A0A077ZEL3_TRITR Loading...

Amidinotransferase family protein

AlphaFold DB , UniProt , Accession A0A077ZEL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 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
1M69.3Low95.1Very high173 Ų17344.3 Ų44.385%0.85223%0.234SC*.  0130.30-156.4179.4-73.200107.3
2F91.7Very high95.4Very high36 Ų3649.2 Ų49.216%0.15825%0.248CC..  trans-82.5150.4-177.453.3-85.2000110.2V5 I48 V214 K259 L260F2-V5 HydrophobicContact CD2-CG1 3.75Å; F2-V5 HydrophobicContact CE2-CG1 3.82Å; F2-I48 HydrophobicContact CD2-CD1 4.21Å; F2-I48 HydrophobicContact CE2-CD1 4.23Å; F2-V214 HydrophobicContact CE2-CG2 4.18Å; F2-V214 HydrophobicContact CZ-CG2 3.99Å; F2-K259 HydrophobicContact CB-CB 4.14Å; F2-K259 HydrophobicContact CD1-CB 3.87Å; F2-K259 HydrophobicContact CD1-CD 3.72Å; F2-K259 HydrophobicContact CD1-CG 3.65Å; F2-K259 HydrophobicContact CD2-CB 4.38Å; F2-K259 HydrophobicContact CD2-CG 4.19Å; F2-K259 HydrophobicContact CE1-CB 4.44Å; F2-K259 HydrophobicContact CE1-CD 3.54Å; F2-K259 HydrophobicContact CE1-CG 3.7Å; F2-K259 HydrophobicContact CE2-CG 4.21Å; F2-K259 HydrophobicContact CG-CB 3.86Å; F2-K259 HydrophobicContact CG-CD 4.49Å; F2-K259 HydrophobicContact CG-CG 3.93Å; F2-K259 HydrophobicContact CZ-CD 4.15Å; F2-K259 HydrophobicContact CZ-CG 3.98Å; F2-L260 WeakPolarHBondContact CB-O 3.47Å
3S95.4Very high95.6Very high78 Ų7846.2 Ų46.255%0.54523%0.233SC..SBendtrans-118.6-9.9176.257.50000112.8E49S3-E49 PolarHBondContact O-N 2.98Å
4K98.1Very high95.8Very high78 Ų7850.6 Ų50.634%0.33925%0.25SC..EExtended strand (participates in β ladder)trans-130.2152.6175.7-46.4-165.8-178-144.50109.6E49 L51 L260K4-E49 CarbonylContact C-O 3.48Å; K4-E49 VanDerWaalsContact CA-O 3.24Å; K4-E49 WeakPolarHBondContact CA-O 2.98Å; K4-E49 HydrophobicContact CB-CB 4.41Å; K4-E49 WeakPolarHBondContact CD-OE2 3.24Å; K4-E49 WeakPolarHBondContact CE-OE2 3.34Å; K4-E49 HydrophobicContact CG-CB 4.07Å; K4-E49 IonicContact NZ-OE1 3.64Å; K4-E49 PolarHBondContact NZ-OE1 3.07Å; K4-E49 IonicContact NZ-OE2 3.58Å; K4-E49 PolarHBondContact NZ-OE2 3.08Å; K4-L51 HydrophobicContact CD-CD1 4.36Å; K4-L260 HydrophobicContact CB-CB 4.07Å; K4-L260 HydrophobicContact CB-CD1 4.19Å; K4-L260 PolarHBondContact O-N 2.96Å
