3.41Å; F40-V170 HydrophobicContact CE2-CG1 4.45Å; F40-V170 HydrophobicContact CE2-CG2 3.94Å; F40-V170 HydrophobicContact CG-CG1 4.36Å; F40-V170 HydrophobicContact CG-CG2 3.89Å
41S48.7Very low52.3Low3 Ų351.1 Ų51.12%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-98141.8165.7176.10000108.6R21 S43 A44 G45R21-S41 WeakPolarHBondContact O-CA 3.49Å; R21-S41 WeakPolarHBondContact O-CB 3.43Å; R21-S41 PolarHBondContact O-OG 3.05Å; S41-S43 PolarHBondContact O-N 3.5Å; S41-S43 PolarHBondContact OG-N 3.4Å; S41-S43 VanDerWaalsContact OG-N 3.09Å; S41-S43 PolarHBondContact OG-OG 2.94Å; S41-A44 VanDerWaalsContact CB-N 3.32Å; S41-A44 PolarHBondContact OG-N 3.31Å; S41-G45 PolarHBondContact N-O 3.34Å; S41-G45 WeakPolarHBondContact O-CA 3.31Å; S41-G45 PolarHBondContact O-N 3.43Å
42I48.2Very low52.6Low13 Ų1345.4 Ų45.47%0.06723%0.225CC..THydrogen-bonded Turntrans-63.6-38167.7-65.6174.4000110.1F16 M17 H20 R21 F162F16-I42 HydrophobicContact CE1-CD1 4.24Å; M17-I42 HydrophobicContact CE-CB 4.3Å; M17-I42 HydrophobicContact CE-CG2 3.76Å; M17-I42 HydrophobicContact SD-CG2 3.78Å; H20-I42 HydrophobicContact CB-CD1 3.47Å; H20-I42 VanDerWaalsContact CB-CD1 3.47Å; H20-I42 HydrophobicContact CB-CG1 4.49Å; R21-I42 PolarHBondContact O-N 3.43Å; I42-F162 HydrophobicContact CB-CE2 4.48Å; I42-F162 HydrophobicContact CD1-CE2 3.78Å; I42-F162 HydrophobicContact CD1-CZ 3.96Å; I42-F162 HydrophobicContact CG1-CE2 4.4Å; I42-F162 HydrophobicContact CG2-CD2 3.8Å; I42-F162 HydrophobicContact CG2-CE2 3.39Å; I42-F162 HydrophobicContact CG2-CZ 4.25Å
43S43.7Very low52.8Low60 Ų6037.1 Ų37.142%0.4220%0.197SC..THydrogen-bonded Turntrans-76.4-37178.239.80000114.2S41S41-S43 PolarHBondContact O-N 3.5Å; S41-S43 PolarHBondContact OG-N 3.4Å; S41-S43 VanDerWaalsContact OG-N 3.09Å; S41-S43 PolarHBondContact OG-OG 2.94Å
44A39.4Very low52.8Low52 Ų5237.7 Ų37.743%0.4320%0.198SC..THydrogen-bonded Turntrans-108.4-12.4-173.300000114.3S41 V47 R169S41-A44 VanDerWaalsContact CB-N 3.32Å; S41-A44 PolarHBondContact OG-N 3.31Å; A44-V47 HydrophobicContact CB-CG2 4.24Å; A44-R169 PolarHBondContact O-NH1 3.38Å
45G43.4Very low52.6Low1 Ų138.5 Ų38.51%0.0121%0.209CC..EExtended strand (participates in β ladder)trans82.8-163.1-175.800000115.7F40 S41 V47 R169F40-G45 CarbonylContact C-O 3.6Å; F40-G45 WeakPolarHBondContact CA-O 3.49Å; S41-G45 PolarHBondContact N-O 3.34Å; S41-G45 WeakPolarHBondContact O-CA 3.31Å; S41-G45 PolarHBondContact O-N 3.43Å; G45-V47 VanDerWaalsContact O-CG2 3.28Å; G45-V47 WeakPolarHBondContact O-CG2 3.45Å; G45-V47 PolarHBondContact O-N 3.18Å; G45-R169 VanDerWaalsContact CA-CD 3.43Å
46V46.4Very low52.3Low46 Ų4640.6 Ų40.628%0.27922%0.219SC..EExtended strand (participates in β ladder)trans-55103.8168.2175.70000108.9I39 F40 R49 R169 P173I39-V46 CarbonylContact O-C 3.55Å; I39-V46 VanDerWaalsContact O-CA 3.3Å; I39-V46 WeakPolarHBondContact O-CA 3.46Å; F40-V46 HydrophobicContact CB-CG2 4.18Å; V46-R49 HydrophobicContact CG1-CB 4.26Å; V46-R169 WeakPolarHBondContact CG2-O 3.3Å; V46-R169 PolarHBondContact N-O 2.95Å; V46-P173 HydrophobicContact CB-CB 4.42Å; V46-P173 HydrophobicContact CG2-CB 3.81Å; V46-P173 HydrophobicContact CG2-CG 4.11Å
47V49.6Very low51.7Low59 Ų5943.2 Ų43.236%0.35825%0.246SC..EExtended strand (participates in β ladder)trans-77.8-40.1179.9-176.50000109L22 I39 A44 G45L22-V47 HydrophobicContact CD2-CG2 3.85Å; I39-V47 HydrophobicContact CG2-CB 4.14Å; I39-V47 PolarHBondContact O-N 3.24Å; A44-V47 HydrophobicContact CB-CG2 4.24Å; G45-V47 VanDerWaalsContact O-CG2 3.28Å; G45-V47 WeakPolarHBondContact O-CG2 3.45Å; G45-V47 PolarHBondContact O-N 3.18Å
48R55.1Low51Low164 Ų16449.1 Ų49.162%0.61928%0.283SS*.EExtended strand (participates in β ladder)trans-151.2145.6178.1-72.2-60.9-177.4-148.70.6111.2I39 A73I39-R48 HydrophobicContact CB-CB 4.34Å; I39-R48 WeakPolarHBondContact CB-O 3.31Å; I39-R48 HydrophobicContact CD1-CB 4.5Å; I39-R48 PolarHBondContact N-O 3.29Å; I39-R48 PolarHBondContact O-N 3.18Å; R48-A73 HydrophobicContact CB-CB 4.26Å; R48-A73 HydrophobicContact CG-CB 3.85Å
49R58.6Low50.1Low87 Ų8752.9 Ų52.933%0.32830%0.302SS..EExtended strand (participates in β ladder)trans-127.7141.1171.7-176.7177.2174.3-170.8-8.1109.7S36 F37 V46 E175S36-R49 PolarHBondContact OG-NE 3.14Å; S36-R49 PolarHBondContact OG-NH2 2.78Å; F37-R49 CarbonylContact O-C 3.53Å; F37-R49 WeakPolarHBondContact O-CA 3.43Å; V46-R49 HydrophobicContact CG1-CB 4.26Å; R49-E175 IonicContact CZ-OE1 2.84Å; R49-E175 IonicContact NH2-OE1 3.98Å; R49-E175 PolarHBondContact NH2-OE1 3.29Å
50C58.4Low49.7Very low13 Ų1363.3 Ų63.39%0.08834%0.341CS..EExtended strand (participates in β ladder)trans-140.1141.3173.2-1780000109.3F37 L70F37-C50 PolarHBondContact N-O 2.64Å; F37-C50 PolarHBondContact O-N 2.58Å; F37-C50 VanDerWaalsContact O-O 3.12Å; C50-L70 HydrophobicContact CB-CB 4.02Å; C50-L70 HydrophobicContact CB-CD1 3.49Å; C50-L70 VanDerWaalsContact CB-CD1 3.49Å; C50-L70 HydrophobicContact CB-CD2 3.76Å; C50-L70 HydrophobicContact CB-CG 3.94Å
51I56.7Low49.3Very low86 Ų8666.7 Ų66.744%0.44138%0.377SS..EExtended strand (participates in β ladder)trans-107.4129.6169.6-59.1173.5000106.9
52V55.2Low49.3Very low9 Ų975.4 Ų75.46%0.05541%0.414CS..EExtended strand (participates in β ladder)trans-118.5122178.7178.20000108.7L35 L54 I67 F105L35-V52 PolarHBondContact N-O 2.81Å; L35-V52 PolarHBondContact O-N 3.06Å; V52-L54 HydrophobicContact CG1-CD2 4.44Å; V52-I67 HydrophobicContact CG1-CD1 4.1Å; V52-I67 HydrophobicContact CG2-CD1 4.36Å; V52-I67 HydrophobicContact CG2-CG1 3.95Å; V52-F105 HydrophobicContact CB-CZ 4.32Å; V52-F105 HydrophobicContact CG1-CE2 4.47Å; V52-F105 HydrophobicContact CG1-CZ 4.36Å; V52-F105 HydrophobicContact CG2-CE1 4.35Å; V52-F105 HydrophobicContact CG2-CE2 4.44Å; V52-F105 HydrophobicContact CG2-CZ 3.59Å
53D55.7Low49.5Very low49 Ų4977 Ų7726%0.26242%0.421SS..EExtended strand (participates in β ladder)trans-86.1109.5175.2-172-14.8000109.5T33 S55 Q63T33-D53 CarbonylContact O-C 3.52Å; T33-D53 WeakPolarHBondContact O-CA 3.32Å; D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 VanDerWaalsContact CG-OG 3.26Å; D53-S55 WeakPolarHBondContact OD1-CA 3.3Å; D53-S55 VanDerWaalsContact OD1-CB 3.26Å; D53-S55 WeakPolarHBondContact OD1-CB 3.29Å; D53-S55 PolarHBondContact OD1-N 2.81Å; D53-S55 PolarHBondContact OD1-OG 2.84Å; D53-S55 PolarHBondContact OD2-OG 3.4Å; D53-Q63 PolarHBondContact O-NE2 2.8Å
54L51.9Low50Low65 Ų6577 Ų7734%0.3443%0.425SS..THydrogen-bonded Turntrans-72.9-17174-57.1-178.6000113.7T33 L35 V52 E56 A101T33-L54 WeakPolarHBondContact O-CA 3.35Å; T33-L54 WeakPolarHBondContact O-CB 3.1Å; T33-L54 PolarHBondContact O-N 2.72Å; L35-L54 HydrophobicContact CD1-CD1 3.62Å; L35-L54 HydrophobicContact CD1-CD2 4.11Å; L35-L54 HydrophobicContact CD1-CG 4.13Å; L35-L54 HydrophobicContact CG-CD1 3.82Å; L35-L54 HydrophobicContact CG-CG 4.27Å; V52-L54 HydrophobicContact CG1-CD2 4.44Å; L54-E56 PolarHBondContact O-N 2.91Å; L54-A101 HydrophobicContact CD1-CB 4.03Å; L54-A101 HydrophobicContact CD2-CB 3.63Å; L54-A101 HydrophobicContact CG-CB 4.44Å
55S51.1Low50.9Low67 Ų6781.5 Ų81.547%0.46944%0.435SS..THydrogen-bonded Turntrans-69.8-22.4-179.167.20000113.5D53 G57D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 VanDerWaalsContact CG-OG 3.26Å; D53-S55 WeakPolarHBondContact OD1-CA 3.3Å; D53-S55 VanDerWaalsContact OD1-CB 3.26Å; D53-S55 WeakPolarHBondContact OD1-CB 3.29Å; D53-S55 PolarHBondContact OD1-N 2.81Å; D53-S55 PolarHBondContact OD1-OG 2.84Å; D53-S55 PolarHBondContact OD2-OG 3.4Å; S55-G57 PolarHBondContact O-N 3.35Å
56E48.9Very low51.5Low56 Ų5686.2 Ų86.226%0.26246%0.46SS..  trans-81.762.6-175.9-68-159.8135.200112.4L54 T58 N59 Q63L54-E56 PolarHBondContact O-N 2.91Å; E56-T58 PolarHBondContact O-N 2.9Å; E56-T58 VanDerWaalsContact O-N 3.14Å; E56-N59 HydrophobicContact CB-CB 4.03Å; E56-N59 HydrophobicContact CG-CB 4.03Å; E56-N59 WeakPolarHBondContact OE1-CB 3.43Å; E56-N59 PolarHBondContact OE1-ND2 3.21Å; E56-Q63 PolarHBondContact OE2-NE2 2.65Å
57G47.1Very low52.1Low58 Ų5884.3 Ų84.360%0.59845%0.448SS*.SBendtrans-57.4-20.2163.900000113.2S55S55-G57 PolarHBondContact O-N 3.35Å
58T43.9Very low52.6Low132 Ų13286.8 Ų86.881%0.8145%0.454SS*.SBendtrans-113.3-18.1-173.644.10000115.8E56E56-T58 PolarHBondContact O-N 2.9Å; E56-T58 VanDerWaalsContact O-N 3.14Å
59N41.1Very low52.8Low87 Ų8786.5 Ų86.547%0.46545%0.453SS..  trans-104.342-176.5-88.2-14.2000113.6E56 G61 K62E56-N59 HydrophobicContact CB-CB 4.03Å; E56-N59 HydrophobicContact CG-CB 4.03Å; E56-N59 WeakPolarHBondContact OE1-CB 3.43Å; E56-N59 PolarHBondContact OE1-ND2 3.21Å; N59-G61 PolarHBondContact O-N 3.38Å; N59-K62 PolarHBondContact O-N 3.5Å
60R45.2Very low52.9Low220 Ų22082.7 Ų82.783%0.8344%0.439SS*.THydrogen-bonded Turntrans-48.8-20.9-178.5-71.3-174.5179.4-176.80.2115.7
61G47.9Very low53Low74 Ų7482.2 Ų82.276%0.76344%0.436SS*.THydrogen-bonded Turntrans-72.1-27.5-177.700000115.9N59N59-G61 PolarHBondContact O-N 3.38Å
62K48.4Very low53.5Low185 Ų18582.6 Ų82.680%0.80444%0.436SS*.THydrogen-bonded Turntrans-96.9-18.1-168.9-78.7-176.8178.6178.20115.6N59N59-K62 PolarHBondContact O-N 3.5Å
63Q52.8Low53.8Low47 Ų4782.8 Ų82.822%0.2244%0.438CS..SBendtrans-83.7-14.8-175.3-59.9-165.7-6.900114.9D53 E56 K65 N66 I67D53-Q63 PolarHBondContact O-NE2 2.8Å; E56-Q63 PolarHBondContact OE2-NE2 2.65Å; Q63-K65 PolarHBondContact O-N 3.16Å; Q63-K65 VanDerWaalsContact O-N 3.16Å; Q63-N66 PolarHBondContact O-N 3.04Å; Q63-I67 HydrophobicContact CB-CD1 3.69Å; Q63-I67 HydrophobicContact CB-CG1 4.38Å; Q63-I67 WeakPolarHBondContact O-CG1 3.44Å; Q63-I67 PolarHBondContact O-N 3.22Å
64A53.6Low54.2Low61 Ų6180.5 Ų80.550%0.50443%0.426SS..Hα-helixtrans-60.4-36.2-162.300000114.9K68A64-K68 VanDerWaalsContact O-CB 3.23Å; A64-K68 WeakPolarHBondContact O-CB 3.45Å; A64-K68 PolarHBondContact O-N 2.8Å
65K57.9Low54.8Low145 Ų14577.9 Ų77.963%0.6341%0.414SS*.Hα-helixtrans-73.1-40.3-171.6-163.6176.1-178179.40113.1Q63 R69Q63-K65 PolarHBondContact O-N 3.16Å; Q63-K65 VanDerWaalsContact O-N 3.16Å; K65-R69 WeakPolarHBondContact O-CG 3.44Å; K65-R69 PolarHBondContact O-N 3.27Å
66N56.3Low55.5Low100 Ų10078.6 Ų78.654%0.53541%0.412SS..Hα-helixtrans-76.6-42-178.9-71.4-12.6000111.2Q63 K68 R69 L70Q63-N66 PolarHBondContact O-N 3.04Å; N66-K68 VanDerWaalsContact C-N 3.33Å; N66-K68 PolarHBondContact O-N 3.13Å; N66-R69 PolarHBondContact O-N 3.33Å; N66-L70 PolarHBondContact O-N 3.07Å
67I58Low56Low7 Ų776.4 Ų76.44%0.03640%0.402CS..Hα-helixtrans-59.6-45175.1-64.4-179000110.3V52 Q63 R69 L70 V71 F105 F109V52-I67 HydrophobicContact CG1-CD1 4.1Å; V52-I67 HydrophobicContact CG2-CD1 4.36Å; V52-I67 HydrophobicContact CG2-CG1 3.95Å; Q63-I67 HydrophobicContact CB-CD1 3.69Å; Q63-I67 HydrophobicContact CB-CG1 4.38Å; Q63-I67 WeakPolarHBondContact O-CG1 3.44Å; Q63-I67 PolarHBondContact O-N 3.22Å; I67-R69 PolarHBondContact O-N 2.98Å; I67-L70 WeakPolarHBondContact O-CB 3.19Å; I67-L70 PolarHBondContact O-N 3.46Å; I67-V71 HydrophobicContact CG2-CG2 4.4Å; I67-V71 WeakPolarHBondContact O-CG2 3.44Å; I67-V71 PolarHBondContact O-N 3.29Å; I67-F105 HydrophobicContact CB-CE1 4.4Å; I67-F105 HydrophobicContact CG1-CE1 4.41Å; I67-F105 HydrophobicContact CG2-CD1 3.68Å; I67-F105 HydrophobicContact CG2-CE1 3.61Å; I67-F105 HydrophobicContact CG2-CG 4.49Å; I67-F105 HydrophobicContact CG2-CZ 4.44Å; I67-F109 HydrophobicContact CG2-CE2 3.92Å
68K60.6Low56.8Low111 Ų11173.7 Ų73.748%0.48337%0.374SS..Hα-helixtrans-57.2-46.7177-179.2161.8-176.6-175.40113.3A64 N66 L70 V71 H72 F109A64-K68 VanDerWaalsContact O-CB 3.23Å; A64-K68 WeakPolarHBondContact O-CB 3.45Å; A64-K68 PolarHBondContact O-N 2.8Å; N66-K68 VanDerWaalsContact C-N 3.33Å; N66-K68 PolarHBondContact O-N 3.13Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.26Å; K68-V71 PolarHBondContact O-N 3.05Å; K68-H72 WeakPolarHBondContact CE-NE2 3.49Å; K68-H72 PolarHBondContact O-CD2 2.99Å; K68-H72 PolarHBondContact O-N 3.06Å; K68-F109 HydrophobicContact CB-CE1 3.9Å; K68-F109 HydrophobicContact CB-CZ 3.51Å; K68-F109 HydrophobicContact CD-CE1 4.09Å; K68-F109 HydrophobicContact CD-CZ 4.43Å; K68-F109 HydrophobicContact CG-CE1 3.61Å; K68-F109 HydrophobicContact CG-CZ 3.8Å
69R60.3Low57.8Low157 Ų15774 Ų7459%0.59237%0.366SS*.Hα-helixtrans-64-39.7178.6-73.4173.9172.5-174.5-6.8111.9K65 N66 I67 A73K65-R69 WeakPolarHBondContact O-CG 3.44Å; K65-R69 PolarHBondContact O-N 3.27Å; N66-R69 PolarHBondContact O-N 3.33Å; I67-R69 PolarHBondContact O-N 2.98Å; R69-A73 PolarHBondContact O-N 2.84Å
70L59.5Low58.7Low7 Ų776.5 Ų76.54%0.03738%0.375CS..Hα-helixtrans-63.1-44.2176-169.672.9000111.5F37 I39 C50 N66 I67 K68 A73 A74 F105F37-L70 HydrophobicContact CB-CD1 4.44Å; F37-L70 HydrophobicContact CB-CD2 3.71Å; F37-L70 HydrophobicContact CD1-CD1 3.65Å; F37-L70 HydrophobicContact CD1-CD2 3.71Å; F37-L70 HydrophobicContact CD1-CG 3.93Å; F37-L70 HydrophobicContact CD2-CD2 4.26Å; F37-L70 HydrophobicContact CE1-CD1 4.32Å; F37-L70 HydrophobicContact CE1-CD2 4.37Å; F37-L70 HydrophobicContact CE1-CG 4.39Å; F37-L70 HydrophobicContact CG-CD1 4.34Å; F37-L70 HydrophobicContact CG-CD2 3.65Å; F37-L70 HydrophobicContact CG-CG 4.38Å; I39-L70 HydrophobicContact CD1-CD1 3.91Å; I39-L70 HydrophobicContact CD1-CG 4.48Å; I39-L70 HydrophobicContact CG1-CD1 4.28Å; C50-L70 HydrophobicContact CB-CB 4.02Å; C50-L70 HydrophobicContact CB-CD1 3.49Å; C50-L70 VanDerWaalsContact CB-CD1 3.49Å; C50-L70 HydrophobicContact CB-CD2 3.76Å; C50-L70 HydrophobicContact CB-CG 3.94Å; N66-L70 PolarHBondContact O-N 3.07Å; I67-L70 WeakPolarHBondContact O-CB 3.19Å; I67-L70 PolarHBondContact O-N 3.46Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.26Å; L70-A73 PolarHBondContact O-N 2.88Å; L70-A74 VanDerWaalsContact O-CB 3.3Å; L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 3.48Å; L70-F105 HydrophobicContact CD2-CD1 4.49Å; L70-F105 HydrophobicContact CD2-CE1 3.54Å; L70-F105 HydrophobicContact CD2-CZ 4.03Å
71V62Low59.4Low3 Ų366.9 Ų66.92%0.01834%0.342CS..Hα-helixtrans-65-42.5180167.20000111.3I67 K68 A74 A75 F105 F109 F112I67-V71 HydrophobicContact CG2-CG2 4.4Å; I67-V71 WeakPolarHBondContact O-CG2 3.44Å; I67-V71 PolarHBondContact O-N 3.29Å; K68-V71 PolarHBondContact O-N 3.05Å; V71-A74 PolarHBondContact O-N 3.17Å; V71-A75 WeakPolarHBondContact O-CB 3.12Å; V71-A75 PolarHBondContact O-N 3.24Å; V71-F105 HydrophobicContact CG2-CB 4.32Å; V71-F105 HydrophobicContact CG2-CD1 3.51Å; V71-F105 HydrophobicContact CG2-CE1 4.35Å; V71-F105 HydrophobicContact CG2-CG 4.4Å; V71-F109 HydrophobicContact CB-CB 4.45Å; V71-F109 HydrophobicContact CB-CD1 4.2Å; V71-F109 HydrophobicContact CB-CD2 3.65Å; V71-F109 HydrophobicContact CB-CE1 4.47Å; V71-F109 HydrophobicContact CB-CE2 3.91Å; V71-F109 HydrophobicContact CB-CG 3.82Å; V71-F109 HydrophobicContact CB-CZ 4.35Å; V71-F109 HydrophobicContact CG1-CB 3.35Å; V71-F109 HydrophobicContact CG1-CD1 3.63Å; V71-F109 HydrophobicContact CG1-CD2 3.47Å; V71-F109 VanDerWaalsContact CG1-CD2 3.47Å; V71-F109 HydrophobicContact CG1-CE1 4.35Å; V71-F109 HydrophobicContact CG1-CE2 4.18Å; V71-F109 HydrophobicContact CG1-CG 3.14Å; V71-F109 HydrophobicContact CG2-CD2 3.4Å; V71-F109 VanDerWaalsContact CG2-CD2 3.4Å; V71-F109 HydrophobicContact CG2-CE2 3.65Å; V71-F109 HydrophobicContact CG2-CG 4.06Å; V71-F112 HydrophobicContact CB-CD2 4.24Å; V71-F112 HydrophobicContact CG1-CB 4.17Å; V71-F112 HydrophobicContact CG1-CD2 3.66Å; V71-F112 HydrophobicContact CG1-CG 4.41Å; V71-F112 HydrophobicContact CG2-CD2 4.03Å; V71-F112 HydrophobicContact CG2-CE2 4.4Å