5V98.6Very high95.9Very high0 Ų050.3 Ų50.30%025%0.249CC..EExtended strand (participates in β ladder)trans-134.2152169.4-62.20000110F2 M7 L43 I48 E49 V50 L51 I257 L258F2-V5 HydrophobicContact CD2-CG1 3.75Å; F2-V5 HydrophobicContact CE2-CG1 3.82Å; V5-M7 HydrophobicContact CG2-CG 4.39Å; V5-L43 HydrophobicContact CG2-CD1 4.23Å; V5-I48 HydrophobicContact CB-CG2 4.32Å; V5-I48 HydrophobicContact CG1-CG2 3.79Å; V5-I48 HydrophobicContact CG2-CG2 3.84Å; V5-E49 PolarHBondContact N-O 3.35Å; V5-V50 HydrophobicContact CG2-CB 4.34Å; V5-V50 HydrophobicContact CG2-CG1 4.36Å; V5-V50 HydrophobicContact CG2-CG2 3.85Å; V5-L51 PolarHBondContact O-N 3.22Å; V5-I257 HydrophobicContact CB-CB 4.36Å; V5-I257 HydrophobicContact CG1-CD1 3.88Å; V5-L258 CarbonylContact C-O 3.48Å; V5-L258 WeakPolarHBondContact CA-O 2.97Å; V5-L258 WeakPolarHBondContact CB-O 3.33Å
6L98.8Very high95.9Very high0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-100.1131.7166175.462.7000109.6L51 I53 F93 W96 F97 L258 L260L6-L51 WeakPolarHBondContact CA-O 3.37Å; L6-L51 HydrophobicContact CD1-CB 4.45Å; L6-I53 HydrophobicContact CD1-CB 4.03Å; L6-I53 HydrophobicContact CD1-CG2 4.21Å; L6-F93 HydrophobicContact CD2-CD1 4Å; L6-F93 HydrophobicContact CD2-CE1 3.94Å; L6-W96 HydrophobicContact CB-CH2 4.3Å; L6-W96 HydrophobicContact CD1-CD2 4.09Å; L6-W96 HydrophobicContact CD1-CE3 4.5Å; L6-W96 HydrophobicContact CD1-CH2 4.01Å; L6-W96 HydrophobicContact CD1-CZ2 3.51Å; L6-W96 HydrophobicContact CD1-CZ3 4.46Å; L6-W96 HydrophobicContact CD2-CD2 3.86Å; L6-W96 HydrophobicContact CD2-CE3 3.67Å; L6-W96 HydrophobicContact CD2-CH2 4.23Å; L6-W96 HydrophobicContact CD2-CZ2 4.37Å; L6-W96 HydrophobicContact CD2-CZ3 3.87Å; L6-W96 HydrophobicContact CG-CH2 4.42Å; L6-W96 HydrophobicContact CG-CZ2 4.37Å; L6-F97 HydrophobicContact CD2-CE1 4.23Å; L6-L258 HydrophobicContact CB-CB 4.2Å; L6-L258 HydrophobicContact CD2-CD2 4.38Å; L6-L258 PolarHBondContact N-O 2.68Å; L6-L258 PolarHBondContact O-N 3.05Å; L6-L260 HydrophobicContact CB-CD1 4.14Å; L6-L260 HydrophobicContact CB-CD2 4.33Å; L6-L260 HydrophobicContact CB-CG 4.37Å
7M98.9Very high95.9Very high0 Ų050.7 Ų50.70%026%0.26CS..EExtended strand (participates in β ladder)trans-124.8155171.4-64.7-18069.700110.5V5 W36 L39 K40 L43 V50 L51 T52 I53 I257V5-M7 HydrophobicContact CG2-CG 4.39Å; M7-W36 HydrophobicContact CB-CZ2 3.77Å; M7-W36 HydrophobicContact CE-CD2 4.3Å; M7-W36 HydrophobicContact CE-CG 4.39Å; M7-W36 HydrophobicContact CE-CZ2 4.24Å; M7-L39 HydrophobicContact CE-CB 4.49Å; M7-L39 