72H65.7Low59.9Low95 Ų9567 Ų6744%0.4433%0.329SS..Hα-helixtrans-57.8-50.7172.7-80.5-66.4000110.9K68 A74 A75 D76K68-H72 WeakPolarHBondContact CE-NE2 3.49Å; K68-H72 PolarHBondContact O-CD2 2.99Å; K68-H72 PolarHBondContact O-N 3.06Å; H72-A74 VanDerWaalsContact C-N 3.3Å; H72-A74 PolarHBondContact O-N 3.02Å; H72-A75 PolarHBondContact O-N 2.81Å; H72-A75 VanDerWaalsContact O-N 3.14Å; H72-D76 WeakPolarHBondContact O-CB 3.17Å; H72-D76 PolarHBondContact O-N 3Å
73A61.7Low60.7Low13 Ų1363.8 Ų63.811%0.10732%0.321CS..Hα-helixtrans-59.3-40.2177.700000112.9I39 R48 R69 L70 I77I39-A73 HydrophobicContact CD1-CB 3.67Å; R48-A73 HydrophobicContact CB-CB 4.26Å; R48-A73 HydrophobicContact CG-CB 3.85Å; R69-A73 PolarHBondContact O-N 2.84Å; L70-A73 PolarHBondContact O-N 2.88Å; A73-I77 WeakPolarHBondContact O-CB 3.37Å; A73-I77 VanDerWaalsContact O-CD1 3.29Å; A73-I77 WeakPolarHBondContact O-CD1 3.18Å; A73-I77 WeakPolarHBondContact O-CG1 3.39Å; A73-I77 PolarHBondContact O-N 2.81Å; A73-I77 VanDerWaalsContact O-N 3.13Å
74A64Low61.3Low1 Ų168.2 Ų68.21%0.00834%0.341CS..Hα-helixtrans-69.6-36.6177.600000112.7I39 L70 V71 H72 I77 A78 L86 F112I39-A74 HydrophobicContact CD1-CB 3.93Å; L70-A74 VanDerWaalsContact O-CB 3.3Å; L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 3.48Å; V71-A74 PolarHBondContact O-N 3.17Å; H72-A74 VanDerWaalsContact C-N 3.3Å; H72-A74 PolarHBondContact O-N 3.02Å; A74-I77 PolarHBondContact O-N 2.96Å; A74-A78 PolarHBondContact O-N 3.02Å; A74-L86 HydrophobicContact CB-CD1 4.33Å; A74-L86 HydrophobicContact CB-CD2 3.75Å; A74-L86 WeakPolarHBondContact O-CD1 3.4Å; A74-F112 HydrophobicContact CB-CE2 3.72Å; A74-F112 HydrophobicContact CB-CZ 4.48Å
75A65.1Low62Low9 Ų968.8 Ų68.87%0.07433%0.334CS..Hα-helixtrans-69.9-46.3176.800000111.3V71 H72 I77 A78 Q79 P113V71-A75 WeakPolarHBondContact O-CB 3.12Å; V71-A75 PolarHBondContact O-N 3.24Å; H72-A75 PolarHBondContact O-N 2.81Å; H72-A75 VanDerWaalsContact O-N 3.14Å; A75-I77 PolarHBondContact O-N 2.75Å; A75-A78 PolarHBondContact O-N 2.83Å; A75-Q79 VanDerWaalsContact O-CG 3.32Å; A75-Q79 WeakPolarHBondContact O-CG 3.37Å; A75-Q79 PolarHBondContact O-N 2.77Å; A75-P113 HydrophobicContact CB-CG 4.49Å
76D64.9Low62.5Low83 Ų8361.9 Ų61.944%0.44430%0.304SS..Hα-helixtrans-54.7-40174.3-61.8-18.7000109.7H72 Q79 E80H72-D76 WeakPolarHBondContact O-CB 3.17Å; H72-D76 PolarHBondContact O-N 3Å; D76-Q79 PolarHBondContact O-N 2.64Å; D76-E80 WeakPolarHBondContact O-CG 3.41Å; D76-E80 PolarHBondContact O-N 2.86Å
77I60Low63.1Low9 Ų958.4 Ų58.45%0.04629%0.285CS..Hα-helixtrans-69.2-46178.8-78.4175.1000114.2L22 I39 A73 A74 A75 Q79 E80 S81 L86L22-I77 HydrophobicContact CB-CB 4.02Å; L22-I77 HydrophobicContact CB-CD1 4.02Å; L22-I77 HydrophobicContact CB-CG1 3.72Å; L22-I77 HydrophobicContact CB-CG2 3.41Å; L22-I77 VanDerWaalsContact CB-CG2 3.41Å; L22-I77 HydrophobicContact CD1-CG1 3.95Å; L22-I77 HydrophobicContact CD2-CD1 3.73Å; L22-I77 HydrophobicContact CD2-CG1 3.74Å; L22-I77 HydrophobicContact CG-CD1 4.35Å; L22-I77 HydrophobicContact CG-CG1 3.98Å; L22-I77 VanDerWaalsContact O-CG2 3.32Å; L22-I77 WeakPolarHBondContact O-CG2 3.31Å; I39-I77 HydrophobicContact CB-CD1 4.23Å; I39-I77 HydrophobicContact CD1-CD1 4.3Å; I39-I77 HydrophobicContact CG2-CD1 2.85Å; I39-I77 HydrophobicContact CG2-CG1 4.33Å; A73-I77 WeakPolarHBondContact O-CB 3.37Å; A73-I77 VanDerWaalsContact O-CD1 3.29Å; A73-I77 WeakPolarHBondContact O-CD1 3.18Å; A73-I77 WeakPolarHBondContact O-CG1 3.39Å; A73-I77 PolarHBondContact O-N 2.81Å; A73-I77 VanDerWaalsContact O-N 3.13Å; A74-I77 PolarHBondContact O-N 2.96Å; A75-I77 PolarHBondContact O-N 2.75Å; I77-Q79 PolarHBondContact O-N 2.8Å; I77-E80 PolarHBondContact O-N 2.78Å; I77-E80 VanDerWaalsContact O-N 3.17Å; I77-S81 PolarHBondContact O-N 2.78Å; I77-S81 VanDerWaalsContact O-N 3.07Å; I77-L86 HydrophobicContact CB-CD1 4.35Å; I77-L86 HydrophobicContact CG2-CD1 3.64Å
78A63.5Low63.6Low1 Ų158 Ų581%0.00828%0.283CS..Hα-helixtrans-62.1-40.5176.400000110A74 A75 E80 S81 E84 L86 P113A74-A78 PolarHBondContact O-N 3.02Å; A75-A78 PolarHBondContact O-N 2.83Å; A78-E80 PolarHBondContact O-N 2.7Å; A78-S81 VanDerWaalsContact O-CB 3.3Å; A78-S81 WeakPolarHBondContact O-CB 3.33Å; A78-S81 PolarHBondContact O-N 3.1Å; A78-S81 PolarHBondContact O-OG 2.77Å; A78-E84 CarbonylContact O-C 3.57Å; A78-E84 WeakPolarHBondContact O-CA 3.42Å; A78-L86 HydrophobicContact CB-CB 4.11Å; A78-P113 HydrophobicContact CB-CB 3.6Å; A78-P113 HydrophobicContact CB-CG 3.11Å
79Q64.6Low64Low138 Ų13852.8 Ų52.865%0.64526%0.26SS*.Hα-helixtrans-60.9-32175.8-71.9176.19.700112.9A75 D76 I77 S81A75-Q79 VanDerWaalsContact O-CG 3.32Å; A75-Q79 WeakPolarHBondContact O-CG 3.37Å; A75-Q79 PolarHBondContact O-N 2.77Å; D76-Q79 PolarHBondContact O-N 2.64Å; I77-Q79 PolarHBondContact O-N 2.8Å; Q79-S81 VanDerWaalsContact C-N 3.33Å
80E60.5Low64.2Low140 Ų14045.7 Ų45.765%0.65424%0.235SC*.Hα-helixtrans-79.7-13173.5-71.9-173.8-154.600113.8L22 D76 I77 A78L22-E80 HydrophobicContact CD1-CB 3.9Å; L22-E80 HydrophobicContact CD1-CG 4.42Å; L22-E80 WeakPolarHBondContact CD1-OE2 3.43Å; D76-E80 WeakPolarHBondContact O-CG 3.41Å; D76-E80 PolarHBondContact O-N 2.86Å; I77-E80 PolarHBondContact O-N 2.78Å; I77-E80 VanDerWaalsContact O-N 3.17Å; A78-E80 PolarHBondContact O-N 2.7Å
81S60.4Low64.3Low19 Ų1945.5 Ų45.513%0.13323%0.234CC..SBendtrans-77.6148.217981.50000111.7I77 A78 Q79 N83 E84 Q85I77-S81 PolarHBondContact O-N 2.78Å; I77-S81 VanDerWaalsContact O-N 3.07Å; A78-S81 VanDerWaalsContact O-CB 3.3Å; A78-S81 WeakPolarHBondContact O-CB 3.33Å; A78-S81 PolarHBondContact O-N 3.1Å; A78-S81 PolarHBondContact O-OG 2.77Å; Q79-S81 VanDerWaalsContact C-N 3.33Å; S81-N83 PolarHBondContact O-N 3.01Å; S81-E84 PolarHBondContact O-N 3.11Å; S81-E84 VanDerWaalsContact O-N 3.13Å; S81-E84 WeakPolarHBondContact OG-CA 3.3Å; S81-E84 PolarHBondContact OG-N 2.84Å; S81-E84 VanDerWaalsContact OG-N 3.16Å; S81-Q85 PolarHBondContact OG-N 2.77Å; S81-Q85 PolarHBondContact OG-O 2.83Å; S81-Q85 VanDerWaalsContact OG-O 3.04Å
82P58.6Low64.2Low77 Ų7751.5 Ų51.550%0.526%0.261SS..THydrogen-bonded Turntrans-58.4-26.1-177.3-26.334.2000115.4L18L18-P82 HydrophobicContact CB-CG 4.09Å; L18-P82 WeakPolarHBondContact O-CD 3.26Å
83N64.7Low63.9Low117 Ų11747.7 Ų47.763%0.62625%0.246SC*.THydrogen-bonded Turntrans-111.911-176.5-65.2-26.7000112.6S81 Q85S81-N83 PolarHBondContact O-N 3.01Å; N83-Q85 HydrophobicContact CB-CB 4.32Å; N83-Q85 HydrophobicContact CB-CG 4.16Å; N83-Q85 PolarHBondContact O-N 2.71Å; N83-Q85 VanDerWaalsContact O-N 3.15Å
84E65.7Low63.9Low139 Ų13949.5 Ų49.565%0.6526%0.257SS*.SBendtrans54.929-172.5-61.5-178.8-162.500113.5A78 S81A78-E84 CarbonylContact O-C 3.57Å; A78-E84 WeakPolarHBondContact O-CA 3.42Å; S81-E84 PolarHBondContact O-N 3.11Å; S81-E84 VanDerWaalsContact O-N 3.13Å; S81-E84 WeakPolarHBondContact OG-CA 3.3Å; S81-E84 PolarHBondContact OG-N 2.84Å; S81-E84 VanDerWaalsContact OG-N 3.16Å
85Q68Low63.9Low74 Ų7456.8 Ų56.835%0.34629%0.285SS..  trans-109.4137.6-174.6-79.1179.8-10.900111.9S81 N83 N115S81-Q85 PolarHBondContact OG-N 2.77Å; S81-Q85 PolarHBondContact OG-O 2.83Å; S81-Q85 VanDerWaalsContact OG-O 3.04Å; N83-Q85 HydrophobicContact CB-CB 4.32Å; N83-Q85 HydrophobicContact CB-CG 4.16Å; N83-Q85 PolarHBondContact O-N 2.71Å; N83-Q85 VanDerWaalsContact O-N 3.15Å; Q85-N115 VanDerWaalsContact CA-O 3.28Å; Q85-N115 WeakPolarHBondContact CA-O 3.35Å; Q85-N115 HydrophobicContact CG-CB 3.76Å
86L69Low63.9Low0 Ų062.1 Ų62.10%031%0.308CS..EExtended strand (participates in β ladder)trans-90.6108.3168.6-169.767.3000110.1S24 F37 A74 I77 A78 I88 F112 P113 N115 Y116 V117S24-L86 VanDerWaalsContact OG-CD1 3.31Å; S24-L86 WeakPolarHBondContact OG-CD1 3.41Å; F37-L86 HydrophobicContact CZ-CD2 4.29Å; A74-L86 HydrophobicContact CB-CD1 4.33Å; A74-L86 HydrophobicContact CB-CD2 3.75Å; A74-L86 WeakPolarHBondContact O-CD1 3.4Å; I77-L86 HydrophobicContact CB-CD1 4.35Å; I77-L86 HydrophobicContact CG2-CD1 3.64Å; A78-L86 HydrophobicContact CB-CB 4.11Å; L86-I88 HydrophobicContact CD2-CD1 3.93Å; L86-I88 HydrophobicContact CD2-CG1 4.04Å; L86-I88 HydrophobicContact CG-CD1 4.37Å; L86-I88 HydrophobicContact CG-CG1 3.97Å; L86-F112 HydrophobicContact CD2-CE1 4.27Å; L86-F112 HydrophobicContact CD2-CE2 3.96Å; L86-F112 HydrophobicContact CD2-CZ 3.4Å; L86-P113 HydrophobicContact CB-CB 4.44Å; L86-P113 HydrophobicContact CB-CG 4.3Å; L86-N115 PolarHBondContact N-O 2.91Å; L86-N115 VanDerWaalsContact N-O 3.16Å; L86-Y116 CarbonylContact O-C 3.55Å; L86-Y116 WeakPolarHBondContact O-CA 3.27Å; L86-Y116 WeakPolarHBondContact O-CB 3.32Å; L86-V117 PolarHBondContact O-N 2.9Å
87L68.6Low63.8Low26 Ų2661.8 Ų61.814%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-82126.5172.5-170.762.6000110.1T23 S24 Y89 V117 K119T23-L87 HydrophobicContact CG2-CB 4.07Å; T23-L87 HydrophobicContact CG2-CD2 4.13Å; T23-L87 HydrophobicContact CG2-CG 4.13Å; S24-L87 WeakPolarHBondContact CA-O 3.49Å; S24-L87 WeakPolarHBondContact CB-O 3.18Å; S24-L87 PolarHBondContact N-O 2.99Å; L87-Y89 HydrophobicContact CD2-CE2 3.77Å; L87-Y89 WeakPolarHBondContact CD2-OH 3.43Å; L87-Y89 HydrophobicContact CG-CE2 4.12Å; L87-V117 HydrophobicContact CD1-CB 3.75Å; L87-V117 HydrophobicContact CD1-CG1 3.77Å; L87-K119 HydrophobicContact CD1-CD 3.8Å; L87-K119 HydrophobicContact CD1-CG 3.95Å
88I69.2Low63.8Low0 Ų061.4 Ų61.40%030%0.304CS..EExtended strand (participates in β ladder)trans-125.8112.9-176.5-47.2178.1000109.8S24 V26 F37 L86 M102 Y116 V117 L118 K119S24-I88 CarbonylContact O-C 3.55Å; S24-I88 VanDerWaalsContact O-CA 3.31Å; S24-I88 WeakPolarHBondContact O-CA 3.41Å; V26-I88 HydrophobicContact CB-CG2 3.96Å; V26-I88 HydrophobicContact CG2-CG2 3.36Å; F37-I88 HydrophobicContact CE2-CD1 4.12Å; F37-I88 HydrophobicContact CE2-CG2 4.17Å; F37-I88 HydrophobicContact CZ-CD1 4.33Å; L86-I88 HydrophobicContact CD2-CD1 3.93Å; L86-I88 HydrophobicContact CD2-CG1 4.04Å; L86-I88 HydrophobicContact CG-CD1 4.37Å; L86-I88 HydrophobicContact CG-CG1 3.97Å; I88-M102 HydrophobicContact CD1-CE 3.85Å; I88-M102 HydrophobicContact CD1-SD 4.24Å; I88-Y116 HydrophobicContact CD1-CD2 3.99Å; I88-Y116 HydrophobicContact CD1-CG 4.29Å; I88-V117 PolarHBondContact N-O 3.37Å; I88-L118 HydrophobicContact CB-CD2 3.71Å; I88-L118 HydrophobicContact CD1-CD2 3.85Å; I88-L118 HydrophobicContact CG1-CD2 4.21Å; I88-L118 HydrophobicContact CG2-CD2 4.14Å; I88-L118 WeakPolarHBondContact O-CA 3.05Å; I88-K119 PolarHBondContact O-N 2.8Å
89Y67.5Low64Low0 Ų064.5 Ų64.50%032%0.319CS..EExtended strand (participates in β ladder)trans-86.8126.7175-72.9-67.1000111.6T23 S24 F25 V26 L87 K119 P120 E123 L124 E127T23-Y89 HydrophobicContact CG2-CD2 3.48Å; T23-Y89 VanDerWaalsContact CG2-CD2 3.48Å; T23-Y89 HydrophobicContact CG2-CE2 3.46Å; T23-Y89 VanDerWaalsContact CG2-CE2 3.46Å; S24-Y89 PolarHBondContact O-N 2.63Å; F25-Y89 CarbonylContact C-O 3.49Å; F25-Y89 WeakPolarHBondContact CA-O 3.25Å; F25-Y89 VanDerWaalsContact CD2-O 3.3Å; F25-Y89 WeakPolarHBondContact CD2-O 3.4Å; V26-Y89 PolarHBondContact N-O 3.4Å; L87-Y89 HydrophobicContact CD2-CE2 3.77Å; L87-Y89 WeakPolarHBondContact CD2-OH 3.43Å; L87-Y89 HydrophobicContact CG-CE2 4.12Å; Y89-K119 CarbonylContact C-O 3.48Å; Y89-K119 VanDerWaalsContact CA-O 3.31Å; Y89-K119 WeakPolarHBondContact CA-O 3.1Å; Y89-K119 HydrophobicContact CD1-CB 3.56Å; Y89-K119 HydrophobicContact CE1-CB 3.47Å; Y89-K119 VanDerWaalsContact CE1-CB 3.47Å; Y89-K119 HydrophobicContact CE1-CD 3.61Å; Y89-K119 HydrophobicContact CE1-CG 4.19Å; Y89-P120 WeakPolarHBondContact CD1-O 3.37Å; Y89-E123 HydrophobicContact CE1-CB 4.21Å; Y89-L124 HydrophobicContact CD1-CB 3.67Å; Y89-L124 HydrophobicContact CD2-CB 3.79Å; Y89-L124 HydrophobicContact CD2-CD1 4.09Å; Y89-L124 HydrophobicContact CD2-CD2 3.79Å; Y89-L124 HydrophobicContact CD2-CG 4.1Å; Y89-L124 HydrophobicContact CE1-CB 3.66Å; Y89-L124 HydrophobicContact CE2-CB 3.75Å; Y89-L124 HydrophobicContact CE2-CD1 3.58Å; Y89-L124 HydrophobicContact CE2-CD2 4.17Å; Y89-L124 HydrophobicContact CE2-CG 4.02Å; Y89-L124 HydrophobicContact CG-CB 3.75Å; Y89-L124 HydrophobicContact CG-CD2 4.22Å; Y89-L124 HydrophobicContact CG-CG 4.49Å; Y89-E127 PolarHBondContact OH-OE2 3.09Å
90C64.5Low63.9Low9 Ų964.8 Ų64.86%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-108.1122.5-171.7-53.70000110.3V26 V98 K119 F121V26-C90 WeakPolarHBondContact O-CA 3.46Å; C90-V98 HydrophobicContact CB-CG2 4.03Å; C90-K119 PolarHBondContact N-O 3.49Å; C90-F121 WeakPolarHBondContact O-CB 3.07Å; C90-F121 PolarHBondContact O-N 3.45Å
91H62.5Low63.8Low2 Ų258.3 Ų58.31%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-113.8134.1174.9-177.2-110.8000111.2F25 V26 F27 S93 F121F25-H91 HydrophobicContact CE2-CB 3.77Å; F25-H91 HydrophobicContact CZ-CB 3.71Å; V26-H91 PolarHBondContact O-N 2.76Å; F27-H91 HydrophobicContact CB-CB 4.36Å; H91-S93 PolarHBondContact O-N 3.42Å; H91-F121 HydrophobicContact CB-CB 3.81Å; H91-F121 HydrophobicContact CB-CD1 4.38Å; H91-F121 HydrophobicContact CB-CG 4.14Å; H91-F121 AromaticContact CD2-CD1 3.66Å
92Q59.7Low64Low129 Ų12957.6 Ų57.660%0.60329%0.285SS*.SBendtrans57.41.3179.2-70.5174.8-7.700116.6
93S58.7Low64.3Low16 Ų1656.4 Ų56.411%0.11228%0.276CS..SBendtrans-106.3137.5175.5-61.50000109.4T28 H91T28-S93 WeakPolarHBondContact CG2-OG 3.43Å; H91-S93 PolarHBondContact O-N 3.42Å
94S61.8Low63.9Low50 Ų5053.5 Ų53.535%0.3526%0.264SS..  trans-66.1153.9167.684.80000109.4E96 N97 V98S94-E96 WeakPolarHBondContact CB-OE2 3.39Å; S94-E96 PolarHBondContact O-N 3.4Å; S94-E96 PolarHBondContact OG-OE2 3.37Å; S94-N97 PolarHBondContact O-N 2.73Å; S94-N97 VanDerWaalsContact O-N 3.12Å; S94-N97 PolarHBondContact OG-N 2.86Å; S94-V98 PolarHBondContact O-N 2.97Å
95R63.5Low63.5Low155 Ų15547.2 Ų47.259%0.58524%0.235SC*.Hα-helixtrans-53-41.8177.2178.9-179.7171.9158.80.4111N97 V98 E99 L118R95-N97 PolarHBondContact O-N 2.71Å; R95-V98 PolarHBondContact O-N 3.24Å; R95-E99 HydrophobicContact CG-CG 4.4Å; R95-E99 IonicContact CZ-OE1 3.6Å; R95-E99 IonicContact NE-OE1 3.1Å; R95-E99 PolarHBondContact NE-OE1 3.21Å; R95-E99 IonicContact NH2-OE1 3.44Å; R95-E99 PolarHBondContact NH2-OE1 2.8Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 3.2Å; R95-L118 HydrophobicContact CG-CD1 4.13Å
96E66.5Low63.2Low121 Ų12146.8 Ų46.857%0.56524%0.237SC*.Hα-helixtrans-62.5-43.2-179.9-55.374.1-159.800111.6S94 V98 E99 E100S94-E96 WeakPolarHBondContact CB-OE2 3.39Å; S94-E96 PolarHBondContact O-N 3.4Å; S94-E96 PolarHBondContact OG-OE2 3.37Å; E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 PolarHBondContact O-N 3.4Å; E96-E99 PolarHBondContact O-N 2.82Å; E96-E100 WeakPolarHBondContact O-CB 3.19Å; E96-E100 PolarHBondContact O-N 3.02Å
97N61.5Low62.8Low75 Ų7554.4 Ų54.440%0.40127%0.27SS..Hα-helixtrans-62.7-38.6177.2-71.7-12.2000111.5S94 R95 A101S94-N97 PolarHBondContact O-N 2.73Å; S94-N97 VanDerWaalsContact O-N 3.12Å; S94-N97 PolarHBondContact OG-N 2.86Å; R95-N97 PolarHBondContact O-N 2.71Å; N97-A101 VanDerWaalsContact O-CB 3.26Å; N97-A101 WeakPolarHBondContact O-CB 3.08Å; N97-A101 PolarHBondContact O-N 2.99Å
98V61.4Low62Low1 Ų158 Ų581%0.00629%0.288CS..Hα-helixtrans-70.1-42.4176.7-179.30000110.4V26 C90 S94 R95 E96 E100 A101 M102 L118V26-V98 HydrophobicContact CG1-CG1 4.28Å; V26-V98 HydrophobicContact CG1-CG2 4.29Å; C90-V98 HydrophobicContact CB-CG2 4.03Å; S94-V98 PolarHBondContact O-N 2.97Å; R95-V98 PolarHBondContact O-N 3.24Å; E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 PolarHBondContact O-N 3.4Å; V98-E100 PolarHBondContact O-N 3.29Å; V98-A101 PolarHBondContact O-N 3.42Å; V98-M102 HydrophobicContact CG1-CG 4.1Å; V98-M102 VanDerWaalsContact O-CB 3.31Å; V98-M102 WeakPolarHBondContact O-CB 2.97Å; V98-M102 WeakPolarHBondContact O-CG 3.49Å; V98-M102 PolarHBondContact O-N 2.7Å; V98-L118 HydrophobicContact CB-CD1 4.06Å; V98-L118 HydrophobicContact CG1-CD1 3.86Å; V98-L118 HydrophobicContact CG1-CD2 3.74Å; V98-L118 HydrophobicContact CG1-CG 4.45Å
99E66.7Low61.1Low67 Ų6759.4 Ų59.431%0.31329%0.294SS..Hα-helixtrans-60.7-43.7175.4-71.8177.5177.500112.2R95 E96 A101 M102 T103 L118R95-E99 HydrophobicContact CG-CG 4.4Å; R95-E99 IonicContact CZ-OE1 3.6Å; R95-E99 IonicContact NE-OE1 3.1Å; R95-E99 PolarHBondContact NE-OE1 3.21Å; R95-E99 IonicContact NH2-OE1 3.44Å; R95-E99 PolarHBondContact NH2-OE1 2.8Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 3.2Å; E96-E99 PolarHBondContact O-N 2.82Å; E99-A101 VanDerWaalsContact C-N 3.35Å; E99-A101 PolarHBondContact O-N 3Å; E99-M102 PolarHBondContact O-N 3.21Å; E99-T103 PolarHBondContact O-N 3.19Å; E99-T103 PolarHBondContact O-OG1 2.97Å; E99-L118 HydrophobicContact CG-CD1 3.45Å; E99-L118 VanDerWaalsContact CG-CD1 3.45Å
100E63.4Low60.7Low143 Ų14368.5 Ų68.567%0.66834%0.337SS*.Hα-helixtrans-61.6-45.1175.9-175173.4-170.100110.9E96 V98 M102 T103 P104E96-E100 WeakPolarHBondContact O-CB 3.19Å; E96-E100 PolarHBondContact O-N 3.02Å; V98-E100 PolarHBondContact O-N 3.29Å; E100-M102 VanDerWaalsContact C-N 3.32Å; E100-M102 PolarHBondContact O-N 3.23Å; E100-T103 WeakPolarHBondContact O-CB 3.44Å; E100-T103 PolarHBondContact O-N 3.49Å; E100-T103 VanDerWaalsContact O-N 3.14Å; E100-T103 PolarHBondContact O-OG1 3.37Å; E100-P104 WeakPolarHBondContact O-CD 3.43Å
101A58.7Low60.3Low4 Ų471 Ų713%0.03336%0.363CS..Hα-helixtrans-67.4-30.1175.800000114.9L35 L54 N97 V98 E99 T103 P104 F105L35-A101 HydrophobicContact CD1-CB 2.94Å; L35-A101 HydrophobicContact CG-CB 4.38Å; L54-A101 HydrophobicContact CD1-CB 4.03Å; L54-A101 HydrophobicContact CD2-CB 3.63Å; L54-A101 HydrophobicContact CG-CB 4.44Å; N97-A101 VanDerWaalsContact O-CB 3.26Å; N97-A101 WeakPolarHBondContact O-CB 3.08Å; N97-A101 PolarHBondContact O-N 2.99Å; V98-A101 PolarHBondContact O-N 3.42Å; E99-A101 VanDerWaalsContact C-N 3.35Å; E99-A101 PolarHBondContact O-N 3Å; A101-T103 VanDerWaalsContact C-N 3.27Å; A101-P104 WeakPolarHBondContact O-CD 3.21Å; A101-F105 WeakPolarHBondContact O-CD2 3Å; A101-F105 VanDerWaalsContact O-CE2 3.28Å; A101-F105 WeakPolarHBondContact O-CE2 3.01Å
102M63.5Low60.2Low4 Ų471.3 Ų71.32%0.0237%0.365CS..Hα-helixtrans-75.5-18.5174.4-72.8-57.1-6500111.6F37 I88 V98 E99 E100 F105 V106 F112 Y116F37-M102 HydrophobicContact CE2-SD 4.11Å; I88-M102 HydrophobicContact CD1-CE 3.85Å; I88-M102 HydrophobicContact CD1-SD 4.24Å; V98-M102 HydrophobicContact CG1-CG 4.1Å; V98-M102 VanDerWaalsContact O-CB 3.31Å; V98-M102 WeakPolarHBondContact O-CB 2.97Å; V98-M102 WeakPolarHBondContact O-CG 3.49Å; V98-M102 PolarHBondContact O-N 2.7Å; E99-M102 PolarHBondContact O-N 3.21Å; E100-M102 VanDerWaalsContact C-N 3.32Å; E100-M102 PolarHBondContact O-N 3.23Å; M102-F105 HydrophobicContact CE-CB 4.14Å; M102-F105 HydrophobicContact CE-CG 4.4Å; M102-F105 WeakPolarHBondContact O-CA 3.42Å; M102-F105 WeakPolarHBondContact O-CB 3.05Å; M102-F105 PolarHBondContact O-N 2.84Å; M102-F105 HydrophobicContact SD-CD2 4.04Å; M102-F105 HydrophobicContact SD-CE2 4.39Å; M102-F105 HydrophobicContact SD-CG 4.39Å; M102-V106 WeakPolarHBondContact O-CG2 3.36Å; M102-V106 PolarHBondContact O-N 3.42Å; M102-F112 HydrophobicContact CE-CE1 3.61Å; M102-F112 HydrophobicContact CE-CE2 4.22Å; M102-F112 HydrophobicContact CE-CZ 3.31Å; M102-Y116 HydrophobicContact CB-CE2 4.5Å; M102-Y116 HydrophobicContact CG-CE2 4.49Å
103T64.7Low60.2Low52 Ų5265.9 Ų65.932%0.31934%0.341SS..Hα-helixtrans-57.3-46.2-177.5-65.80000113E99 E100 A101 F105 K107E99-T103 PolarHBondContact O-N 3.19Å; E99-T103 PolarHBondContact O-OG1 2.97Å; E100-T103 WeakPolarHBondContact O-CB 3.44Å; E100-T103 PolarHBondContact O-N 3.49Å; E100-T103 VanDerWaalsContact O-N 3.14Å; E100-T103 PolarHBondContact O-OG1 3.37Å; A101-T103 VanDerWaalsContact C-N 3.27Å; T103-F105 VanDerWaalsContact C-N 3.32Å; T103-F105 PolarHBondContact O-N 3.22Å; T103-K107 HydrophobicContact CG2-CD 3.75Å; T103-K107 VanDerWaalsContact CG2-CE 3.44Å; T103-K107 HydrophobicContact CG2-CG 4.29Å; T103-K107 VanDerWaalsContact O-CB 3.27Å; T103-K107 WeakPolarHBondContact O-CB 3.35Å; T103-K107 VanDerWaalsContact O-CG 3.27Å; T103-K107 WeakPolarHBondContact O-CG 3.22Å; T103-K107 PolarHBondContact O-N 3.48Å
104P56Low60.2Low56 Ų5674 Ų7436%0.36437%0.374SS..Hα-helixtrans-56.4-40.8169.7-25.632.9000113.5E100 A101 K107 I108E100-P104 WeakPolarHBondContact O-CD 3.43Å; A101-P104 WeakPolarHBondContact O-CD 3.21Å; P104-K107 PolarHBondContact O-N 3.41Å; P104-I108 HydrophobicContact CB-CD1 4.16Å; P104-I108 VanDerWaalsContact O-CB 3.23Å; P104-I108 WeakPolarHBondContact O-CB 3.17Å; P104-I108 VanDerWaalsContact O-CD1 3.3Å; P104-I108 WeakPolarHBondContact O-CD1 3.47Å; P104-I108 WeakPolarHBondContact O-CG1 3.14Å; P104-I108 PolarHBondContact O-N 2.91Å
105F57.3Low60.4Low8 Ų876.1 Ų76.14%0.03538%0.382CS..Hα-helixtrans-64.6-48.4-179.6-64.2-94.4000111.8V52 I67 L70 V71 A101 M102 T103 K107 F109V52-F105 HydrophobicContact CB-CZ 4.32Å; V52-F105 HydrophobicContact CG1-CE2 4.47Å; V52-F105 HydrophobicContact CG1-CZ 4.36Å; V52-F105 HydrophobicContact CG2-CE1 4.35Å; V52-F105 HydrophobicContact CG2-CE2 4.44Å; V52-F105 HydrophobicContact CG2-CZ 3.59Å; I67-F105 HydrophobicContact CB-CE1 4.4Å; I67-F105 HydrophobicContact CG1-CE1 4.41Å; I67-F105 HydrophobicContact CG2-CD1 3.68Å; I67-F105 HydrophobicContact CG2-CE1 3.61Å; I67-F105 HydrophobicContact CG2-CG 4.49Å; I67-F105 HydrophobicContact CG2-CZ 4.44Å; L70-F105 HydrophobicContact CD2-CD1 4.49Å; L70-F105 HydrophobicContact CD2-CE1 3.54Å; L70-F105 HydrophobicContact CD2-CZ 4.03Å; V71-F105 HydrophobicContact CG2-CB 4.32Å; V71-F105 HydrophobicContact CG2-CD1 3.51Å; V71-F105 HydrophobicContact CG2-CE1 4.35Å; V71-F105 HydrophobicContact CG2-CG 4.4Å; A101-F105 WeakPolarHBondContact O-CD2 3Å; A101-F105 VanDerWaalsContact O-CE2 3.28Å; A101-F105 WeakPolarHBondContact O-CE2 3.01Å; M102-F105 HydrophobicContact CE-CB 4.14Å; M102-F105 HydrophobicContact CE-CG 4.4Å; M102-F105 WeakPolarHBondContact O-CA 3.42Å; M102-F105 WeakPolarHBondContact O-CB 3.05Å; M102-F105 PolarHBondContact O-N 2.84Å; M102-F105 HydrophobicContact SD-CD2 4.04Å; M102-F105 HydrophobicContact SD-CE2 4.39Å; M102-F105 HydrophobicContact SD-CG 4.39Å; T103-F105 VanDerWaalsContact C-N 3.32Å; T103-F105 PolarHBondContact O-N 3.22Å; F105-K107 VanDerWaalsContact C-N 3.33Å; F105-K107 PolarHBondContact O-N 3.37Å; F105-F109 PolarHBondContact O-N 2.83Å
106V61.9Low60.7Low64 Ų6471.8 Ų71.839%0.38837%0.366SS..Hα-helixtrans-63.3-40177.4178.80000110.9M102 F112 Y116M102-V106 WeakPolarHBondContact O-CG2 3.36Å; M102-V106 PolarHBondContact O-N 3.42Å; V106-F112 HydrophobicContact CG2-CD1 4.25Å; V106-Y116 HydrophobicContact CG2-CD1 4.45Å; V106-Y116 HydrophobicContact CG2-CE1 3.66Å
107K60.1Low60.9Low161 Ų16168.3 Ų68.370%0.735%0.353SS*.Hα-helixtrans-72.9-40.8-179.7-76.2179.5179.6171.30113.4T103 P104 F105 F109T103-K107 HydrophobicContact CG2-CD 3.75Å; T103-K107 VanDerWaalsContact CG2-CE 3.44Å; T103-K107 HydrophobicContact CG2-CG 4.29Å; T103-K107 VanDerWaalsContact O-CB 3.27Å; T103-K107 WeakPolarHBondContact O-CB 3.35Å; T103-K107 VanDerWaalsContact O-CG 3.27Å; T103-K107 WeakPolarHBondContact O-CG 3.22Å; T103-K107 PolarHBondContact O-N 3.48Å; P104-K107 PolarHBondContact O-N 3.41Å; F105-K107 VanDerWaalsContact C-N 3.33Å; F105-K107 PolarHBondContact O-N 3.37Å; K107-F109 VanDerWaalsContact C-N 3.34Å
108I52.3Low61.2Low100 Ų10065.9 Ų65.951%0.51334%0.34SS..Hα-helixtrans-73.9-30.4-175.7-65.3164.3000110.6P104P104-I108 HydrophobicContact CB-CD1 4.16Å; P104-I108 VanDerWaalsContact O-CB 3.23Å; P104-I108 WeakPolarHBondContact O-CB 3.17Å; P104-I108 VanDerWaalsContact O-CD1 3.3Å; P104-I108 WeakPolarHBondContact O-CD1 3.47Å; P104-I108 WeakPolarHBondContact O-CG1 3.14Å; P104-I108 PolarHBondContact O-N 2.91Å
109F51.2Low61.6Low31 Ų3168.2 Ų68.214%0.13635%0.35CS..  trans-121.497.5-173.7-62.5-82.5000111I67 K68 V71 F105 K107 G111 F112I67-F109 HydrophobicContact CG2-CE2 3.92Å; K68-F109 HydrophobicContact CB-CE1 3.9Å; K68-F109 HydrophobicContact CB-CZ 3.51Å; K68-F109 HydrophobicContact CD-CE1 4.09Å; K68-F109 HydrophobicContact CD-CZ 4.43Å; K68-F109 HydrophobicContact CG-CE1 3.61Å; K68-F109 HydrophobicContact CG-CZ 3.8Å; V71-F109 HydrophobicContact CB-CB 4.45Å; V71-F109 HydrophobicContact CB-CD1 4.2Å; V71-F109 HydrophobicContact CB-CD2 3.65Å; V71-F109 HydrophobicContact CB-CE1 4.47Å; V71-F109 HydrophobicContact CB-CE2 3.91Å; V71-F109 HydrophobicContact CB-CG 3.82Å; V71-F109 HydrophobicContact CB-CZ 4.35Å; V71-F109 HydrophobicContact CG1-CB 3.35Å; V71-F109 HydrophobicContact CG1-CD1 3.63Å; V71-F109 HydrophobicContact CG1-CD2 3.47Å; V71-F109 VanDerWaalsContact CG1-CD2 3.47Å; V71-F109 HydrophobicContact CG1-CE1 4.35Å; V71-F109 HydrophobicContact CG1-CE2 4.18Å; V71-F109 HydrophobicContact CG1-CG 3.14Å; V71-F109 HydrophobicContact CG2-CD2 3.4Å; V71-F109 VanDerWaalsContact CG2-CD2 3.4Å; V71-F109 HydrophobicContact CG2-CE2 3.65Å; V71-F109 HydrophobicContact CG2-CG 4.06Å; F105-F109 PolarHBondContact O-N 2.83Å; K107-F109 VanDerWaalsContact C-N 3.34Å; F109-G111 PolarHBondContact O-N 3.48Å; F109-F112 HydrophobicContact CB-CB 4.01Å; F109-F112 WeakPolarHBondContact O-CB 3.31Å; F109-F112 PolarHBondContact O-N 3.22Å
110Q58.3Low61.8Low191 Ų19167.7 Ų67.789%0.89335%0.352SS*.THydrogen-bonded Turntrans-55.8-18.1172.2-65.8-175.3-8.600113.4
111G56.6Low62.1Low60 Ų6061 Ų6162%0.61932%0.321SS*.THydrogen-bonded Turntrans-102.93.4175.400000115.4F109F109-G111 PolarHBondContact O-N 3.48Å
112F61.1Low62.7Low9 Ų964.4 Ų64.44%0.03934%0.336CS..SBendtrans-59.5143.8167.1-169.7-99.6000108.3V71 A74 L86 M102 V106 F109 K114 Y116V71-F112 HydrophobicContact CB-CD2 4.24Å; V71-F112 HydrophobicContact CG1-CB 4.17Å; V71-F112 HydrophobicContact CG1-CD2 3.66Å; V71-F112 HydrophobicContact CG1-CG 4.41Å; V71-F112 HydrophobicContact CG2-CD2 4.03Å; V71-F112 HydrophobicContact CG2-CE2 4.4Å; A74-F112 HydrophobicContact CB-CE2 3.72Å; A74-F112 HydrophobicContact CB-CZ 4.48Å; L86-F112 HydrophobicContact CD2-CE1 4.27Å; L86-F112 HydrophobicContact CD2-CE2 3.96Å; L86-F112 HydrophobicContact CD2-CZ 3.4Å; M102-F112 HydrophobicContact CE-CE1 3.61Å; M102-F112 HydrophobicContact CE-CE2 4.22Å; M102-F112 HydrophobicContact CE-CZ 3.31Å; V106-F112 HydrophobicContact CG2-CD1 4.25Å; F109-F112 HydrophobicContact CB-CB 4.01Å; F109-F112 WeakPolarHBondContact O-CB 3.31Å; F109-F112 PolarHBondContact O-N 3.22Å; F112-K114 PolarHBondContact O-N 3.44Å; F112-Y116 HydrophobicContact CD1-CD1 4.46Å; F112-Y116 AromaticContact CE1-CD1 3.86Å; F112-Y116 HydrophobicContact CE1-CD1 3.86Å; F112-Y116 HydrophobicContact CE1-CG 4.31Å
113P58.4Low63.1Low16 Ų1667.8 Ų67.810%0.10435%0.352CS..  trans-52.3117.4-179.7-23.734000108.9A75 A78 L86 N115A75-P113 HydrophobicContact CB-CG 4.49Å; A78-P113 HydrophobicContact CB-CB 3.6Å; A78-P113 HydrophobicContact CB-CG 3.11Å; L86-P113 HydrophobicContact CB-CB 4.44Å; L86-P113 HydrophobicContact CB-CG 4.3Å; P113-N115 PolarHBondContact O-N 2.73Å; P113-N115 VanDerWaalsContact O-N 3.11Å
114K59.7Low63.4Low186 Ų18665.5 Ų65.581%0.80934%0.338SS*.SBendtrans-59.8-24177.8-71-175.8179.7177.10111.1F112F112-K114 PolarHBondContact O-N 3.44Å
115N66.1Low64.1Low95 Ų9564.2 Ų64.251%0.50833%0.327SS..  trans-110.795.6179.5-56.2-27.6000108.9Q85 L86 P113Q85-N115 VanDerWaalsContact CA-O 3.28Å; Q85-N115 WeakPolarHBondContact CA-O 3.35Å; Q85-N115 HydrophobicContact CG-CB 3.76Å; L86-N115 PolarHBondContact N-O 2.91Å; L86-N115 VanDerWaalsContact N-O 3.16Å; P113-N115 PolarHBondContact O-N 2.73Å; P113-N115 VanDerWaalsContact O-N 3.11Å
116Y69.7Low64.7Low63 Ų6369 Ų6925%0.24735%0.354CS..EExtended strand (participates in β ladder)trans-109147.9161.664.1-87.3000108.9L86 I88 M102 V106 F112 L118L86-Y116 CarbonylContact O-C 3.55Å; L86-Y116 WeakPolarHBondContact O-CA 3.27Å; L86-Y116 WeakPolarHBondContact O-CB 3.32Å; I88-Y116 HydrophobicContact CD1-CD2 3.99Å; I88-Y116 HydrophobicContact CD1-CG 4.29Å; M102-Y116 HydrophobicContact CB-CE2 4.5Å; M102-Y116 HydrophobicContact CG-CE2 4.49Å; V106-Y116 HydrophobicContact CG2-CD1 4.45Å; V106-Y116 HydrophobicContact CG2-CE1 3.66Å; F112-Y116 HydrophobicContact CD1-CD1 4.46Å; F112-Y116 AromaticContact CE1-CD1 3.86Å; F112-Y116 HydrophobicContact CE1-CD1 3.86Å; F112-Y116 HydrophobicContact CE1-CG 4.31Å; Y116-L118 HydrophobicContact CD2-CD2 3.7Å; Y116-L118 HydrophobicContact CD2-CG 3.95Å; Y116-L118 HydrophobicContact CE2-CD1 4.13Å; Y116-L118 HydrophobicContact CE2-CD2 3.84Å; Y116-L118 HydrophobicContact CE2-CG 3.83Å
117V69.5Low65Low48 Ų4868.2 Ų68.229%0.29135%0.346SS..EExtended strand (participates in β ladder)trans-115.6120.8178.9179.60000107.6L86 L87 I88 K119L86-V117 PolarHBondContact O-N 2.9Å; L87-V117 HydrophobicContact CD1-CB 3.75Å; L87-V117 HydrophobicContact CD1-CG1 3.77Å; I88-V117 PolarHBondContact N-O 3.37Å; V117-K119 HydrophobicContact CG1-CG 4.28Å
118L69Low65.5Low25 Ų2560.7 Ų60.713%0.13131%0.313CS..EExtended strand (participates in β ladder)trans-90.4129.5172.7-58-175.5000109.2I88 R95 V98 E99 Y116I88-L118 HydrophobicContact CB-CD2 3.71Å; I88-L118 HydrophobicContact CD1-CD2 3.85Å; I88-L118 HydrophobicContact CG1-CD2 4.21Å; I88-L118 HydrophobicContact CG2-CD2 4.14Å; I88-L118 WeakPolarHBondContact O-CA 3.05Å; R95-L118 HydrophobicContact CG-CD1 4.13Å; V98-L118 HydrophobicContact CB-CD1 4.06Å; V98-L118 HydrophobicContact CG1-CD1 3.86Å; V98-L118 HydrophobicContact CG1-CD2 3.74Å; V98-L118 HydrophobicContact CG1-CG 4.45Å; E99-L118 HydrophobicContact CG-CD1 3.45Å; E99-L118 VanDerWaalsContact CG-CD1 3.45Å; Y116-L118 HydrophobicContact CD2-CD2 3.7Å; Y116-L118 HydrophobicContact CD2-CG 3.95Å; Y116-L118 HydrophobicContact CE2-CD1 4.13Å; Y116-L118 HydrophobicContact CE2-CD2 3.84Å; Y116-L118 HydrophobicContact CE2-CG 3.83Å