HydrophobicContact CE-CD2 3.84Å; M7-L39 HydrophobicContact CE-CG 4.05Å; M7-K40 HydrophobicContact CE-CB 4.32Å; M7-K40 HydrophobicContact SD-CB 4.22Å; M7-L43 HydrophobicContact CE-CD1 4.43Å; M7-L43 HydrophobicContact SD-CD1 3.59Å; M7-L43 VanDerWaalsContact SD-CD1 3.59Å; M7-V50 HydrophobicContact CB-CG1 4.19Å; M7-V50 HydrophobicContact CG-CG1 3.92Å; M7-V50 HydrophobicContact SD-CG1 3.52Å; M7-V50 VanDerWaalsContact SD-CG1 3.52Å; M7-V50 HydrophobicContact SD-CG2 4.38Å; M7-L51 PolarHBondContact N-O 2.92Å; M7-T52 VanDerWaalsContact O-CA 3.23Å; M7-T52 WeakPolarHBondContact O-CA 3.24Å; M7-I53 PolarHBondContact O-N 2.97Å; M7-I53 VanDerWaalsContact O-N 3.1Å; M7-I257 HydrophobicContact CE-CG2 4.42Å; M7-I257 HydrophobicContact CG-CG2 3.93Å; M7-I257 HydrophobicContact SD-CG2 4.1Å
8C98.8Very high96Very high0 Ų055.3 Ų55.30%028%0.278CS..  trans-115.7123.1171.1179.80000109.6W36 I53 M62C8-W36 PolarHBondContact O-NE1 3.1Å; C8-I53 HydrophobicContact CB-CG2 3.54Å; C8-M62 HydrophobicContact CB-CB 4.42Å; C8-M62 WeakPolarHBondContact CB-O 3.32Å
9P98.8Very high96.1Very high22 Ų2253.3 Ų53.314%0.14327%0.268CS..  trans-57.1145.7176.4-27.436.4000113.4N11 W36 I53 P55P9-N11 VanDerWaalsContact C-N 3.25Å; P9-N11 WeakPolarHBondContact CB-OD1 3.48Å; P9-N11 PolarHBondContact O-N 3.29Å; P9-N11 VanDerWaalsContact O-N 3.14Å; P9-W36 HydrophobicContact CB-CH2 4.42Å; P9-W36 HydrophobicContact CB-CZ2 4.28Å; P9-W36 HydrophobicContact CG-CH2 3.95Å; P9-W36 HydrophobicContact CG-CZ2 3.89Å; P9-I53 WeakPolarHBondContact CD-O 3.43Å; P9-P55 HydrophobicContact CB-CG 4.34Å; P9-P55 WeakPolarHBondContact O-CB 3.42Å
10P98.7Very high96.1Very high3 Ų351.3 Ų51.32%0.01926%0.258CS..  trans-86.527.6-17336.7-37.9000114.3Y12 F13 M33 W36 V63 F246P10-Y12 PolarHBondContact O-N 3.4Å; P10-Y12 VanDerWaalsContact O-N 3.11Å; P10-F13 HydrophobicContact CB-CB 3.76Å; P10-F13 HydrophobicContact CB-CG 4.48Å; P10-F13 WeakPolarHBondContact O-CB 3.43Å; P10-F13 PolarHBondContact O-N 2.98Å; P10-F13 VanDerWaalsContact O-N 3.08Å; P10-M33 HydrophobicContact CG-CB 4.39Å; P10-M33 HydrophobicContact CG-CE 3.91Å; P10-M33 HydrophobicContact CG-SD 4.03Å; P10-W36 HydrophobicContact CG-CB 3.81Å; P10-W36 HydrophobicContact CG-CG 4Å; P10-V63 VanDerWaalsContact CA-CG1 3.47Å; P10-V63 HydrophobicContact CB-CG1 3.81Å; P10-F246 HydrophobicContact CB-CE1 4.24Å; P10-F246 HydrophobicContact CB-CZ 4.14Å; P10-F246 HydrophobicContact CG-CZ 4.41Å