119K69Low66.2Low49 Ų4956.5 Ų56.521%0.21329%0.294CS..EExtended strand (participates in β ladder)trans-127.7149.1172.2-74.7-170.8173.4-179.50110.5L87 I88 Y89 C90 V117 E123 E127L87-K119 HydrophobicContact CD1-CD 3.8Å; L87-K119 HydrophobicContact CD1-CG 3.95Å; I88-K119 PolarHBondContact O-N 2.8Å; Y89-K119 CarbonylContact C-O 3.48Å; Y89-K119 VanDerWaalsContact CA-O 3.31Å; Y89-K119 WeakPolarHBondContact CA-O 3.1Å; Y89-K119 HydrophobicContact CD1-CB 3.56Å; Y89-K119 HydrophobicContact CE1-CB 3.47Å; Y89-K119 VanDerWaalsContact CE1-CB 3.47Å; Y89-K119 HydrophobicContact CE1-CD 3.61Å; Y89-K119 HydrophobicContact CE1-CG 4.19Å; C90-K119 PolarHBondContact N-O 3.49Å; V117-K119 HydrophobicContact CG1-CG 4.28Å; K119-E123 HydrophobicContact CB-CB 4.5Å; K119-E123 HydrophobicContact CD-CB 4.44Å; K119-E123 WeakPolarHBondContact CD-OE2 3.3Å; K119-E123 WeakPolarHBondContact CE-OE2 3.17Å; K119-E123 WeakPolarHBondContact CG-OE2 3.04Å; K119-E127 IonicContact NZ-OE1 3.86Å; K119-E127 PolarHBondContact NZ-OE1 2.98Å; K119-E127 IonicContact NZ-OE2 3.65Å
120P70.4Confident66.8Low56 Ų5661.6 Ų61.636%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-63.7144.8167.729.3-34.4000110.1Y89 E122 E123Y89-P120 WeakPolarHBondContact CD1-O 3.37Å; P120-E122 PolarHBondContact O-N 3.34Å; P120-E123 WeakPolarHBondContact CD-OE1 3.11Å; P120-E123 HydrophobicContact CG-CB 4.16Å; P120-E123 HydrophobicContact CG-CG 3.72Å; P120-E123 WeakPolarHBondContact CG-OE1 3.33Å; P120-E123 WeakPolarHBondContact O-CB 3.36Å; P120-E123 PolarHBondContact O-N 2.71Å
121F69.8Low67.2Low2 Ų253.1 Ų53.11%0.00928%0.276CS..Hα-helixtrans-59.8-31.7179.4174.8-111.3000112.9F25 C90 H91 E123 L124 I125 M182F25-F121 AromaticContact CD2-CD2 3.8Å; F25-F121 HydrophobicContact CD2-CD2 3.8Å; F25-F121 HydrophobicContact CD2-CE2 4.28Å; F25-F121 HydrophobicContact CE2-CB 4.16Å; F25-F121 AromaticContact CE2-CD2 3.3Å; F25-F121 HydrophobicContact CE2-CD2 3.3Å; F25-F121 AromaticContact CE2-CE2 3.82Å; F25-F121 HydrophobicContact CE2-CE2 3.82Å; F25-F121 AromaticContact CE2-CG 3.8Å; F25-F121 HydrophobicContact CE2-CG 3.8Å; F25-F121 HydrophobicContact CZ-CD2 4.29Å; C90-F121 WeakPolarHBondContact O-CB 3.07Å; C90-F121 PolarHBondContact O-N 3.45Å; H91-F121 HydrophobicContact CB-CB 3.81Å; H91-F121 HydrophobicContact CB-CD1 4.38Å; H91-F121 HydrophobicContact CB-CG 4.14Å; H91-F121 AromaticContact CD2-CD1 3.66Å; F121-E123 PolarHBondContact O-N 3.29Å; F121-L124 HydrophobicContact CD2-CB 4.38Å; F121-L124 HydrophobicContact CD2-CD2 4.19Å; F121-L124 HydrophobicContact CE2-CD2 3.88Å; F121-L124 WeakPolarHBondContact O-CB 3.38Å; F121-L124 PolarHBondContact O-N 2.73Å; F121-I125 HydrophobicContact CD1-CD1 3.91Å; F121-I125 HydrophobicContact CD1-CG1 4.49Å; F121-I125 HydrophobicContact CE1-CD1 3.39Å; F121-I125 HydrophobicContact CE1-CG1 3.92Å; F121-I125 HydrophobicContact CZ-CD1 3.95Å; F121-I125 HydrophobicContact CZ-CG1 3.98Å; F121-I125 PolarHBondContact O-N 2.83Å; F121-M182 HydrophobicContact CD2-CE 4.41Å; F121-M182 HydrophobicContact CE1-CE 4.18Å; F121-M182 HydrophobicContact CE1-CG 4.05Å; F121-M182 HydrophobicContact CE2-CE 3.5Å; F121-M182 VanDerWaalsContact CE2-CE 3.5Å; F121-M182 HydrophobicContact CE2-CG 4.37Å; F121-M182 HydrophobicContact CZ-CE 3.4Å; F121-M182 VanDerWaalsContact CZ-CE 3.4Å; F121-M182 HydrophobicContact CZ-CG 3.44Å; F121-M182 VanDerWaalsContact CZ-CG 3.44Å; F121-M182 HydrophobicContact CZ-SD 4.27Å
122E71.1Confident67.6Low77 Ų7750.2 Ų50.236%0.3625%0.247SC..Hα-helixtrans-58-29173.2-70.574-167.400112.5P120 I125 N126 K181P120-E122 PolarHBondContact O-N 3.34Å; E122-I125 PolarHBondContact O-N 2.79Å; E122-N126 PolarHBondContact O-N 3.23Å; E122-N126 PolarHBondContact O-ND2 3.33Å; E122-K181 IonicContact OE1-NZ 2.73Å; E122-K181 PolarHBondContact OE1-NZ 2.95Å
123E72Confident67.7Low75 Ų7551.9 Ų51.935%0.3526%0.26SS..Hα-helixtrans-68-36.9172-82.3175.8-136.600112.2Y89 K119 P120 F121 I125 N126 E127Y89-E123 HydrophobicContact CE1-CB 4.21Å; K119-E123 HydrophobicContact CB-CB 4.5Å; K119-E123 HydrophobicContact CD-CB 4.44Å; K119-E123 WeakPolarHBondContact CD-OE2 3.3Å; K119-E123 WeakPolarHBondContact CE-OE2 3.17Å; K119-E123 WeakPolarHBondContact CG-OE2 3.04Å; P120-E123 WeakPolarHBondContact CD-OE1 3.11Å; P120-E123 HydrophobicContact CG-CB 4.16Å; P120-E123 HydrophobicContact CG-CG 3.72Å; P120-E123 WeakPolarHBondContact CG-OE1 3.33Å; P120-E123 WeakPolarHBondContact O-CB 3.36Å; P120-E123 PolarHBondContact O-N 2.71Å; F121-E123 PolarHBondContact O-N 3.29Å; E123-I125 VanDerWaalsContact C-N 3.33Å; E123-I125 PolarHBondContact O-N 3.02Å; E123-N126 PolarHBondContact O-N 3.27Å; E123-E127 WeakPolarHBondContact O-CB 3.48Å; E123-E127 VanDerWaalsContact O-CG 3.26Å; E123-E127 WeakPolarHBondContact O-CG 3.31Å; E123-E127 PolarHBondContact O-N 3.11Å
124L72.2Confident67.9Low4 Ų455.5 Ų55.52%0.02128%0.275CS..Hα-helixtrans-62.1-44173.9176.959.9000110.9F40 Y89 F121 N126 E127 M128 F166F40-L124 HydrophobicContact CZ-CD2 3.87Å; Y89-L124 HydrophobicContact CD1-CB 3.67Å; Y89-L124 HydrophobicContact CD2-CB 3.79Å; Y89-L124 HydrophobicContact CD2-CD1 4.09Å; Y89-L124 HydrophobicContact CD2-CD2 3.79Å; Y89-L124 HydrophobicContact CD2-CG 4.1Å; Y89-L124 HydrophobicContact CE1-CB 3.66Å; Y89-L124 HydrophobicContact CE2-CB 3.75Å; Y89-L124 HydrophobicContact CE2-CD1 3.58Å; Y89-L124 HydrophobicContact CE2-CD2 4.17Å; Y89-L124 HydrophobicContact CE2-CG 4.02Å; Y89-L124 HydrophobicContact CG-CB 3.75Å; Y89-L124 HydrophobicContact CG-CD2 4.22Å; Y89-L124 HydrophobicContact CG-CG 4.49Å; F121-L124 HydrophobicContact CD2-CB 4.38Å; F121-L124 HydrophobicContact CD2-CD2 4.19Å; F121-L124 HydrophobicContact CE2-CD2 3.88Å; F121-L124 WeakPolarHBondContact O-CB 3.38Å; F121-L124 PolarHBondContact O-N 2.73Å; L124-N126 VanDerWaalsContact C-N 3.34Å; L124-N126 PolarHBondContact O-N 3.11Å; L124-E127 PolarHBondContact O-N 3Å; L124-M128 HydrophobicContact CD1-CG 3.97Å; L124-M128 HydrophobicContact CD1-SD 3.98Å; L124-M128 HydrophobicContact CG-CG 4.43Å; L124-M128 HydrophobicContact CG-SD 4.03Å; L124-M128 VanDerWaalsContact O-CB 3.32Å; L124-M128 WeakPolarHBondContact O-CB 3.28Å; L124-M128 VanDerWaalsContact O-CG 3.27Å; L124-M128 WeakPolarHBondContact O-CG 2.89Å; L124-M128 PolarHBondContact O-N 2.6Å; L124-F166 HydrophobicContact CD2-CE2 4.33Å
125I70Confident68Low28 Ų2847.5 Ų47.514%0.14424%0.242CC..Hα-helixtrans-59-48.5176.3-69.1168.8000109.9F121 E122 E123 E127 M128 G129 A185 F189F121-I125 HydrophobicContact CD1-CD1 3.91Å; F121-I125 HydrophobicContact CD1-CG1 4.49Å; F121-I125 HydrophobicContact CE1-CD1 3.39Å; F121-I125 HydrophobicContact CE1-CG1 3.92Å; F121-I125 HydrophobicContact CZ-CD1 3.95Å; F121-I125 HydrophobicContact CZ-CG1 3.98Å; F121-I125 PolarHBondContact O-N 2.83Å; E122-I125 PolarHBondContact O-N 2.79Å; E123-I125 VanDerWaalsContact C-N 3.33Å; E123-I125 PolarHBondContact O-N 3.02Å; I125-E127 PolarHBondContact O-N 2.83Å; I125-M128 PolarHBondContact O-N 3.39Å; I125-G129 PolarHBondContact O-N 3.29Å; I125-A185 HydrophobicContact CB-CB 4.5Å; I125-A185 HydrophobicContact CD1-CB 4.34Å; I125-A185 HydrophobicContact CG1-CB 4.04Å; I125-A185 HydrophobicContact CG2-CB 3.77Å; I125-F189 HydrophobicContact CG2-CE1 4.48Å; I125-F189 HydrophobicContact CG2-CZ 4.09Å; I125-F189 VanDerWaalsContact O-CZ 3.28Å; I125-F189 WeakPolarHBondContact O-CZ 2.93Å
126N69.6Low67.7Low110 Ų11044.1 Ų44.159%0.58823%0.227SC*.Hα-helixtrans-63.4-42.7-179.7-69.7-24.5000112.4E122 E123 L124 G129 F130E122-N126 PolarHBondContact O-N 3.23Å; E122-N126 PolarHBondContact O-ND2 3.33Å; E123-N126 PolarHBondContact O-N 3.27Å; L124-N126 VanDerWaalsContact C-N 3.34Å; L124-N126 PolarHBondContact O-N 3.11Å; N126-G129 PolarHBondContact O-N 3.21Å; N126-F130 VanDerWaalsContact O-CB 3.31Å; N126-F130 WeakPolarHBondContact O-CB 3.48Å; N126-F130 PolarHBondContact O-N 3.4Å
127E68.6Low67.2Low47 Ų4745 Ų4522%0.2225%0.248CC..Hα-helixtrans-65.9-40178.7-74.4178.7-172.100111.6H20 Y89 K119 E123 L124 I125 F131H20-E127 IonicContact CE1-OE2 3.2Å; H20-E127 IonicContact NE2-OE2 2.64Å; H20-E127 PolarHBondContact NE2-OE2 2.82Å; H20-E127 VanDerWaalsContact NE2-OE2 3.1Å; Y89-E127 PolarHBondContact OH-OE2 3.09Å; K119-E127 IonicContact NZ-OE1 3.86Å; K119-E127 PolarHBondContact NZ-OE1 2.98Å; K119-E127 IonicContact NZ-OE2 3.65Å; E123-E127 WeakPolarHBondContact O-CB 3.48Å; E123-E127 VanDerWaalsContact O-CG 3.26Å; E123-E127 WeakPolarHBondContact O-CG 3.31Å; E123-E127 PolarHBondContact O-N 3.11Å; L124-E127 PolarHBondContact O-N 3Å; I125-E127 PolarHBondContact O-N 2.83Å; E127-F131 WeakPolarHBondContact O-CB 3.3Å; E127-F131 PolarHBondContact O-N 2.84Å
128M70.6Confident66.4Low3 Ų344 Ų442%0.01524%0.242CC..Hα-helixtrans-66.3-42.8173.3-76.2-177.469.400112.4L124 I125 F130 F131 C132 F162 F166 F189L124-M128 HydrophobicContact CD1-CG 3.97Å; L124-M128 HydrophobicContact CD1-SD 3.98Å; L124-M128 HydrophobicContact CG-CG 4.43Å; L124-M128 HydrophobicContact CG-SD 4.03Å; L124-M128 VanDerWaalsContact O-CB 3.32Å; L124-M128 WeakPolarHBondContact O-CB 3.28Å; L124-M128 VanDerWaalsContact O-CG 3.27Å; L124-M128 WeakPolarHBondContact O-CG 2.89Å; L124-M128 PolarHBondContact O-N 2.6Å; I125-M128 PolarHBondContact O-N 3.39Å; M128-F130 VanDerWaalsContact C-N 3.35Å; M128-F131 WeakPolarHBondContact O-CB 3.42Å; M128-F131 PolarHBondContact O-N 3.18Å; M128-C132 PolarHBondContact O-N 2.83Å; M128-C132 PolarHBondContact O-SG 3.4Å; M128-C132 VanDerWaalsContact O-SG 3.37Å; M128-F162 HydrophobicContact CE-CD1 4.41Å; M128-F162 HydrophobicContact CE-CE1 3.51Å; M128-F162 HydrophobicContact CE-CZ 4.16Å; M128-F162 HydrophobicContact CG-CE1 4.24Å; M128-F162 HydrophobicContact CG-CZ 4.42Å; M128-F166 HydrophobicContact CE-CB 3.61Å; M128-F166 HydrophobicContact CE-CD1 3.47Å; M128-F166 VanDerWaalsContact CE-CD1 3.47Å; M128-F166 HydrophobicContact CE-CD2 3.34Å; M128-F166 HydrophobicContact CE-CE1 3.86Å; M128-F166 HydrophobicContact CE-CE2 3.76Å; M128-F166 HydrophobicContact CE-CG 3.17Å; M128-F166 HydrophobicContact CE-CZ 4Å; M128-F166 HydrophobicContact SD-CD1 4.27Å; M128-F166 HydrophobicContact SD-CD2 3.58Å; M128-F166 VanDerWaalsContact SD-CD2 3.58Å; M128-F166 HydrophobicContact SD-CE1 4.1Å; M128-F166 HydrophobicContact SD-CE2 3.39Å; M128-F166 WeakPolarHBondContact SD-CE2 3.13Å; M128-F166 HydrophobicContact SD-CG 4.02Å; M128-F166 HydrophobicContact SD-CZ 3.66Å; M128-F189 HydrophobicContact CB-CD2 4.41Å; M128-F189 HydrophobicContact CB-CE1 4.36Å; M128-F189 HydrophobicContact CB-CE2 3.58Å; M128-F189 HydrophobicContact CB-CZ 3.54Å; M128-F189 HydrophobicContact CE-CD2 4.12Å; M128-F189 HydrophobicContact CE-CE2 3.7Å; M128-F189 HydrophobicContact SD-CE2 4.2Å
129G66.7Low65.7Low11 Ų1147.7 Ų47.711%0.11327%0.268CS..Hα-helixtrans-64.7-40.8176.500000112.1I125 N126 F131 C132 S133 F189I125-G129 PolarHBondContact O-N 3.29Å; N126-G129 PolarHBondContact O-N 3.21Å; G129-F131 VanDerWaalsContact C-N 3.34Å; G129-C132 PolarHBondContact O-N 3.3Å; G129-S133 WeakPolarHBondContact O-CB 3.28Å; G129-S133 PolarHBondContact O-N 3.25Å; G129-S133 PolarHBondContact O-OG 2.94Å; G129-F189 VanDerWaalsContact N-CE1 3.26Å
130F65.3Low64.8Low138 Ų13849.3 Ų49.361%0.60528%0.283SS*.Hα-helixtrans-60-46171.4-176-95000110.8N126 M128 S133 H134N126-F130 VanDerWaalsContact O-CB 3.31Å; N126-F130 WeakPolarHBondContact O-CB 3.48Å; N126-F130 PolarHBondContact O-N 3.4Å; M128-F130 VanDerWaalsContact C-N 3.35Å; F130-S133 WeakPolarHBondContact CA-OG 3.22Å; F130-S133 PolarHBondContact O-OG 2.82Å; F130-H134 AromaticContact CZ-ND1 3.99Å; F130-H134 WeakPolarHBondContact O-CB 3.29Å; F130-H134 PolarHBondContact O-N 2.92Å
131F66.2Low63.4Low13 Ų1347.9 Ų47.96%0.05727%0.272CS..Hα-helixtrans-59.8-50.8176.2172.5-95.6000112.3F13 F16 E127 M128 G129 S133 H134 V135 F162F13-F131 AromaticContact CD2-CE2 3.57Å; F13-F131 HydrophobicContact CD2-CE2 3.57Å; F13-F131 AromaticContact CD2-CZ 3.43Å; F13-F131 HydrophobicContact CD2-CZ 3.43Å; F13-F131 VanDerWaalsContact CD2-CZ 3.43Å; F13-F131 HydrophobicContact CE2-CE2 4.19Å; F13-F131 AromaticContact CE2-CZ 3.61Å; F13-F131 HydrophobicContact CE2-CZ 3.61Å; F13-F131 HydrophobicContact CG-CE2 4.44Å; F16-F131 HydrophobicContact CB-CD2 4.14Å; F16-F131 HydrophobicContact CB-CE2 4.31Å; F16-F131 HydrophobicContact CD1-CB 4.47Å; F16-F131 HydrophobicContact CD1-CD1 4.46Å; F16-F131 AromaticContact CD1-CD2 3.45Å; F16-F131 HydrophobicContact CD1-CD2 3.45Å; F16-F131 VanDerWaalsContact CD1-CD2 3.45Å; F16-F131 AromaticContact CD1-CE2 3.66Å; F16-F131 HydrophobicContact CD1-CE2 3.66Å; F16-F131 AromaticContact CD1-CG 3.88Å; F16-F131 HydrophobicContact CD1-CG 3.88Å; F16-F131 HydrophobicContact CD1-CZ 4.25Å; F16-F131 HydrophobicContact CD2-CB 4.4Å; F16-F131 HydrophobicContact CD2-CD2 4.22Å; F16-F131 HydrophobicContact CE1-CB 4.13Å; F16-F131 HydrophobicContact CE1-CD1 4.12Å; F16-F131 AromaticContact CE1-CD2 3.85Å; F16-F131 HydrophobicContact CE1-CD2 3.85Å; F16-F131 HydrophobicContact CE1-CE2 4.26Å; F16-F131 AromaticContact CE1-CG 3.76Å; F16-F131 HydrophobicContact CE1-CG 3.76Å; F16-F131 HydrophobicContact CE2-CB 4.05Å; F16-F131 HydrophobicContact CE2-CG 4.46Å; F16-F131 AromaticContact CG-CD2 3.66Å; F16-F131 HydrophobicContact CG-CD2 3.66Å; F16-F131 HydrophobicContact CG-CE2 4.11Å; F16-F131 HydrophobicContact CG-CG 4.29Å; F16-F131 HydrophobicContact CZ-CB 3.91Å; F16-F131 HydrophobicContact CZ-CD2 4.39Å; F16-F131 HydrophobicContact CZ-CG 4.07Å; E127-F131 WeakPolarHBondContact O-CB 3.3Å; E127-F131 PolarHBondContact O-N 2.84Å; M128-F131 WeakPolarHBondContact O-CB 3.42Å; M128-F131 PolarHBondContact O-N 3.18Å; G129-F131 VanDerWaalsContact C-N 3.34Å; F131-S133 PolarHBondContact O-N 3.35Å; F131-H134 PolarHBondContact O-N 2.89Å; F131-V135 HydrophobicContact CD1-CG2 4.39Å; F131-V135 HydrophobicContact CD2-CG2 4.05Å; F131-V135 HydrophobicContact CE1-CG2 4.03Å; F131-V135 HydrophobicContact CE2-CG2 3.68Å; F131-V135 HydrophobicContact CG-CG2 4.4Å; F131-V135 HydrophobicContact CZ-CG2 3.67Å; F131-V135 WeakPolarHBondContact O-CB 3.36Å; F131-V135 VanDerWaalsContact O-CG2 3.29Å; F131-V135 WeakPolarHBondContact O-CG2 3.28Å; F131-V135 PolarHBondContact O-N 3.41Å; F131-F162 AromaticContact CD1-CD1 3.96Å; F131-F162 HydrophobicContact CD1-CD1 3.96Å; F131-F162 AromaticContact CD1-CE1 3.95Å; F131-F162 HydrophobicContact CD1-CE1 3.95Å; F131-F162 HydrophobicContact CD1-CE2 4.49Å; F131-F162 HydrophobicContact CD1-CG 4.28Å; F131-F162 HydrophobicContact CD1-CZ 4.26Å; F131-F162 HydrophobicContact CE1-CB 4.12Å; F131-F162 AromaticContact CE1-CD1 3.78Å; F131-F162 HydrophobicContact CE1-CD1 3.78Å; F131-F162 AromaticContact CE1-CD2 3.82Å; F131-F162 HydrophobicContact CE1-CD2 3.82Å; F131-F162 HydrophobicContact CE1-CE1 4.13Å; F131-F162 HydrophobicContact CE1-CE2 4.12Å; F131-F162 AromaticContact CE1-CG 3.63Å; F131-F162 HydrophobicContact CE1-CG 3.63Å; F131-F162 HydrophobicContact CE1-CZ 4.32Å; F131-F162 HydrophobicContact CZ-CD2 4.31Å; F131-F162 HydrophobicContact CZ-CG 4.49Å
132C64.2Low62Low0 Ų050.9 Ų50.90%029%0.293CS..Hα-helixtrans-63.6-43.2-179-68.70000112.2M128 G129 H134 V135 A136 V163 F189M128-C132 PolarHBondContact O-N 2.83Å; M128-C132 PolarHBondContact O-SG 3.4Å; M128-C132 VanDerWaalsContact O-SG 3.37Å; G129-C132 PolarHBondContact O-N 3.3Å; C132-H134 VanDerWaalsContact C-N 3.35Å; C132-H134 PolarHBondContact O-N 3.42Å; C132-V135 PolarHBondContact O-N 3.48Å; C132-A136 WeakPolarHBondContact O-CB 3.43Å; C132-A136 PolarHBondContact O-N 3.27Å; C132-V163 VanDerWaalsContact SG-CG2 3.56Å; C132-F189 HydrophobicContact CB-CB 4.13Å; C132-F189 HydrophobicContact CB-CG 4.47Å
133S63.3Low60.2Low44 Ų4449.4 Ų49.431%0.30829%0.29SS..Hα-helixtrans-63.3-40.3174.854.90000112.2G129 F130 F131 A137G129-S133 WeakPolarHBondContact O-CB 3.28Å; G129-S133 PolarHBondContact O-N 3.25Å; G129-S133 PolarHBondContact O-OG 2.94Å; F130-S133 WeakPolarHBondContact CA-OG 3.22Å; F130-S133 PolarHBondContact O-OG 2.82Å; F131-S133 PolarHBondContact O-N 3.35Å; S133-A137 VanDerWaalsContact O-CB 3.24Å; S133-A137 WeakPolarHBondContact O-CB 3.39Å; S133-A137 PolarHBondContact O-N 2.86Å
134H63Low58.7Low92 Ų9250.9 Ų50.943%0.42631%0.314SS..Hα-helixtrans-67.6-44.9178.9-149.882.6000111.5F130 F131 C132 A137 C138F130-H134 AromaticContact CZ-ND1 3.99Å; F130-H134 WeakPolarHBondContact O-CB 3.29Å; F130-H134 PolarHBondContact O-N 2.92Å; F131-H134 PolarHBondContact O-N 2.89Å; C132-H134 VanDerWaalsContact C-N 3.35Å; C132-H134 PolarHBondContact O-N 3.42Å; H134-A137 PolarHBondContact O-N 2.84Å; H134-C138 PolarHBondContact O-N 3.2Å; H134-C138 PolarHBondContact O-SG 3.08Å
135V61Low57Low17 Ų1758.1 Ų58.110%0.10335%0.353CS..Hα-helixtrans-65.5-44.5177.7173.30000110.9F131 C132 A137 C138 N155 L158 A159F131-V135 HydrophobicContact CD1-CG2 4.39Å; F131-V135 HydrophobicContact CD2-CG2 4.05Å; F131-V135 HydrophobicContact CE1-CG2 4.03Å; F131-V135 HydrophobicContact CE2-CG2 3.68Å; F131-V135 HydrophobicContact CG-CG2 4.4Å; F131-V135 HydrophobicContact CZ-CG2 3.67Å; F131-V135 WeakPolarHBondContact O-CB 3.36Å; F131-V135 VanDerWaalsContact O-CG2 3.29Å; F131-V135 WeakPolarHBondContact O-CG2 3.28Å; F131-V135 PolarHBondContact O-N 3.41Å; C132-V135 PolarHBondContact O-N 3.48Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.49Å; V135-C138 WeakPolarHBondContact O-CB 3.22Å; V135-C138 PolarHBondContact O-N 3.25Å; V135-N155 HydrophobicContact CG1-CB 4Å; V135-N155 VanDerWaalsContact CG1-O 3.22Å; V135-N155 WeakPolarHBondContact CG1-O 3.1Å; V135-N155 VanDerWaalsContact O-CB 3.25Å; V135-N155 WeakPolarHBondContact O-CB 3.44Å; V135-L158 HydrophobicContact CG1-CB 4.36Å; V135-A159 HydrophobicContact CB-CB 4.32Å; V135-A159 HydrophobicContact CG1-CB 3.93Å
136A60.8Low55.3Low24 Ų2463.9 Ų63.920%0.19838%0.379CS..Hα-helixtrans-66-33.917900000113.1C132 C138 L192 T193C132-A136 WeakPolarHBondContact O-CB 3.43Å; C132-A136 PolarHBondContact O-N 3.27Å; A136-C138 VanDerWaalsContact C-N 3.26Å; A136-C138 PolarHBondContact O-N 3.14Å; A136-L192 WeakPolarHBondContact CB-O 3.5Å; A136-T193 HydrophobicContact CB-CG2 4.49Å
137A60Low53.8Low83 Ų8362.6 Ų62.669%0.68637%0.374SS*.Hα-helixtrans-76.7-11.9176.400000113.4S133 H134 V135S133-A137 VanDerWaalsContact O-CB 3.24Å; S133-A137 WeakPolarHBondContact O-CB 3.39Å; S133-A137 PolarHBondContact O-N 2.86Å; H134-A137 PolarHBondContact O-N 2.84Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.49Å
138C52.1Low52.7Low26 Ų2670.2 Ų70.218%0.17641%0.41CS..SBendtrans-72.7129.8-179.4-79.50000110.8H134 V135 A136 N155H134-C138 PolarHBondContact O-N 3.2Å; H134-C138 PolarHBondContact O-SG 3.08Å; V135-C138 WeakPolarHBondContact O-CB 3.22Å; V135-C138 PolarHBondContact O-N 3.25Å; A136-C138 VanDerWaalsContact C-N 3.26Å; A136-C138 PolarHBondContact O-N 3.14Å; C138-N155 VanDerWaalsContact CB-ND2 3.32Å; C138-N155 WeakPolarHBondContact CB-ND2 3.34Å; C138-N155 PolarHBondContact O-ND2 2.91Å
139P53.2Low51.4Low103 Ų10377 Ų7767%0.66945%0.447SS*.PPolyproline II helixtrans-58148.9169.123.2-29.7000110.2I141 N155P139-I141 PolarHBondContact O-N 3.5Å; P139-I141 VanDerWaalsContact O-N 3.12Å; P139-N155 PolarHBondContact O-ND2 3.48Å
140P50.3Low50Low83 Ų8379 Ų7954%0.53947%0.467SS..PPolyproline II helixtrans-51.6121.9-178.2-2128.2000110.4W152P140-W152 HydrophobicContact CB-CE3 4.39Å
141I41.9Very low48.7Very low26 Ų2675.5 Ų75.513%0.13346%0.46CS..BIsolated β-bridgetrans-85.6119.6-179.7-57174.9000107.1P139 T143P139-I141 PolarHBondContact O-N 3.5Å; P139-I141 VanDerWaalsContact O-N 3.12Å; I141-T143 VanDerWaalsContact C-N 3.26Å; I141-T143 HydrophobicContact CG2-CG2 3.84Å; I141-T143 PolarHBondContact O-N 3.49Å
142S39.4Very low47.7Very low64 Ų6483.1 Ų83.145%0.44849%0.488SS..  trans-72.187.6161.8177.20000107.4A144 W152S142-A144 PolarHBondContact O-N 2.83Å; S142-W152 VanDerWaalsContact CB-CZ3 3.48Å
143T35Very low47Very low47 Ų4786 Ų8629%0.28850%0.503SS..  trans-73.6109.2170.344.30000108.6I141 L145 I153I141-T143 VanDerWaalsContact C-N 3.26Å; I141-T143 HydrophobicContact CG2-CG2 3.84Å; I141-T143 PolarHBondContact O-N 3.49Å; T143-L145 PolarHBondContact O-N 3.2Å; T143-I153 HydrophobicContact CG2-CD1 4.02Å; T143-I153 WeakPolarHBondContact OG1-CD1 3.46Å
144A39.9Very low46.7Very low105 Ų10587.6 Ų87.687%0.86851%0.508SS*.THydrogen-bonded Turntrans-61.2-6.2172.400000114.1S142S142-A144 PolarHBondContact O-N 2.83Å
145L36.5Very low46.4Very low157 Ų15783.7 Ų83.782%0.82249%0.49SS*.THydrogen-bonded Turntrans-82.2-13.7-175.7-81.2163.8000114.4T143T143-L145 PolarHBondContact O-N 3.2Å
146H34.5Very low46.3Very low149 Ų14983.4 Ų83.469%0.6949%0.489SS*.SBendtrans-140.7129.6173.7-81.1-77.2000111.3
147V37.7Very low46.3Very low82 Ų8285.3 Ų85.350%0.49750%0.5SS..  trans89.2108.4161.9-147.50000115.8D149 G150 S151V147-D149 HydrophobicContact CG1-CB 3.81Å; V147-D149 PolarHBondContact O-N 3.37Å; V147-G150 PolarHBondContact O-N 3.47Å; V147-S151 WeakPolarHBondContact CB-OG 3.49Å; V147-S151 VanDerWaalsContact CG2-OG 3.31Å; V147-S151 WeakPolarHBondContact CG2-OG 3.45Å
148E45.7Very low46.3Very low208 Ų20884 Ų8497%0.97248%0.481SS*.THydrogen-bonded Turntrans-54.3-7.4166-65.4-179.7140.800113.5
149D42.5Very low46.7Very low146 Ų14682.8 Ų82.878%0.78147%0.473SS*.THydrogen-bonded Turntrans-105.99.4-176.4-61.7-31.3000114.7V147 S151V147-D149 HydrophobicContact CG1-CB 3.81Å; V147-D149 PolarHBondContact O-N 3.37Å; D149-S151 VanDerWaalsContact C-N 3.31Å; D149-S151 PolarHBondContact O-N 3.07Å
150G37Very low47.2Very low52 Ų5278 Ų7854%0.53644%0.442SS..  trans66.428.6171.300000114.8V147 W152V147-G150 PolarHBondContact O-N 3.47Å; G150-W152 VanDerWaalsContact O-CD1 3.23Å; G150-W152 PolarHBondContact O-N 2.8Å; G150-W152 PolarHBondContact O-NE1 3.26Å
151S39.2Very low47.8Very low65 Ų6577.7 Ų77.746%0.45544%0.436SS..  trans-71.1128.117253.40000110.5V147 D149V147-S151 WeakPolarHBondContact CB-OG 3.49Å; V147-S151 VanDerWaalsContact CG2-OG 3.31Å; V147-S151 WeakPolarHBondContact CG2-OG 3.45Å; D149-S151 VanDerWaalsContact C-N 3.31Å; D149-S151 PolarHBondContact O-N 3.07Å
152W44.3Very low48.8Very low172 Ų17276.9 Ų76.965%0.65243%0.431SS*.  trans-86.7139.1179-5676.6000108.7P140 S142 G150 D154P140-W152 HydrophobicContact CB-CE3 4.39Å; S142-W152 VanDerWaalsContact CB-CZ3 3.48Å; G150-W152 VanDerWaalsContact O-CD1 3.23Å; G150-W152 PolarHBondContact O-N 2.8Å; G150-W152 PolarHBondContact O-NE1 3.26Å; W152-D154 PolarHBondContact O-N 2.9Å
153I48.9Very low50Low62 Ų6273.8 Ų73.832%0.31841%0.41SS..BIsolated β-bridgetrans-77.2112.5168.3-60.8-178000107.1T143 N155 L158T143-I153 HydrophobicContact CG2-CD1 4.02Å; T143-I153 WeakPolarHBondContact OG1-CD1 3.46Å; I153-N155 PolarHBondContact O-N 3.43Å; I153-L158 HydrophobicContact CG2-CD1 3.45Å; I153-L158 VanDerWaalsContact CG2-CD1 3.45Å; I153-L158 HydrophobicContact CG2-CD2 4.18Å; I153-L158 HydrophobicContact CG2-CG 3.6Å
154D57.2Low51.5Low76 Ų7672.7 Ų72.741%0.40640%0.401SS..  trans-70.3106.8167.4-173.3-12.4000108.4W152 S156 C157 L158W152-D154 PolarHBondContact O-N 2.9Å; D154-S156 PolarHBondContact O-N 2.97Å; D154-S156 VanDerWaalsContact OD1-CB 3.26Å; D154-S156 WeakPolarHBondContact OD1-CB 3.42Å; D154-S156 PolarHBondContact OD1-N 3.47Å; D154-C157 HydrophobicContact CB-CB 4.14Å; D154-C157 WeakPolarHBondContact O-CB 3.33Å; D154-C157 PolarHBondContact O-N 2.96Å; D154-L158 PolarHBondContact O-N 3.23Å
155N57.1Low52.5Low10 Ų1072.6 Ų72.65%0.05338%0.381CS..Hα-helixtrans-62-29.5-179.1-64.6-37.5000111.7V135 C138 P139 I153 C157 L158 A159V135-N155 HydrophobicContact CG1-CB 4Å; V135-N155 VanDerWaalsContact CG1-O 3.22Å; V135-N155 WeakPolarHBondContact CG1-O 3.1Å; V135-N155 VanDerWaalsContact O-CB 3.25Å; V135-N155 WeakPolarHBondContact O-CB 3.44Å; C138-N155 VanDerWaalsContact CB-ND2 3.32Å; C138-N155 WeakPolarHBondContact CB-ND2 3.34Å; C138-N155 PolarHBondContact O-ND2 2.91Å; P139-N155 PolarHBondContact O-ND2 3.48Å; I153-N155 PolarHBondContact O-N 3.43Å; N155-C157 VanDerWaalsContact C-N 3.29Å; N155-C157 PolarHBondContact O-N 2.87Å; N155-L158 WeakPolarHBondContact O-CB 2.97Å; N155-L158 PolarHBondContact O-N 2.78Å; N155-A159 PolarHBondContact O-N 3.25Å
156S59.5Low53.8Low12 Ų1265.6 Ų65.68%0.08434%0.344CS..Hα-helixtrans-62-40.3174.6-640000111.1D154 A159 V160 H195D154-S156 PolarHBondContact O-N 2.97Å; D154-S156 VanDerWaalsContact OD1-CB 3.26Å; D154-S156 WeakPolarHBondContact OD1-CB 3.42Å; D154-S156 PolarHBondContact OD1-N 3.47Å; S156-A159 PolarHBondContact O-N 3.44Å; S156-V160 WeakPolarHBondContact O-CG2 3.05Å; S156-V160 PolarHBondContact O-N 2.73Å; S156-H195 VanDerWaalsContact CB-CD2 3.41Å; S156-H195 WeakPolarHBondContact CB-CD2 3.5Å; S156-H195 PolarHBondContact OG-CD2 3.47Å; S156-H195 VanDerWaalsContact OG-CD2 3.29Å; S156-H195 PolarHBondContact OG-NE2 3.07Å
157C60.4Low55.3Low63 Ų6358.5 Ų58.543%0.42631%0.311SS..Hα-helixtrans-64-40.7173.9-67.40000111.8D154 N155 A159 V160 D161D154-C157 HydrophobicContact CB-CB 4.14Å; D154-C157 WeakPolarHBondContact O-CB 3.33Å; D154-C157 PolarHBondContact O-N 2.96Å; N155-C157 VanDerWaalsContact C-N 3.29Å; N155-C157 PolarHBondContact O-N 2.87Å; C157-A159 PolarHBondContact O-N 2.84Å; C157-V160 PolarHBondContact O-N 3.47Å; C157-D161 WeakPolarHBondContact O-CB 3.33Å; C157-D161 PolarHBondContact O-N 3.35Å
158L60.4Low56.2Low57 Ų5756.6 Ų56.630%0.29830%0.3SS..Hα-helixtrans-61.3-42.9174.9-73.5-177.8000112.7V135 I153 D154 N155 V160 D161 F162V135-L158 HydrophobicContact CG1-CB 4.36Å; I153-L158 HydrophobicContact CG2-CD1 3.45Å; I153-L158 VanDerWaalsContact CG2-CD1 3.45Å; I153-L158 HydrophobicContact CG2-CD2 4.18Å; I153-L158 HydrophobicContact CG2-CG 3.6Å; D154-L158 PolarHBondContact O-N 3.23Å; N155-L158 WeakPolarHBondContact O-CB 2.97Å; N155-L158 PolarHBondContact O-N 2.78Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-D161 PolarHBondContact O-N 2.86Å; L158-F162 WeakPolarHBondContact O-CB 3.32Å; L158-F162 PolarHBondContact O-N 3.48Å
159A61Low56.7Low0 Ų052 Ų520%027%0.274CS..Hα-helixtrans-62.3-41.7176.800000110.8V135 N155 S156 C157 F162 V163 T193V135-A159 HydrophobicContact CB-CB 4.32Å; V135-A159 HydrophobicContact CG1-CB 3.93Å; N155-A159 PolarHBondContact O-N 3.25Å; S156-A159 PolarHBondContact O-N 3.44Å; C157-A159 PolarHBondContact O-N 2.84Å; A159-F162 WeakPolarHBondContact O-CB 3.49Å; A159-F162 PolarHBondContact O-N 3.49Å; A159-V163 VanDerWaalsContact O-CG2 3.23Å; A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.17Å; A159-T193 HydrophobicContact CB-CG2 3.73Å
160V62.6Low57.3Low2 Ų245.6 Ų45.61%0.01224%0.239CC..Hα-helixtrans-67.1-47.9177.5177.30000110.9S156 C157 L158 F162 V163 Q164 T193 V197S156-V160 WeakPolarHBondContact O-CG2 3.05Å; S156-V160 PolarHBondContact O-N 2.73Å; C157-V160 PolarHBondContact O-N 3.47Å; L158-V160 VanDerWaalsContact C-N 3.31Å; V160-F162 PolarHBondContact O-N 3.41Å; V160-V163 CarbonylContact O-C 3.19Å; V160-V163 PolarHBondContact O-N 2.99Å; V160-Q164 HydrophobicContact CG1-CG 4.16Å; V160-Q164 WeakPolarHBondContact O-CB 3.49Å; V160-Q164 WeakPolarHBondContact O-CG 3.42Å; V160-Q164 PolarHBondContact O-N 3.2Å; V160-T193 HydrophobicContact CG2-CG2 3.99Å; V160-V197 HydrophobicContact CB-CB 4.38Å; V160-V197 HydrophobicContact CB-CG1 3.81Å; V160-V197 HydrophobicContact CG1-CB 3.83Å; V160-V197 HydrophobicContact CG1-CG1 3.2Å; V160-V197 HydrophobicContact CG2-CB 3.75Å; V160-V197 HydrophobicContact CG2-CG1 3.62Å; V160-V197 HydrophobicContact CG2-CG2 3.53Å
161D62.9Low58.4Low77 Ų7743.1 Ų43.141%0.41221%0.214SC..Hα-helixtrans-55.8-39.7177.7-81.4-3000111.2C157 L158 K165C157-D161 WeakPolarHBondContact O-CB 3.33Å; C157-D161 PolarHBondContact O-N 3.35Å; L158-D161 PolarHBondContact O-N 2.86Å; D161-K165 WeakPolarHBondContact O-CB 3.2Å; D161-K165 VanDerWaalsContact O-CG 3.28Å; D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 3.13Å
162F62.5Low59.4Low8 Ų840.5 Ų40.54%0.03519%0.194CC..Hα-helixtrans-63.5-48.7174.3177.2-90.4000111.8F16 M17 I42 M128 F131 L158 A159 V160 Q164 K165 F166F16-F162 HydrophobicContact CD1-CE2 4.44Å; F16-F162 HydrophobicContact CE1-CE1 4.5Å; F16-F162 AromaticContact CE1-CE2 3.74Å; F16-F162 HydrophobicContact CE1-CE2 3.74Å; F16-F162 AromaticContact CE1-CZ 3.56Å; F16-F162 HydrophobicContact CE1-CZ 3.56Å; F16-F162 HydrophobicContact CZ-CZ 4.19Å; M17-F162 HydrophobicContact SD-CD2 4.09Å; M17-F162 HydrophobicContact SD-CE2 3.98Å; I42-F162 HydrophobicContact CB-CE2 4.48Å; I42-F162 HydrophobicContact CD1-CE2 3.78Å; I42-F162 HydrophobicContact CD1-CZ 3.96Å; I42-F162 HydrophobicContact CG1-CE2 4.4Å; I42-F162 HydrophobicContact CG2-CD2 3.8Å; I42-F162 HydrophobicContact CG2-CE2 3.39Å; I42-F162 HydrophobicContact CG2-CZ 4.25Å; M128-F162 HydrophobicContact CE-CD1 4.41Å; M128-F162 HydrophobicContact CE-CE1 3.51Å; M128-F162 HydrophobicContact CE-CZ 4.16Å; M128-F162 HydrophobicContact CG-CE1 4.24Å; M128-F162 HydrophobicContact CG-CZ 4.42Å; F131-F162 AromaticContact CD1-CD1 3.96Å; F131-F162 HydrophobicContact CD1-CD1 3.96Å; F131-F162 AromaticContact CD1-CE1 3.95Å; F131-F162 HydrophobicContact CD1-CE1 3.95Å; F131-F162 HydrophobicContact CD1-CE2 4.49Å; F131-F162 HydrophobicContact CD1-CG 4.28Å; F131-F162 HydrophobicContact CD1-CZ 4.26Å; F131-F162 HydrophobicContact CE1-CB 4.12Å; F131-F162 AromaticContact CE1-CD1 3.78Å; F131-F162 HydrophobicContact CE1-CD1 3.78Å; F131-F162 AromaticContact CE1-CD2 3.82Å; F131-F162 HydrophobicContact CE1-CD2 3.82Å; F131-F162 HydrophobicContact CE1-CE1 4.13Å; F131-F162 HydrophobicContact CE1-CE2 4.12Å; F131-F162 AromaticContact CE1-CG 3.63Å; F131-F162 HydrophobicContact CE1-CG 3.63Å; F131-F162 HydrophobicContact CE1-CZ 4.32Å; F131-F162 HydrophobicContact CZ-CD2 4.31Å; F131-F162 HydrophobicContact CZ-CG 4.49Å; L158-F162 WeakPolarHBondContact O-CB 3.32Å; L158-F162 PolarHBondContact O-N 3.48Å; A159-F162 WeakPolarHBondContact O-CB 3.49Å; A159-F162 PolarHBondContact O-N 3.49Å; V160-F162 PolarHBondContact O-N 3.41Å; F162-Q164 VanDerWaalsContact C-N 3.33Å; F162-Q164 PolarHBondContact O-N 3.4Å; F162-K165 WeakPolarHBondContact O-CB 3.21Å; F162-K165 PolarHBondContact O-N 2.92Å; F162-F166 PolarHBondContact O-N 3.44Å
163V66Low59.7Low0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-64.4-38.2179176.20000111.5C132 A159 V160 F166 L167 V186 F189 I190C132-V163 VanDerWaalsContact SG-CG2 3.56Å; A159-V163 VanDerWaalsContact O-CG2 3.23Å; A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.17Å; V160-V163 CarbonylContact O-C 3.19Å; V160-V163 PolarHBondContact O-N 2.99Å; V163-F166 WeakPolarHBondContact O-CB 3.42Å; V163-F166 PolarHBondContact O-N 3.23Å; V163-L167 WeakPolarHBondContact O-CB 2.97Å; V163-L167 PolarHBondContact O-N 2.96Å; V163-V186 HydrophobicContact CG1-CB 4.15Å; V163-V186 HydrophobicContact CG1-CG1 3.65Å; V163-V186 HydrophobicContact CG1-CG2 4.09Å; V163-F189 HydrophobicContact CG1-CB 4.29Å; V163-F189 HydrophobicContact CG2-CB 3.48Å; V163-F189 VanDerWaalsContact CG2-CB 3.48Å; V163-F189 HydrophobicContact CG2-CD2 4.16Å; V163-F189 HydrophobicContact CG2-CG 4.28Å; V163-I190 HydrophobicContact CB-CG1 4.3Å; V163-I190 HydrophobicContact CG1-CD1 3.91Å; V163-I190 HydrophobicContact CG1-CG1 3.72Å
164Q65.5Low60Low24 Ų2431.4 Ų31.411%0.11216%0.163CC..Hα-helixtrans-63.6-44.1173.6-76.8-178-200111.5V160 F162 F166 L167 V168 P198V160-Q164 HydrophobicContact CG1-CG 4.16Å; V160-Q164 WeakPolarHBondContact O-CB 3.49Å; V160-Q164 WeakPolarHBondContact O-CG 3.42Å; V160-Q164 PolarHBondContact O-N 3.2Å; F162-Q164 VanDerWaalsContact C-N 3.33Å; F162-Q164 PolarHBondContact O-N 3.4Å; Q164-F166 VanDerWaalsContact C-N 3.3Å; Q164-F166 PolarHBondContact O-N 3.46Å; Q164-L167 PolarHBondContact O-N 2.83Å; Q164-V168 WeakPolarHBondContact O-CB 3.39Å; Q164-V168 WeakPolarHBondContact O-CG2 3.21Å; Q164-V168 PolarHBondContact O-N 2.9Å; Q164-P198 PolarHBondContact NE2-O 2.9Å
165K60.8Low59.7Low103 Ų10331.4 Ų31.445%0.44816%0.16SC..Hα-helixtrans-59.1-44.4173.5-76.9171-175169.60110.7D161 F162 R169D161-K165 WeakPolarHBondContact O-CB 3.2Å; D161-K165 VanDerWaalsContact O-CG 3.28Å; D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 3.13Å; F162-K165 WeakPolarHBondContact O-CB 3.21Å; F162-K165 PolarHBondContact O-N 2.92Å; K165-R169 WeakPolarHBondContact O-CA 3.18Å; K165-R169 WeakPolarHBondContact O-CB 3.32Å; K165-R169 WeakPolarHBondContact O-CG 3.24Å; K165-R169 PolarHBondContact O-N 3.01Å
166F65Low59.1Low9 Ų936.9 Ų36.94%0.03918%0.184CC..Hα-helixtrans-61.8-46.9175.6-178.8-103000112.4L124 M128 F162 V163 Q164 R169 V170 V171 V186L124-F166 HydrophobicContact CD2-CE2 4.33Å; M128-F166 HydrophobicContact CE-CB 3.61Å; M128-F166 HydrophobicContact CE-CD1 3.47Å; M128-F166 VanDerWaalsContact CE-CD1 3.47Å; M128-F166 HydrophobicContact CE-CD2 3.34Å; M128-F166 HydrophobicContact CE-CE1 3.86Å; M128-F166 HydrophobicContact CE-CE2 3.76Å; M128-F166 HydrophobicContact CE-CG 3.17Å; M128-F166 HydrophobicContact CE-CZ 4Å; M128-F166 HydrophobicContact SD-CD1 4.27Å; M128-F166 HydrophobicContact SD-CD2 3.58Å; M128-F166 VanDerWaalsContact SD-CD2 3.58Å; M128-F166 HydrophobicContact SD-CE1 4.1Å; M128-F166 HydrophobicContact SD-CE2 3.39Å; M128-F166 WeakPolarHBondContact SD-CE2 3.13Å; M128-F166 HydrophobicContact SD-CG 4.02Å; M128-F166 HydrophobicContact SD-CZ 3.66Å; F162-F166 PolarHBondContact O-N 3.44Å; V163-F166 WeakPolarHBondContact O-CB 3.42Å; V163-F166 PolarHBondContact O-N 3.23Å; Q164-F166 VanDerWaalsContact C-N 3.3Å; Q164-F166 PolarHBondContact O-N 3.46Å; F166-R169 PolarHBondContact O-N 2.88Å; F166-V170 HydrophobicContact CD2-CB 3.74Å; F166-V170 HydrophobicContact CD2-CG1 4.17Å; F166-V170 HydrophobicContact CD2-CG2 3.65Å; F166-V170 HydrophobicContact CE2-CB 3.74Å; F166-V170 HydrophobicContact CE2-CG1 3.64Å; F166-V170 HydrophobicContact CE2-CG2 3.98Å; F166-V170 HydrophobicContact CG-CB 4.34Å; F166-V170 HydrophobicContact CG-CG2 4.45Å; F166-V170 HydrophobicContact CZ-CB 4.35Å; F166-V170 HydrophobicContact CZ-CG1 4.12Å; F166-V170 WeakPolarHBondContact O-CA 3.32Å; F166-V170 VanDerWaalsContact O-CB 3.22Å; F166-V170 WeakPolarHBondContact O-CB 3.2Å; F166-V170 PolarHBondContact O-N 3.27Å; F166-V171 HydrophobicContact CD1-CG2 3.54Å; F166-V171 HydrophobicContact CE1-CG2 3.34Å; F166-V171 HydrophobicContact CG-CG2 4.45Å; F166-V171 HydrophobicContact CZ-CG2 4.12Å; F166-V171 PolarHBondContact O-N 2.8Å; F166-V171 VanDerWaalsContact O-N 3.07Å; F166-V186 HydrophobicContact CD1-CG2 3.8Å; F166-V186 HydrophobicContact CE1-CG2 4.18Å
167L64.1Low58.7Low1 Ų139.5 Ų39.51%0.00521%0.213CC..Iπ-helixtrans-57.8-56.7177.7178.466.5000111.3V163 Q164 R169 V171 Y172 L183 V186 I199 F221V163-L167 WeakPolarHBondContact O-CB 2.97Å; V163-L167 PolarHBondContact O-N 2.96Å; Q164-L167 PolarHBondContact O-N 2.83Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.27Å; L167-V171 HydrophobicContact CD1-CB 4Å; L167-V171 HydrophobicContact CD1-CG1 4.07Å; L167-V171 HydrophobicContact CD1-CG2 4.44Å; L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 PolarHBondContact O-N 3.46Å; L167-Y172 HydrophobicContact CD1-CD1 4.33Å; L167-Y172 HydrophobicContact CD1-CE1 3.75Å; L167-Y172 HydrophobicContact CD2-CE2 4.47Å; L167-Y172 WeakPolarHBondContact CD2-OH 3.41Å; L167-Y172 HydrophobicContact CG-CE1 3.98Å; L167-Y172 HydrophobicContact CG-CE2 4.05Å; L167-Y172 PolarHBondContact O-N 2.84Å; L167-L183 HydrophobicContact CD1-CD2 3.47Å; L167-L183 VanDerWaalsContact CD1-CD2 3.47Å; L167-V186 HydrophobicContact CB-CG1 4.47Å; L167-V186 HydrophobicContact CB-CG2 4.29Å; L167-V186 HydrophobicContact CD1-CG1 4.26Å; L167-V186 HydrophobicContact CD1-CG2 4.29Å; L167-V186 HydrophobicContact CD2-CG1 4.4Å; L167-I199 HydrophobicContact CD2-CG2 3.27Å; L167-F221 HydrophobicContact CD1-CZ 4.33Å; L167-F221 HydrophobicContact CD2-CE2 4.2Å; L167-F221 HydrophobicContact CD2-CZ 4.09Å
168V58.2Low58.4Low41 Ų4137 Ų3725%0.24820%0.195CC..Iπ-helixtrans-62.7-41.2-177171.60000111.3Q164 Y172 P173 P202Q164-V168 WeakPolarHBondContact O-CB 3.39Å; Q164-V168 WeakPolarHBondContact O-CG2 3.21Å; Q164-V168 PolarHBondContact O-N 2.9Å; V168-Y172 HydrophobicContact CB-CD2 4.45Å; V168-Y172 HydrophobicContact CG2-CD2 4.41Å; V168-Y172 HydrophobicContact CG2-CE2 4.12Å; V168-P173 WeakPolarHBondContact O-CD 3.35Å; V168-P202 HydrophobicContact CB-CG 4.33Å; V168-P202 HydrophobicContact CG1-CG 3.65Å; V168-P202 HydrophobicContact CG2-CG 3.74Å
169R55Low58.2Low113 Ų11334.9 Ų34.943%0.42619%0.186SC..Iπ-helixtrans-104.1-14.3-163.4-53.2-114.6179.3-178.1-2.1115A44 G45 V46 K165 F166 L167A44-R169 PolarHBondContact O-NH1 3.38Å; G45-R169 VanDerWaalsContact CA-CD 3.43Å; V46-R169 WeakPolarHBondContact CG2-O 3.3Å; V46-R169 PolarHBondContact N-O 2.95Å; K165-R169 WeakPolarHBondContact O-CA 3.18Å; K165-R169 WeakPolarHBondContact O-CB 3.32Å; K165-R169 WeakPolarHBondContact O-CG 3.24Å; K165-R169 PolarHBondContact O-N 3.01Å; F166-R169 PolarHBondContact O-N 2.88Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.27Å
170V56.3Low58.1Low10 Ų1037.6 Ų37.66%0.06121%0.205CC..Iπ-helixtrans-123.3-49.4179.7-173.70000110.7F40 F166 A174F40-V170 HydrophobicContact CB-CG2 4.2Å; F40-V170 HydrophobicContact CD2-CG1 4.35Å; F40-V170 HydrophobicContact CD2-CG2 3.41Å; F40-V170 VanDerWaalsContact CD2-CG2 3.41Å; F40-V170 HydrophobicContact CE2-CG1 4.45Å; F40-V170 HydrophobicContact CE2-CG2 3.94Å; F40-V170 HydrophobicContact CG-CG1 4.36Å; F40-V170 HydrophobicContact CG-CG2 3.89Å; F166-V170 HydrophobicContact CD2-CB 3.74Å; F166-V170 HydrophobicContact CD2-CG1 4.17Å; F166-V170 HydrophobicContact CD2-CG2 3.65Å; F166-V170 HydrophobicContact CE2-CB 3.74Å; F166-V170 HydrophobicContact CE2-CG1 3.64Å; F166-V170 HydrophobicContact CE2-CG2 3.98Å; F166-V170 HydrophobicContact CG-CB 4.34Å; F166-V170 HydrophobicContact CG-CG2 4.45Å; F166-V170 HydrophobicContact CZ-CB 4.35Å; F166-V170 HydrophobicContact CZ-CG1 4.12Å; F166-V170 WeakPolarHBondContact O-CA 3.32Å; F166-V170 VanDerWaalsContact O-CB 3.22Å; F166-V170 WeakPolarHBondContact O-CB 3.2Å; F166-V170 PolarHBondContact O-N 3.27Å; V170-A174 PolarHBondContact O-N 2.7Å
171V60.4Low58.1Low1 Ų141.9 Ų41.91%0.00622%0.224CC..Iπ-helixtrans-74.2-48.7-174.2-175.80000112.1F166 L167 A174 A179 M182 L183 V186F166-V171 HydrophobicContact CD1-CG2 3.54Å; F166-V171 HydrophobicContact CE1-CG2 3.34Å; F166-V171 HydrophobicContact CG-CG2 4.45Å; F166-V171 HydrophobicContact CZ-CG2 4.12Å; F166-V171 PolarHBondContact O-N 2.8Å; F166-V171 VanDerWaalsContact O-N 3.07Å; L167-V171 HydrophobicContact CD1-CB 4Å; L167-V171 HydrophobicContact CD1-CG1 4.07Å; L167-V171 HydrophobicContact CD1-CG2 4.44Å; L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 PolarHBondContact O-N 3.46Å; V171-A174 VanDerWaalsContact O-CB 3.28Å; V171-A174 WeakPolarHBondContact O-CB 3.06Å; V171-A174 PolarHBondContact O-N 2.98Å; V171-A174 VanDerWaalsContact O-N 3.08Å; V171-A179 HydrophobicContact CG1-CB 4.49Å; V171-M182 HydrophobicContact CB-CB 4.19Å; V171-M182 HydrophobicContact CG1-CB 3.62Å; V171-M182 HydrophobicContact CG2-CB 3.71Å; V171-M182 HydrophobicContact CG2-CG 4.31Å; V171-M182 HydrophobicContact CG2-SD 4.35Å; V171-L183 HydrophobicContact CG1-CD2 3.92Å; V171-L183 HydrophobicContact CG1-CG 3.84Å; V171-V186 HydrophobicContact CG2-CG2 4.13Å
172Y58.5Low58.1Low10 Ų1038.3 Ų38.34%0.03920%0.204CC..THydrogen-bonded Turntrans-61.9-41.9178.2-65.4-30000113.5L167 V168 A174 I201 L205 V209 V217L167-Y172 HydrophobicContact CD1-CD1 4.33Å; L167-Y172 HydrophobicContact CD1-CE1 3.75Å; L167-Y172 HydrophobicContact CD2-CE2 4.47Å; L167-Y172 WeakPolarHBondContact CD2-OH 3.41Å; L167-Y172 HydrophobicContact CG-CE1 3.98Å; L167-Y172 HydrophobicContact CG-CE2 4.05Å; L167-Y172 PolarHBondContact O-N 2.84Å; V168-Y172 HydrophobicContact CB-CD2 4.45Å; V168-Y172 HydrophobicContact CG2-CD2 4.41Å; V168-Y172 HydrophobicContact CG2-CE2 4.12Å; Y172-A174 PolarHBondContact O-N 3.17Å; Y172-I201 HydrophobicContact CE2-CG2 4.17Å; Y172-I201 WeakPolarHBondContact OH-CG1 3.23Å; Y172-L205 HydrophobicContact CD2-CD2 3.4Å; Y172-L205 HydrophobicContact CE2-CD2 4.2Å; Y172-L205 HydrophobicContact CG-CD2 3.76Å; Y172-V209 WeakPolarHBondContact O-CG1 3.12Å; Y172-V217 HydrophobicContact CD1-CG2 4.1Å; Y172-V217 HydrophobicContact CE1-CB 4.19Å; Y172-V217 HydrophobicContact CE1-CG1 3.67Å; Y172-V217 HydrophobicContact CE1-CG2 3.59Å
173P52.1Low58.1Low27 Ų2738.3 Ų38.318%0.17521%0.205CC..THydrogen-bonded Turntrans-66.9-13.2174.7-24.737.4000115V46 V168V46-P173 HydrophobicContact CB-CB 4.42Å; V46-P173 HydrophobicContact CG2-CB 3.81Å; V46-P173 HydrophobicContact CG2-CG 4.11Å; V168-P173 WeakPolarHBondContact O-CD 3.35Å
174A53.6Low58.1Low16 Ų1641.8 Ų41.813%0.13222%0.223CC..SBendtrans-78.7142179.200000111V170 V171 Y172 M178 M182V170-A174 PolarHBondContact O-N 2.7Å; V171-A174 VanDerWaalsContact O-CB 3.28Å; V171-A174 WeakPolarHBondContact O-CB 3.06Å; V171-A174 PolarHBondContact O-N 2.98Å; V171-A174 VanDerWaalsContact O-N 3.08Å; Y172-A174 PolarHBondContact O-N 3.17Å; A174-M178 HydrophobicContact CB-CB 4.37Å; A174-M178 HydrophobicContact CB-CE 3.76Å; A174-M182 HydrophobicContact CB-CE 4.4Å; A174-M182 HydrophobicContact CB-SD 3.79Å
175E51Low58.1Low75 Ų7540.8 Ų40.835%0.3522%0.219SC..  trans-61.5147.2175.7-66.8-179.7177.900112.3F27 R49 G177 M178 A179F27-E175 HydrophobicContact CZ-CG 4.45Å; R49-E175 IonicContact CZ-OE1 2.84Å; R49-E175 IonicContact NH2-OE1 3.98Å; R49-E175 PolarHBondContact NH2-OE1 3.29Å; E175-G177 PolarHBondContact O-N 3.44Å; E175-M178 HydrophobicContact CB-CE 3.88Å; E175-M178 WeakPolarHBondContact O-CB 3.25Å; E175-M178 PolarHBondContact O-N 3.18Å; E175-A179 PolarHBondContact O-N 2.83Å
176F46.4Very low58.3Low125 Ų12535.9 Ų35.955%0.54820%0.198SC..Hα-helixtrans-52.5-25.9-168.7-151.6-91000115.4M178 D213F176-M178 VanDerWaalsContact C-N 3.34Å; F176-D213 WeakPolarHBondContact CD2-OD1 3.37Å; F176-D213 WeakPolarHBondContact CE2-OD1 3.32Å
177G51.1Low58.3Low68 Ų6836.2 Ų36.270%0.70120%0.2SC*.Hα-helixtrans-72.4-23.617500000114.5E175E175-G177 PolarHBondContact O-N 3.44Å
178M53.9Low58.4Low9 Ų941.6 Ų41.64%0.04423%0.225CC..Hα-helixtrans-94.2-32.3176-56.6-178.9-74.100111.9F25 F27 A174 E175 F176 S180 K181 M182F25-M178 HydrophobicContact CE1-CE 4.38Å; F25-M178 HydrophobicContact CE1-SD 3.52Å; F25-M178 VanDerWaalsContact CE1-SD 3.52Å; F25-M178 HydrophobicContact CZ-SD 3.77Å; F27-M178 HydrophobicContact CB-SD 3.63Å; F27-M178 HydrophobicContact CD1-CE 3.8Å; F27-M178 HydrophobicContact CD1-SD 3.53Å; F27-M178 VanDerWaalsContact CD1-SD 3.53Å; F27-M178 HydrophobicContact CD2-CE 3.66Å; F27-M178 HydrophobicContact CD2-CG 4.5Å; F27-M178 HydrophobicContact CD2-SD 3.35Å; F27-M178 WeakPolarHBondContact CD2-SD 3.46Å; F27-M178 HydrophobicContact CE1-CE 3.42Å; F27-M178 VanDerWaalsContact CE1-CE 3.42Å; F27-M178 HydrophobicContact CE1-SD 3.84Å; F27-M178 HydrophobicContact CE2-CE 3.31Å; F27-M178 HydrophobicContact CE2-SD 3.73Å; F27-M178 HydrophobicContact CG-CE 3.87Å; F27-M178 HydrophobicContact CG-SD 3.22Å; F27-M178 WeakPolarHBondContact CG-SD 3.22Å; F27-M178 HydrophobicContact CZ-CE 3.14Å; F27-M178 HydrophobicContact CZ-SD 3.93Å; A174-M178 HydrophobicContact CB-CB 4.37Å; A174-M178 HydrophobicContact CB-CE 3.76Å; E175-M178 HydrophobicContact CB-CE 3.88Å; E175-M178 WeakPolarHBondContact O-CB 3.25Å; E175-M178 PolarHBondContact O-N 3.18Å; F176-M178 VanDerWaalsContact C-N 3.34Å; M178-S180 PolarHBondContact O-N 2.97Å; M178-K181 PolarHBondContact O-N 3.48Å; M178-M182 HydrophobicContact CB-CE 4.45Å; M178-M182 HydrophobicContact CB-SD 4.46Å; M178-M182 PolarHBondContact O-N 3.43Å
179A56.4Low58.9Low13 Ų1339.7 Ų39.711%0.10721%0.213CC..Hα-helixtrans-54.7-37.9-175.800000111.7V171 E175 K181 M182 L183V171-A179 HydrophobicContact CG1-CB 4.49Å; E175-A179 PolarHBondContact O-N 2.83Å; A179-K181 PolarHBondContact O-N 2.97Å; A179-M182 CarbonylContact O-C 3.58Å; A179-M182 PolarHBondContact O-N 3.46Å; A179-L183 HydrophobicContact CB-CD1 4.25Å; A179-L183 WeakPolarHBondContact O-CB 3.5Å; A179-L183 WeakPolarHBondContact O-CD1 3.45Å; A179-L183 WeakPolarHBondContact O-CG 3.28Å; A179-L183 PolarHBondContact O-N 3.24Å
180S58.9Low59.3Low57 Ų5734.6 Ų34.640%0.39919%0.194SC..Hα-helixtrans-57.8-54.1-178.9-168.90000113.3M178 M182 L183 D184M178-S180 PolarHBondContact O-N 2.97Å; S180-M182 VanDerWaalsContact C-N 3.31Å; S180-M182 PolarHBondContact O-N 3.35Å; S180-L183 WeakPolarHBondContact O-CB 3.46Å; S180-L183 PolarHBondContact O-N 3.03Å; S180-L183 VanDerWaalsContact O-N 3.17Å; S180-D184 VanDerWaalsContact O-CG 3.31Å; S180-D184 PolarHBondContact O-N 3.46Å
181K61.1Low59.7Low93 Ų9336.2 Ų36.240%0.40421%0.206SC..Hα-helixtrans-63.7-38.1179.2-80.1-171.9174.7-175.50112.2E122 M178 A179 L183 D184 A185E122-K181 IonicContact OE1-NZ 2.73Å; E122-K181 PolarHBondContact OE1-NZ 2.95Å; M178-K181 PolarHBondContact O-N 3.48Å; A179-K181 PolarHBondContact O-N 2.97Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-D184 PolarHBondContact O-N 2.75Å; K181-A185 PolarHBondContact O-N 2.94Å; K181-A185 VanDerWaalsContact O-N 3.07Å
182M62.6Low59.8Low1 Ų139.6 Ų39.61%0.00522%0.224CC..Hα-helixtrans-65-38.6175.7-80.4173.3-176.500111.8F25 F121 V171 A174 M178 A179 S180 A185 V186F25-M182 HydrophobicContact CE1-CE 3.99Å; F25-M182 HydrophobicContact CE2-CE 4.07Å; F25-M182 HydrophobicContact CZ-CE 3.66Å; F121-M182 HydrophobicContact CD2-CE 4.41Å; F121-M182 HydrophobicContact CE1-CE 4.18Å; F121-M182 HydrophobicContact CE1-CG 4.05Å; F121-M182 HydrophobicContact CE2-CE 3.5Å; F121-M182 VanDerWaalsContact CE2-CE 3.5Å; F121-M182 HydrophobicContact CE2-CG 4.37Å; F121-M182 HydrophobicContact CZ-CE 3.4Å; F121-M182 VanDerWaalsContact CZ-CE 3.4Å; F121-M182 HydrophobicContact CZ-CG 3.44Å; F121-M182 VanDerWaalsContact CZ-CG 3.44Å; F121-M182 HydrophobicContact CZ-SD 4.27Å; V171-M182 HydrophobicContact CB-CB 4.19Å; V171-M182 HydrophobicContact CG1-CB 3.62Å; V171-M182 HydrophobicContact CG2-CB 3.71Å; V171-M182 HydrophobicContact CG2-CG 4.31Å; V171-M182 HydrophobicContact CG2-SD 4.35Å; A174-M182 HydrophobicContact CB-CE 4.4Å; A174-M182 HydrophobicContact CB-SD 3.79Å; M178-M182 HydrophobicContact CB-CE 4.45Å; M178-M182 HydrophobicContact CB-SD 4.46Å; M178-M182 PolarHBondContact O-N 3.43Å; A179-M182 CarbonylContact O-C 3.58Å; A179-M182 PolarHBondContact O-N 3.46Å; S180-M182 VanDerWaalsContact C-N 3.31Å; S180-M182 PolarHBondContact O-N 3.35Å; M182-A185 PolarHBondContact O-N 3.18Å; M182-V186 WeakPolarHBondContact O-CG2 3.16Å; M182-V186 PolarHBondContact O-N 3.22Å
183L63.7Low60Low9 Ų939.4 Ų39.45%0.04722%0.224CC..Hα-helixtrans-70-39176-71.9166.1000111L167 V171 A179 S180 K181 A185 V186 I187 V217 F220 F221L167-L183 HydrophobicContact CD1-CD2 3.47Å; L167-L183 VanDerWaalsContact CD1-CD2 3.47Å; V171-L183 HydrophobicContact CG1-CD2 3.92Å; V171-L183 HydrophobicContact CG1-CG 3.84Å; A179-L183 HydrophobicContact CB-CD1 4.25Å; A179-L183 WeakPolarHBondContact O-CB 3.5Å; A179-L183 WeakPolarHBondContact O-CD1 3.45Å; A179-L183 WeakPolarHBondContact O-CG 3.28Å; A179-L183 PolarHBondContact O-N 3.24Å; S180-L183 WeakPolarHBondContact O-CB 3.46Å; S180-L183 PolarHBondContact O-N 3.03Å; S180-L183 VanDerWaalsContact O-N 3.17Å; K181-L183 VanDerWaalsContact C-N 3.32Å; L183-A185 VanDerWaalsContact C-N 3.32Å; L183-A185 PolarHBondContact O-N 2.9Å; L183-V186 PolarHBondContact O-N 3.18Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 2.99Å; L183-V217 HydrophobicContact CD1-CG2 4.46Å; L183-V217 HydrophobicContact CD2-CG1 4.44Å; L183-F220 HydrophobicContact CB-CD1 3.83Å; L183-F220 HydrophobicContact CB-CE1 3.36Å; L183-F220 HydrophobicContact CB-CZ 3.78Å; L183-F220 HydrophobicContact CD1-CD1 4.11Å; L183-F220 HydrophobicContact CD1-CE1 4.41Å; L183-F220 HydrophobicContact CD1-CG 4.24Å; L183-F220 HydrophobicContact CG-CD1 4.42Å; L183-F220 HydrophobicContact CG-CE1 4.4Å; L183-F221 HydrophobicContact CD2-CE2 4.06Å; L183-F221 HydrophobicContact CD2-CZ 4.03Å
184D65.1Low60.4Low72 Ų7241.3 Ų41.339%0.38525%0.248SC..Hα-helixtrans-56.1-48.6171.9-69.3-42.3000110.4S180 K181 V186 I187 E188 F220S180-D184 VanDerWaalsContact O-CG 3.31Å; S180-D184 PolarHBondContact O-N 3.46Å; K181-D184 PolarHBondContact O-N 2.75Å; D184-V186 PolarHBondContact O-N 3.01Å; D184-I187 PolarHBondContact O-N 3.23Å; D184-E188 PolarHBondContact O-N 3.23Å; D184-F220 WeakPolarHBondContact OD1-CZ 3.32Å
185A66.2Low60.5Low3 Ų345.6 Ų45.63%0.02527%0.265CS..Hα-helixtrans-61.5-43.4176.200000112.1I125 K181 M182 L183 I187 E188 F189I125-A185 HydrophobicContact CB-CB 4.5Å; I125-A185 HydrophobicContact CD1-CB 4.34Å; I125-A185 HydrophobicContact CG1-CB 4.04Å; I125-A185 HydrophobicContact CG2-CB 3.77Å; K181-A185 PolarHBondContact O-N 2.94Å; K181-A185 VanDerWaalsContact O-N 3.07Å; M182-A185 PolarHBondContact O-N 3.18Å; L183-A185 VanDerWaalsContact C-N 3.32Å; L183-A185 PolarHBondContact O-N 2.9Å; A185-I187 VanDerWaalsContact C-N 3.32Å; A185-I187 PolarHBondContact O-N 3.18Å; A185-E188 WeakPolarHBondContact O-CB 3.23Å; A185-E188 PolarHBondContact O-N 3.12Å; A185-F189 HydrophobicContact CB-CE1 4.34Å; A185-F189 HydrophobicContact CB-CE2 3.88Å; A185-F189 HydrophobicContact CB-CZ 3.72Å; A185-F189 WeakPolarHBondContact O-CB 3.46Å; A185-F189 WeakPolarHBondContact O-CD1 3.31Å; A185-F189 WeakPolarHBondContact O-CD2 3.27Å; A185-F189 WeakPolarHBondContact O-CG 3.4Å; A185-F189 PolarHBondContact O-N 3.4Å
186V65.6Low60.7Low0 Ų047.9 Ų47.90%028%0.28CS..Hα-helixtrans-58.3-43.1174.6163.10000111.8V163 F166 L167 V171 M182 L183 D184 F189 I190 F221V163-V186 HydrophobicContact CG1-CB 4.15Å; V163-V186 HydrophobicContact CG1-CG1 3.65Å; V163-V186 HydrophobicContact CG1-CG2 4.09Å; F166-V186 HydrophobicContact CD1-CG2 3.8Å; F166-V186 HydrophobicContact CE1-CG2 4.18Å; L167-V186 HydrophobicContact CB-CG1 4.47Å; L167-V186 HydrophobicContact CB-CG2 4.29Å; L167-V186 HydrophobicContact CD1-CG1 4.26Å; L167-V186 HydrophobicContact CD1-CG2 4.29Å; L167-V186 HydrophobicContact CD2-CG1 4.4Å; V171-V186 HydrophobicContact CG2-CG2 4.13Å; M182-V186 WeakPolarHBondContact O-CG2 3.16Å; M182-V186 PolarHBondContact O-N 3.22Å; L183-V186 PolarHBondContact O-N 3.18Å; D184-V186 PolarHBondContact O-N 3.01Å; V186-F189 PolarHBondContact O-N 3.21Å; V186-I190 HydrophobicContact CG1-CD1 3.84Å; V186-I190 VanDerWaalsContact O-CG1 3.32Å; V186-I190 WeakPolarHBondContact O-CG1 3.37Å; V186-I190 PolarHBondContact O-N 3Å; V186-F221 HydrophobicContact CG1-CE1 4.14Å; V186-F221 HydrophobicContact CG1-CZ 3.89Å
187I65Low61.1Low16 Ų1643.1 Ų43.18%0.08226%0.261CS..Hα-helixtrans-62.6-45.4176.2-72-179.2000110.8L183 D184 A185 F189 I190 S191 F220 F221 H224 K225L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 2.99Å; D184-I187 PolarHBondContact O-N 3.23Å; A185-I187 VanDerWaalsContact C-N 3.32Å; A185-I187 PolarHBondContact O-N 3.18Å; I187-F189 VanDerWaalsContact C-N 3.32Å; I187-F189 PolarHBondContact O-N 3.32Å; I187-I190 PolarHBondContact O-N 2.71Å; I187-S191 VanDerWaalsContact O-CB 3.31Å; I187-S191 WeakPolarHBondContact O-CB 3.15Å; I187-S191 PolarHBondContact O-N 3.11Å; I187-S191 PolarHBondContact O-OG 3.42Å; I187-F220 HydrophobicContact CD1-CD1 3.92Å; I187-F220 HydrophobicContact CD1-CE1 3.34Å; I187-F220 HydrophobicContact CD1-CZ 4.21Å; I187-F220 HydrophobicContact CG1-CE1 4.21Å; I187-F221 HydrophobicContact CD1-CD1 3.93Å; I187-F221 HydrophobicContact CD1-CE1 4.14Å; I187-F221 HydrophobicContact CG1-CD1 3.7Å; I187-F221 HydrophobicContact CG1-CE1 3.48Å; I187-F221 VanDerWaalsContact CG1-CE1 3.48Å; I187-H224 HydrophobicContact CD1-CB 3.6Å; I187-K225 HydrophobicContact CG2-CB 4.49Å; I187-K225 HydrophobicContact CG2-CD 4.13Å; I187-K225 HydrophobicContact CG2-CG 3.85Å
188E65.8Low61.3Low115 Ų11542.1 Ų42.154%0.53724%0.242SC..Hα-helixtrans-59-46.6177.3-171.2176.4-178.800110.3D184 A185 I190 S191 L192D184-E188 PolarHBondContact O-N 3.23Å; A185-E188 WeakPolarHBondContact O-CB 3.23Å; A185-E188 PolarHBondContact O-N 3.12Å; E188-I190 PolarHBondContact O-N 2.96Å; E188-S191 WeakPolarHBondContact O-CB 3.38Å; E188-S191 PolarHBondContact O-N 2.88Å; E188-S191 VanDerWaalsContact O-N 3.13Å; E188-L192 VanDerWaalsContact O-CG 3.32Å; E188-L192 WeakPolarHBondContact O-CG 3.37Å; E188-L192 PolarHBondContact O-N 3.36Å
189F67.6Low61.4Low1 Ų141.8 Ų41.80%0.00424%0.24CC..Hα-helixtrans-64.2-39-179-56-21.3000113.2I125 M128 G129 C132 V163 A185 V186 I187 S191 L192I125-F189 HydrophobicContact CG2-CE1 4.48Å; I125-F189 HydrophobicContact CG2-CZ 4.09Å; I125-F189 VanDerWaalsContact O-CZ 3.28Å; I125-F189 WeakPolarHBondContact O-CZ 2.93Å; M128-F189 HydrophobicContact CB-CD2 4.41Å; M128-F189 HydrophobicContact CB-CE1 4.36Å; M128-F189 HydrophobicContact CB-CE2 3.58Å; M128-F189 HydrophobicContact CB-CZ 3.54Å; M128-F189 HydrophobicContact CE-CD2 4.12Å; M128-F189 HydrophobicContact CE-CE2 3.7Å; M128-F189 HydrophobicContact SD-CE2 4.2Å; G129-F189 VanDerWaalsContact N-CE1 3.26Å; C132-F189 HydrophobicContact CB-CB 4.13Å; C132-F189 HydrophobicContact CB-CG 4.47Å; V163-F189 HydrophobicContact CG1-CB 4.29Å; V163-F189 HydrophobicContact CG2-CB 3.48Å; V163-F189 VanDerWaalsContact CG2-CB 3.48Å; V163-F189 HydrophobicContact CG2-CD2 4.16Å; V163-F189 HydrophobicContact CG2-CG 4.28Å; A185-F189 HydrophobicContact CB-CE1 4.34Å; A185-F189 HydrophobicContact CB-CE2 3.88Å; A185-F189 HydrophobicContact CB-CZ 3.72Å; A185-F189 WeakPolarHBondContact O-CB 3.46Å; A185-F189 WeakPolarHBondContact O-CD1 3.31Å; A185-F189 WeakPolarHBondContact O-CD2 3.27Å; A185-F189 WeakPolarHBondContact O-CG 3.4Å; A185-F189 PolarHBondContact O-N 3.4Å; V186-F189 PolarHBondContact O-N 3.21Å; I187-F189 VanDerWaalsContact C-N 3.32Å; I187-F189 PolarHBondContact O-N 3.32Å; F189-S191 VanDerWaalsContact C-N 3.35Å; F189-L192 HydrophobicContact CD1-CD1 4.46Å; F189-L192 WeakPolarHBondContact O-CB 3.42Å; F189-L192 PolarHBondContact O-N 3.3Å
190I64.3Low61.6Low6 Ų645.8 Ų45.83%0.03126%0.256CS..Hα-helixtrans-70.5-37175.2-67.8170.8000110.3V163 V186 I187 E188 L192 T193 I199V163-I190 HydrophobicContact CB-CG1 4.3Å; V163-I190 HydrophobicContact CG1-CD1 3.91Å; V163-I190 HydrophobicContact CG1-CG1 3.72Å; V186-I190 HydrophobicContact CG1-CD1 3.84Å; V186-I190 VanDerWaalsContact O-CG1 3.32Å; V186-I190 WeakPolarHBondContact O-CG1 3.37Å; V186-I190 PolarHBondContact O-N 3Å; I187-I190 PolarHBondContact O-N 2.71Å; E188-I190 PolarHBondContact O-N 2.96Å; I190-L192 PolarHBondContact O-N 3.12Å; I190-T193 PolarHBondContact O-N 2.99Å; I190-T193 VanDerWaalsContact O-N 3.13Å; I190-T193 PolarHBondContact O-OG1 3.11Å; I190-I199 HydrophobicContact CD1-CD1 3.08Å; I190-I199 HydrophobicContact CD1-CG1 3.51Å
191S65.5Low61.3Low43 Ų4344.2 Ų44.230%0.30124%0.242SC..Hα-helixtrans-63.9-33.5176-58.30000112.1I187 E188 F189 T193 G194 K225I187-S191 VanDerWaalsContact O-CB 3.31Å; I187-S191 WeakPolarHBondContact O-CB 3.15Å; I187-S191 PolarHBondContact O-N 3.11Å; I187-S191 PolarHBondContact O-OG 3.42Å; E188-S191 WeakPolarHBondContact O-CB 3.38Å; E188-S191 PolarHBondContact O-N 2.88Å; E188-S191 VanDerWaalsContact O-N 3.13Å; F189-S191 VanDerWaalsContact C-N 3.35Å; S191-T193 PolarHBondContact O-N 2.88Å; S191-G194 PolarHBondContact O-N 3.41Å; S191-K225 WeakPolarHBondContact OG-CD 3.32Å; S191-K225 WeakPolarHBondContact OG-CE 3.2Å; S191-K225 PolarHBondContact OG-NZ 2.85Å; S191-K225 VanDerWaalsContact OG-NZ 3.11Å
192L62.1Low60.8Low73 Ų7341.7 Ų41.738%0.38224%0.236SC..Hα-helixtrans-65.2-22.2176-71.2170.3000113.2A136 E188 F189 I190 G194A136-L192 WeakPolarHBondContact CB-O 3.5Å; E188-L192 VanDerWaalsContact O-CG 3.32Å; E188-L192 WeakPolarHBondContact O-CG 3.37Å; E188-L192 PolarHBondContact O-N 3.36Å; F189-L192 HydrophobicContact CD1-CD1 4.46Å; F189-L192 WeakPolarHBondContact O-CB 3.42Å; F189-L192 PolarHBondContact O-N 3.3Å; I190-L192 PolarHBondContact O-N 3.12Å; L192-G194 VanDerWaalsContact C-N 3.29Å
193T63Low60Low6 Ų646.4 Ų46.44%0.03727%0.269CS..THydrogen-bonded Turntrans-78.3-15.3177.373.90000112.7A136 A159 V160 I190 S191 H195A136-T193 HydrophobicContact CB-CG2 4.49Å; A159-T193 HydrophobicContact CB-CG2 3.73Å; V160-T193 HydrophobicContact CG2-CG2 3.99Å; I190-T193 PolarHBondContact O-N 2.99Å; I190-T193 VanDerWaalsContact O-N 3.13Å; I190-T193 PolarHBondContact O-OG1 3.11Å; S191-T193 PolarHBondContact O-N 2.88Å; T193-H195 PolarHBondContact O-CD2 2.87Å; T193-H195 PolarHBondContact O-N 3.13Å; T193-H195 VanDerWaalsContact O-N 3.12Å
194G58.9Low58.8Low67 Ų6754.2 Ų54.269%0.69131%0.305SS*.  trans69.63174.600000115.6S191 L192S191-G194 PolarHBondContact O-N 3.41Å; L192-G194 VanDerWaalsContact C-N 3.29Å
195H57.2Low57.8Low105 Ų10551.4 Ų51.449%0.48629%0.29SS..SBendtrans-112.3150-179.9-64-75.4000111.4S156 T193 V197S156-H195 VanDerWaalsContact CB-CD2 3.41Å; S156-H195 WeakPolarHBondContact CB-CD2 3.5Å; S156-H195 PolarHBondContact OG-CD2 3.47Å; S156-H195 VanDerWaalsContact OG-CD2 3.29Å; S156-H195 PolarHBondContact OG-NE2 3.07Å; T193-H195 PolarHBondContact O-CD2 2.87Å; T193-H195 PolarHBondContact O-N 3.13Å; T193-H195 VanDerWaalsContact O-N 3.12Å; H195-V197 HydrophobicContact CB-CG2 3.66Å; H195-V197 WeakPolarHBondContact O-CG2 3.26Å; H195-V197 PolarHBondContact O-N 3.06Å; H195-V197 VanDerWaalsContact O-N 3.11Å
196N55.4Low56.4Low124 Ų12455.2 Ų55.266%0.66331%0.314SS*.  trans-73.299.6166-75.8-14.5000107.9
197V54.1Low54.9Low24 Ų2464.4 Ų64.415%0.14536%0.357CS..  trans-112.6126.9-176.6-159.50000109.9V160 H195 I199V160-V197 HydrophobicContact CB-CB 4.38Å; V160-V197 HydrophobicContact CB-CG1 3.81Å; V160-V197 HydrophobicContact CG1-CB 3.83Å; V160-V197 HydrophobicContact CG1-CG1 3.2Å; V160-V197 HydrophobicContact CG2-CB 3.75Å; V160-V197 HydrophobicContact CG2-CG1 3.62Å; V160-V197 HydrophobicContact CG2-CG2 3.53Å; H195-V197 HydrophobicContact CB-CG2 3.66Å; H195-V197 WeakPolarHBondContact O-CG2 3.26Å; H195-V197 PolarHBondContact O-N 3.06Å; H195-V197 VanDerWaalsContact O-N 3.11Å; V197-I199 PolarHBondContact O-N 3.35Å
198P55.4Low53.4Low48 Ų4871.1 Ų71.131%0.31239%0.392SS..PPolyproline II helixtrans-60.2134.117624.6-33000109.1Q164 F200 T231Q164-P198 PolarHBondContact NE2-O 2.9Å; P198-F200 HydrophobicContact CB-CZ 4.48Å; P198-F200 HydrophobicContact CG-CZ 4.26Å; P198-T231 WeakPolarHBondContact CB-OG1 3.41Å
199I56.3Low52Low1 Ų166.5 Ų66.51%0.00537%0.372CS..PPolyproline II helixtrans-99.9119.1168.9-60.9178.4000107.6L167 I190 V197 I201 F221 I228L167-I199 HydrophobicContact CD2-CG2 3.27Å; I190-I199 HydrophobicContact CD1-CD1 3.08Å; I190-I199 HydrophobicContact CD1-CG1 3.51Å; V197-I199 PolarHBondContact O-N 3.35Å; I199-I201 PolarHBondContact O-N 3.29Å; I199-F221 HydrophobicContact CD1-CD1 3.96Å; I199-F221 HydrophobicContact CD1-CE1 3.48Å; I199-F221 VanDerWaalsContact CD1-CE1 3.48Å; I199-F221 HydrophobicContact CD1-CE2 4.26Å; I199-F221 HydrophobicContact CD1-CZ 3.66Å; I199-I228 HydrophobicContact CB-CG2 4.16Å; I199-I228 HydrophobicContact CD1-CD1 4.06Å; I199-I228 HydrophobicContact CD1-CG2 3.52Å; I199-I228 HydrophobicContact CG1-CG2 3.67Å
200F59.6Low50.4Low98 Ų9868.2 Ų68.243%0.4339%0.386SS..PPolyproline II helixtrans-78.3122.8175.4-58.9-71.7000110.7P198P198-F200 HydrophobicContact CB-CZ 4.48Å; P198-F200 HydrophobicContact CG-CZ 4.26Å
201I53.9Low49Very low23 Ų2379.5 Ų79.512%0.11843%0.428CS..  trans-102.5110.9169-49.5-170.3000107Y172 I199 S203 K214 V217 L230Y172-I201 HydrophobicContact CE2-CG2 4.17Å; Y172-I201 WeakPolarHBondContact OH-CG1 3.23Å; I199-I201 PolarHBondContact O-N 3.29Å; I201-S203 PolarHBondContact O-N 2.98Å; I201-K214 HydrophobicContact CG2-CG 4.19Å; I201-V217 HydrophobicContact CD1-CG1 3.82Å; I201-L230 HydrophobicContact CD1-CD1 4.43Å; I201-L230 HydrophobicContact CD1-CD2 3.68Å; I201-L230 HydrophobicContact CG1-CD2 4.07Å
202P49.1Very low47.7Very low40 Ų4086 Ų8626%0.2645%0.451SS..  trans-57.5131.8-179.2-17.927.2000110.5V168 Q204V168-P202 HydrophobicContact CB-CG 4.33Å; V168-P202 HydrophobicContact CG1-CG 3.65Å; V168-P202 HydrophobicContact CG2-CG 3.74Å; P202-Q204 PolarHBondContact O-N 3.27Å
203S45.6Very low47.1Very low101 Ų10184.3 Ų84.371%0.70644%0.442SS*.SBendtrans-64.4-30.9174.6580000111.9I201I201-S203 PolarHBondContact O-N 2.98Å
204Q39.1Very low46.3Very low172 Ų17288.1 Ų88.180%0.80446%0.458SS*.SBendtrans-109.484.7174.7-59.9-1681800109.7P202P202-Q204 PolarHBondContact O-N 3.27Å
205L44.2Very low46.2Very low14 Ų1492 Ų927%0.07346%0.459CS..  trans-64.1148.3160.6-68.7168.6000108.4Y172 Q207 V209 A210Y172-L205 HydrophobicContact CD2-CD2 3.4Å; Y172-L205 HydrophobicContact CE2-CD2 4.2Å; Y172-L205 HydrophobicContact CG-CD2 3.76Å; L205-Q207 PolarHBondContact O-N 2.72Å; L205-V209 HydrophobicContact CB-CB 4.19Å; L205-V209 HydrophobicContact CD1-CB 4.44Å; L205-V209 HydrophobicContact CD1-CG1 4.01Å; L205-A210 HydrophobicContact CB-CB 4.02Å
206P37.1Very low46Very low82 Ų8289 Ų8953%0.53245%0.449SS..  trans-47.6130.5169.7-22.731.5000108.4I208 V209P206-I208 PolarHBondContact O-N 3.4Å; P206-V209 PolarHBondContact O-N 3.28Å
207Q32.8Very low46Very low194 Ų19483.6 Ų83.691%0.90742%0.42SS*.THydrogen-bonded Turntrans-48.6-18.6-166.7-73.6-175.1-10.700115.5L205 V209L205-Q207 PolarHBondContact O-N 2.72Å; Q207-V209 VanDerWaalsContact C-N 3.3Å; Q207-V209 PolarHBondContact O-N 3.24Å
208I35Very low46.3Very low156 Ų15683.5 Ų83.580%0.842%0.422SS*.THydrogen-bonded Turntrans-70.6-20.9176.9-55.2173.4000112.8P206P206-I208 PolarHBondContact O-N 3.4Å
209V36.2Very low46.4Very low19 Ų1985.1 Ų85.112%0.11543%0.428CS..THydrogen-bonded Turntrans-110.7-13.8-175.9-170.20000112.3Y172 L205 P206 Q207 R211 D213Y172-V209 WeakPolarHBondContact O-CG1 3.12Å; L205-V209 HydrophobicContact CB-CB 4.19Å; L205-V209 HydrophobicContact CD1-CB 4.44Å; L205-V209 HydrophobicContact CD1-CG1 4.01Å; P206-V209 PolarHBondContact O-N 3.28Å; Q207-V209 VanDerWaalsContact C-N 3.3Å; Q207-V209 PolarHBondContact O-N 3.24Å; V209-R211 PolarHBondContact O-N 3.49Å; V209-R211 VanDerWaalsContact O-N 3.11Å; V209-D213 HydrophobicContact CG1-CB 4.3Å; V209-D213 WeakPolarHBondContact CG1-OD2 3.44Å
210A32.6Very low46.3Very low37 Ų3786.4 Ų86.431%0.30643%0.434SS..THydrogen-bonded Turntrans-77.5-8.1-144.900000119.4L205L205-A210 HydrophobicContact CB-CB 4.02Å
211R34.9Very low46.2Very low243 Ų24381.8 Ų81.892%0.91741%0.414SS*.THydrogen-bonded Turntrans-73.6-80.7-176.3-53.7179.8-166.8166.80.4118.7V209V209-R211 PolarHBondContact O-N 3.49Å; V209-R211 VanDerWaalsContact O-N 3.11Å
212K38.7Very low46.7Very low179 Ų17983.5 Ų83.578%0.77843%0.432SS*.THydrogen-bonded Turntrans-98-3-160.4-74.3-178.5170.9-178.40112.6S216K212-S216 PolarHBondContact O-OG 3.29Å
213D49.4Very low47Very low38 Ų3891.2 Ų91.220%0.20346%0.455CS..Hα-helixtrans-90.1-28-168.2-66.3-20000112.7F176 V209 S216 V217F176-D213 WeakPolarHBondContact CD2-OD1 3.37Å; F176-D213 WeakPolarHBondContact CE2-OD1 3.32Å; V209-D213 HydrophobicContact CG1-CB 4.3Å; V209-D213 WeakPolarHBondContact CG1-OD2 3.44Å; D213-S216 PolarHBondContact O-N 3.04Å; D213-V217 VanDerWaalsContact O-CB 3.32Å; D213-V217 WeakPolarHBondContact O-CB 3.35Å; D213-V217 WeakPolarHBondContact O-CG2 3.31Å; D213-V217 PolarHBondContact O-N 2.8Å
214K47.6Very low47.3Very low85 Ų8591.3 Ų91.337%0.3745%0.445SS..Hα-helixtrans-61.2-53.5178.1-169.9-173.8179.6-1670112I201 S216 V217 A218 E232I201-K214 HydrophobicContact CG2-CG 4.19Å; K214-S216 VanDerWaalsContact C-N 3.28Å; K214-S216 PolarHBondContact O-N 3.3Å; K214-V217 PolarHBondContact O-N 2.84Å; K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 3.26Å; K214-E232 IonicContact NZ-OE1 2.74Å; K214-E232 PolarHBondContact NZ-OE1 3.42Å
215E55.4Low48Very low150 Ų15085.6 Ų85.670%0.70142%0.417SS*.Hα-helixtrans-62-38.9177.3-81.6-175.2172.100111.4A218 N219E215-A218 PolarHBondContact O-N 3.09Å; E215-N219 WeakPolarHBondContact O-CB 3.15Å; E215-N219 PolarHBondContact O-N 3.23Å; E215-N219 PolarHBondContact O-ND2 3.01Å
216S53.7Low48.4Very low41 Ų4189.7 Ų89.729%0.28744%0.444SS..Hα-helixtrans-64.7-45.7179.9-62.90000112.1K212 D213 K214 F220K212-S216 PolarHBondContact O-OG 3.29Å; D213-S216 PolarHBondContact O-N 3.04Å; K214-S216 VanDerWaalsContact C-N 3.28Å; K214-S216 PolarHBondContact O-N 3.3Å; S216-F220 VanDerWaalsContact O-CB 3.23Å; S216-F220 WeakPolarHBondContact O-CB 3.49Å; S216-F220 PolarHBondContact O-N 2.85Å
217V54.9Low48.9Very low10 Ų1089.8 Ų89.86%0.06144%0.438CS..Hα-helixtrans-66.3-46.1176.3170.60000110.6Y172 L183 I201 D213 K214 N219 F220 F221Y172-V217 HydrophobicContact CD1-CG2 4.1Å; Y172-V217 HydrophobicContact CE1-CB 4.19Å; Y172-V217 HydrophobicContact CE1-CG1 3.67Å; Y172-V217 HydrophobicContact CE1-CG2 3.59Å; L183-V217 HydrophobicContact CD1-CG2 4.46Å; L183-V217 HydrophobicContact CD2-CG1 4.44Å; I201-V217 HydrophobicContact CD1-CG1 3.82Å; D213-V217 VanDerWaalsContact O-CB 3.32Å; D213-V217 WeakPolarHBondContact O-CB 3.35Å; D213-V217 WeakPolarHBondContact O-CG2 3.31Å; D213-V217 PolarHBondContact O-N 2.8Å; K214-V217 PolarHBondContact O-N 2.84Å; V217-N219 PolarHBondContact O-N 3.32Å; V217-F220 WeakPolarHBondContact O-CB 3.11Å; V217-F220 PolarHBondContact O-N 3.4Å; V217-F220 VanDerWaalsContact O-N 3.13Å; V217-F221 HydrophobicContact CG1-CD2 3.62Å; V217-F221 HydrophobicContact CG1-CE2 3.48Å; V217-F221 VanDerWaalsContact CG1-CE2 3.48Å; V217-F221 VanDerWaalsContact O-CD2 3.27Å; V217-F221 WeakPolarHBondContact O-CD2 2.99Å; V217-F221 PolarHBondContact O-N 2.96Å
218A59.9Low49.7Very low22 Ų2281.2 Ų81.218%0.18240%0.398CS..Hα-helixtrans-60.5-46.4177.100000111.4K214 E215 F220 F221 A222 L230K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 3.26Å; E215-A218 PolarHBondContact O-N 3.09Å; A218-F220 VanDerWaalsContact C-N 3.27Å; A218-F220 PolarHBondContact O-N 3.13Å; A218-F221 PolarHBondContact O-N 2.71Å; A218-A222 WeakPolarHBondContact O-CB 3.46Å; A218-A222 PolarHBondContact O-N 3.1Å; A218-L230 HydrophobicContact CB-CD1 3.55Å
219N58.2Low50.4Low82 Ų8278 Ų7844%0.43939%0.386SS..Hα-helixtrans-62.3-36174.4-75.4-34.9000111.7E215 V217 R223E215-N219 WeakPolarHBondContact O-CB 3.15Å; E215-N219 PolarHBondContact O-N 3.23Å; E215-N219 PolarHBondContact O-ND2 3.01Å; V217-N219 PolarHBondContact O-N 3.32Å; N219-R223 VanDerWaalsContact O-CB 3.27Å; N219-R223 WeakPolarHBondContact O-CB 3.27Å; N219-R223 WeakPolarHBondContact O-CD 3.24Å; N219-R223 WeakPolarHBondContact O-CG 3.08Å; N219-R223 PolarHBondContact O-N 3.16Å
220F55.4Low51.1Low28 Ų2880.3 Ų80.312%0.12340%0.397CS..Hα-helixtrans-65-50.9176.8-178.2-89.7000111.3L183 D184 I187 S216 V217 A218 R223 H224L183-F220 HydrophobicContact CB-CD1 3.83Å; L183-F220 HydrophobicContact CB-CE1 3.36Å; L183-F220 HydrophobicContact CB-CZ 3.78Å; L183-F220 HydrophobicContact CD1-CD1 4.11Å; L183-F220 HydrophobicContact CD1-CE1 4.41Å; L183-F220 HydrophobicContact CD1-CG 4.24Å; L183-F220 HydrophobicContact CG-CD1 4.42Å; L183-F220 HydrophobicContact CG-CE1 4.4Å; D184-F220 WeakPolarHBondContact OD1-CZ 3.32Å; I187-F220 HydrophobicContact CD1-CD1 3.92Å; I187-F220 HydrophobicContact CD1-CE1 3.34Å; I187-F220 HydrophobicContact CD1-CZ 4.21Å; I187-F220 HydrophobicContact CG1-CE1 4.21Å; S216-F220 VanDerWaalsContact O-CB 3.23Å; S216-F220 WeakPolarHBondContact O-CB 3.49Å; S216-F220 PolarHBondContact O-N 2.85Å; V217-F220 WeakPolarHBondContact O-CB 3.11Å; V217-F220 PolarHBondContact O-N 3.4Å; V217-F220 VanDerWaalsContact O-N 3.13Å; A218-F220 VanDerWaalsContact C-N 3.27Å; A218-F220 PolarHBondContact O-N 3.13Å; F220-R223 PolarHBondContact O-N 2.84Å; F220-H224 AromaticContact CD2-CE1 3.66Å; F220-H224 AromaticContact CD2-ND1 3.74Å; F220-H224 AromaticContact CE2-CE1 3.54Å; F220-H224 AromaticContact CE2-ND1 3.76Å; F220-H224 AromaticContact CG-ND1 3.98Å; F220-H224 PolarHBondContact O-N 2.91Å; F220-H224 VanDerWaalsContact O-N 3.09Å; F220-H224 PolarHBondContact O-ND1 2.78Å
221F57.2Low51.6Low1 Ų181.7 Ų81.70%0.00440%0.402CS..Hα-helixtrans-63.6-45.2176.3-76.4-66.8000111.8L167 L183 V186 I187 I199 V217 A218 R223 H224 K225 I228L167-F221 HydrophobicContact CD1-CZ 4.33Å; L167-F221 HydrophobicContact CD2-CE2 4.2Å; L167-F221 HydrophobicContact CD2-CZ 4.09Å; L183-F221 HydrophobicContact CD2-CE2 4.06Å; L183-F221 HydrophobicContact CD2-CZ 4.03Å; V186-F221 HydrophobicContact CG1-CE1 4.14Å; V186-F221 HydrophobicContact CG1-CZ 3.89Å; I187-F221 HydrophobicContact CD1-CD1 3.93Å; I187-F221 HydrophobicContact CD1-CE1 4.14Å; I187-F221 HydrophobicContact CG1-CD1 3.7Å; I187-F221 HydrophobicContact CG1-CE1 3.48Å; I187-F221 VanDerWaalsContact CG1-CE1 3.48Å; I199-F221 HydrophobicContact CD1-CD1 3.96Å; I199-F221 HydrophobicContact CD1-CE1 3.48Å; I199-F221 VanDerWaalsContact CD1-CE1 3.48Å; I199-F221 HydrophobicContact CD1-CE2 4.26Å; I199-F221 HydrophobicContact CD1-CZ 3.66Å; V217-F221 HydrophobicContact CG1-CD2 3.62Å; V217-F221 HydrophobicContact CG1-CE2 3.48Å; V217-F221 VanDerWaalsContact CG1-CE2 3.48Å; V217-F221 VanDerWaalsContact O-CD2 3.27Å; V217-F221 WeakPolarHBondContact O-CD2 2.99Å; V217-F221 PolarHBondContact O-N 2.96Å; A218-F221 PolarHBondContact O-N 2.71Å; F221-R223 PolarHBondContact O-N 3.39Å; F221-H224 PolarHBondContact O-N 3.48Å; F221-K225 CarbonylContact O-C 3.56Å; F221-K225 WeakPolarHBondContact O-CA 3.49Å; F221-K225 PolarHBondContact O-N 3.5Å; F221-K225 VanDerWaalsContact O-O 3.12Å; F221-I228 HydrophobicContact CD1-CD1 3.71Å; F221-I228 HydrophobicContact CE1-CD1 4.23Å
222A62.9Low52.1Low60 Ų6076.7 Ų76.750%0.49639%0.389SS..Hα-helixtrans-59.9-33177.900000113A218A218-A222 WeakPolarHBondContact O-CB 3.46Å; A218-A222 PolarHBondContact O-N 3.1Å
223R56.6Low52.3Low201 Ų20173.8 Ų73.876%0.75838%0.382SS*.Hα-helixtrans-76.7-39.5177.4-78.1174.7-174.4-172.43.4113.5N219 F220 F221N219-R223 VanDerWaalsContact O-CB 3.27Å; N219-R223 WeakPolarHBondContact O-CB 3.27Å; N219-R223 WeakPolarHBondContact O-CD 3.24Å; N219-R223 WeakPolarHBondContact O-CG 3.08Å; N219-R223 PolarHBondContact O-N 3.16Å; F220-R223 PolarHBondContact O-N 2.84Å; F221-R223 PolarHBondContact O-N 3.39Å
224H52.5Low51.7Low104 Ų10479.4 Ų79.448%0.48141%0.412SS..Hα-helixtrans-97.4-27.3-170.7-64.488.7000113I187 F220 F221I187-H224 HydrophobicContact CD1-CB 3.6Å; F220-H224 AromaticContact CD2-CE1 3.66Å; F220-H224 AromaticContact CD2-ND1 3.74Å; F220-H224 AromaticContact CE2-CE1 3.54Å; F220-H224 AromaticContact CE2-ND1 3.76Å; F220-H224 AromaticContact CG-ND1 3.98Å; F220-H224 PolarHBondContact O-N 2.91Å; F220-H224 VanDerWaalsContact O-N 3.09Å; F220-H224 PolarHBondContact O-ND1 2.78Å; F221-H224 PolarHBondContact O-N 3.48Å
225K53.6Low51.2Low52 Ų5279 Ų7923%0.22643%0.432CS..  trans-15283.5177.4-88.1-136160.8-155.40111.9I187 S191 F221 E227 I228I187-K225 HydrophobicContact CG2-CB 4.49Å; I187-K225 HydrophobicContact CG2-CD 4.13Å; I187-K225 HydrophobicContact CG2-CG 3.85Å; S191-K225 WeakPolarHBondContact OG-CD 3.32Å; S191-K225 WeakPolarHBondContact OG-CE 3.2Å; S191-K225 PolarHBondContact OG-NZ 2.85Å; S191-K225 VanDerWaalsContact OG-NZ 3.11Å; F221-K225 CarbonylContact O-C 3.56Å; F221-K225 WeakPolarHBondContact O-CA 3.49Å; F221-K225 PolarHBondContact O-N 3.5Å; F221-K225 VanDerWaalsContact O-O 3.12Å; K225-E227 HydrophobicContact CD-CG 4.3Å; K225-E227 VanDerWaalsContact CD-OE1 3.24Å; K225-E227 WeakPolarHBondContact CD-OE1 3.49Å; K225-E227 WeakPolarHBondContact CE-OE1 3.4Å; K225-E227 IonicContact NZ-OE1 2.71Å; K225-E227 PolarHBondContact NZ-OE1 3.11Å; K225-E227 PolarHBondContact O-N 2.84Å; K225-E227 VanDerWaalsContact O-N 3.16Å; K225-I228 HydrophobicContact CB-CD1 3.56Å; K225-I228 HydrophobicContact CB-CG1 4.01Å; K225-I228 HydrophobicContact CD-CD1 4.34Å; K225-I228 HydrophobicContact CG-CD1 4.46Å; K225-I228 WeakPolarHBondContact O-CB 3.22Å; K225-I228 PolarHBondContact O-N 3.42Å; K225-I228 VanDerWaalsContact O-N 3.1Å
226P52.8Low50.1Low99 Ų9974.4 Ų74.464%0.64342%0.424SS*.THydrogen-bonded Turntrans-65-17.4-178.526.7-33.7000113.6I228P226-I228 PolarHBondContact O-N 3.37Å
227E47.6Very low49Very low84 Ų8482.9 Ų82.939%0.39346%0.456SS..THydrogen-bonded Turntrans-67.6-14.9172.660.1-108.3-149.500114.7K225 T229K225-E227 HydrophobicContact CD-CG 4.3Å; K225-E227 VanDerWaalsContact CD-OE1 3.24Å; K225-E227 WeakPolarHBondContact CD-OE1 3.49Å; K225-E227 WeakPolarHBondContact CE-OE1 3.4Å; K225-E227 IonicContact NZ-OE1 2.71Å; K225-E227 PolarHBondContact NZ-OE1 3.11Å; K225-E227 PolarHBondContact O-N 2.84Å; K225-E227 VanDerWaalsContact O-N 3.16Å; E227-T229 PolarHBondContact O-N 3.32Å; E227-T229 VanDerWaalsContact O-N 3.11Å
228I49.1Very low47.6Very low14 Ų1491.5 Ų91.57%0.07250%0.496CS..SBendtrans-76.999.6175.5-63.7168.6000108.4I199 F221 K225 P226 L230I199-I228 HydrophobicContact CB-CG2 4.16Å; I199-I228 HydrophobicContact CD1-CD1 4.06Å; I199-I228 HydrophobicContact CD1-CG2 3.52Å; I199-I228 HydrophobicContact CG1-CG2 3.67Å; F221-I228 HydrophobicContact CD1-CD1 3.71Å; F221-I228 HydrophobicContact CE1-CD1 4.23Å; K225-I228 HydrophobicContact CB-CD1 3.56Å; K225-I228 HydrophobicContact CB-CG1 4.01Å; K225-I228 HydrophobicContact CD-CD1 4.34Å; K225-I228 HydrophobicContact CG-CD1 4.46Å; K225-I228 WeakPolarHBondContact O-CB 3.22Å; K225-I228 PolarHBondContact O-N 3.42Å; K225-I228 VanDerWaalsContact O-N 3.1Å; P226-I228 PolarHBondContact O-N 3.37Å; I228-L230 PolarHBondContact O-N 3.48Å
229T49.3Very low46Very low89 Ų8995.5 Ų95.555%0.54652%0.522SS..  trans-71.4117175.2-21.20000109.8E227 T231E227-T229 PolarHBondContact O-N 3.32Å; E227-T229 VanDerWaalsContact O-N 3.11Å; T229-T231 PolarHBondContact O-N 3.34Å
230L50.2Low44.3Very low67 Ų6798.8 Ų98.835%0.35154%0.539SS..  trans-81.8108.8172.2-63.2172.8000108.6I201 A218 I228I201-L230 HydrophobicContact CD1-CD1 4.43Å; I201-L230 HydrophobicContact CD1-CD2 3.68Å; I201-L230 HydrophobicContact CG1-CD2 4.07Å; A218-L230 HydrophobicContact CB-CD1 3.55Å; I228-L230 PolarHBondContact O-N 3.48Å
231T45Very low42.8Very low66 Ų66104.5 Ų104.541%0.40557%0.57SS.*  trans-96.7125.5171.938.50000110.2P198 T229P198-T231 WeakPolarHBondContact CB-OG1 3.41Å; T229-T231 PolarHBondContact O-N 3.34Å
232E43.5Very low41.4Very low139 Ų139110 Ų11065%0.6560%0.599SS**  trans-76.4137.2171.4-55.6-161.2126.600109.4K214 D234K214-E232 IonicContact NZ-OE1 2.74Å; K214-E232 PolarHBondContact NZ-OE1 3.42Å; E232-D234 PolarHBondContact O-N 3.31Å
233D43.3Very low39.9Very low117 Ų117113.1 Ų113.163%0.62661%0.607SS**  trans-86.4102.5171.8-164.620.7000108.9G235D233-G235 PolarHBondContact O-N 3.11Å
234D37.6Very low38.9Very low157 Ų157112 Ų11284%0.8461%0.61SS**  trans-7379166.9-83.4-26.1000109.2E232E232-D234 PolarHBondContact O-N 3.31Å
235G37.2Very low37.8Very low76 Ų76116.3 Ų116.378%0.78463%0.63SS**  trans77.479.7156.100000117.4D233D233-G235 PolarHBondContact O-N 3.11Å
236G31.3Very low36.7Very low53 Ų53124.8 Ų124.855%0.54667%0.674SS.*  trans-112.6108.2158.300000111.4E238G236-E238 PolarHBondContact O-N 2.74Å
237K30.1Very low35.9Very low219 Ų219126.1 Ų126.195%0.95268%0.675SS**  trans-59.3102.3177.7-69.3168.4174.7173.70111.7
238E27.2Very low35.2Very low192 Ų192128.3 Ų128.390%0.89769%0.69SS**  trans-89.6124.7159.4-78.1-168.6161.300110.1G236G236-E238 PolarHBondContact O-N 2.74Å
239S24.7Very low34.5Very low106 Ų106134.7 Ų134.774%0.74172%0.724SS**  trans-67.8127.6-168.947.30000114.3
240L24.3Very low33.6Very low150 Ų150137.4 Ų137.479%0.78574%0.735SS**  trans22.4103.2139.9-70.2153.5000116.8D242L240-D242 HydrophobicContact CD2-CB 4.43Å
241I23.6Very low32.6Very low149 Ų149141.8 Ų141.876%0.76476%0.759SS**  trans-101.694.6136.9-55.5179.4000105.2L243I241-L243 HydrophobicContact CG2-CD2 3.99Å; I241-L243 HydrophobicContact CG2-CG 3.91Å; I241-L243 PolarHBondContact O-N 3.41Å
242D27Very low31.7Very low115 Ų115146.8 Ų146.862%0.61578%0.782SS**  trans-74.1103.2170.9-155.5-16.1000107.5L240 E244L240-D242 HydrophobicContact CD2-CB 4.43Å; D242-E244 VanDerWaalsContact C-N 3.26Å
243L31.5Very low30.9Very low127 Ų127147.4 Ų147.467%0.66579%0.792SS**G310 helixtrans-87.711-179.6-77.1171000112.5I241 E245I241-L243 HydrophobicContact CG2-CD2 3.99Å; I241-L243 HydrophobicContact CG2-CG 3.91Å; I241-L243 PolarHBondContact O-N 3.41Å; L243-E245 VanDerWaalsContact C-N 3.28Å; L243-E245 PolarHBondContact O-N 2.98Å
244E36.2Very low29.9Very low177 Ų177149.7 Ų149.783%0.82781%0.805SS**G310 helixtrans-858.5174.8-68-163.9167.900114.2D242D242-E244 VanDerWaalsContact C-N 3.26Å
245E29.8Very low29.3Very low195 Ų195149.1 Ų149.191%0.91180%0.802SS**G310 helixtrans-97.728.5163.2-94.7-167.5169.400114.2L243L243-E245 VanDerWaalsContact C-N 3.28Å; L243-E245 PolarHBondContact O-N 2.98Å
246M28.6Very low28.6Very low230 Ų230155.7 Ų155.7100%1.13380%0.803SS**  trans-127.50163.3-72.5-163.772.800112.1

Retrieved 246 of 246 residues in 581.7 ms (Link to these results)

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