11N98.6Very high96.2Very high97 Ų9750.9 Ų50.952%0.51926%0.259SS..THydrogen-bonded Turntrans-56.3-31.8-175.5-67.372.3000114P9 P55P9-N11 VanDerWaalsContact C-N 3.25Å; P9-N11 WeakPolarHBondContact CB-OD1 3.48Å; P9-N11 PolarHBondContact O-N 3.29Å; P9-N11 VanDerWaalsContact O-N 3.14Å; N11-P55 HydrophobicContact CB-CG 3.93Å
12Y98.5Very high97.4Very high103 Ų10344.6 Ų44.640%0.40423%0.226SC..THydrogen-bonded Turntrans-116.211.8179.8-54.5-62.9000112.8P10 K14 P55 Q56 P57 P60P10-Y12 PolarHBondContact O-N 3.4Å; P10-Y12 VanDerWaalsContact O-N 3.11Å; Y12-K14 PolarHBondContact O-N 3.35Å; Y12-P55 HydrophobicContact CD2-CB 3.91Å; Y12-P55 HydrophobicContact CD2-CG 4.19Å; Y12-P55 HydrophobicContact CE2-CB 4.37Å; Y12-P55 HydrophobicContact CE2-CG 4.21Å; Y12-P55 WeakPolarHBondContact CE2-O 3.38Å; Y12-Q56 WeakPolarHBondContact CD2-O 3.48Å; Y12-P57 HydrophobicContact CD1-CB 4.2Å; Y12-P57 HydrophobicContact CD1-CG 4.42Å; Y12-P57 HydrophobicContact CD2-CG 4.3Å; Y12-P57 HydrophobicContact CE1-CB 4.17Å; Y12-P57 HydrophobicContact CE1-CG 3.97Å; Y12-P57 HydrophobicContact CE2-CG 3.85Å; Y12-P57 HydrophobicContact CG-CB 4.39Å; Y12-P60 WeakPolarHBondContact O-CB 3.36Å
13F98.6Very high97.7Very high10 Ų1043 Ų434%0.04422%0.219CC..  trans-67.1124-179178.6-127.8000110.9P10 V27 A32 V63 F64 E245 F246P10-F13 HydrophobicContact CB-CB 3.76Å; P10-F13 HydrophobicContact CB-CG 4.48Å; P10-F13 WeakPolarHBondContact O-CB 3.43Å; P10-F13 PolarHBondContact O-N 2.98Å; P10-F13 VanDerWaalsContact O-N 3.08Å; F13-V27 HydrophobicContact CD1-CG1 3.65Å; F13-V27 HydrophobicContact CD1-CG2 4.36Å; F13-V27 HydrophobicContact CE1-CB 4.47Å; F13-V27 HydrophobicContact CE1-CG1 3.75Å; F13-V27 HydrophobicContact CE1-CG2 3.83Å; F13-V27 HydrophobicContact CZ-CG2 4.08Å; F13-A32 HydrophobicContact CD1-CB 4.02Å; F13-V63 HydrophobicContact CB-CG1 3.88Å; F13-V63 HydrophobicContact CD2-CG1 4.44Å; F13-V63 HydrophobicContact CD2-CG2 3.55Å; F13-V63 HydrophobicContact CE2-CG2 3.95Å; F13-V63 HydrophobicContact CG-CG1 4.27Å; F13-V63 HydrophobicContact CG-CG2 4.08Å; F13-F64 AromaticContact CE2-CE2 3.93Å; F13-F64 HydrophobicContact CE2-CE2 3.93Å; F13-F64 AromaticContact CE2-CZ 3.83Å; F13-F64 HydrophobicContact CE2-CZ 3.83Å; F13-F64 HydrophobicContact CZ-CZ 4.1Å; F13-E245 WeakPolarHBondContact CE1-O 3.49Å; F13-F246 HydrophobicContact CD1-CD1 4.14Å; F13-F246 AromaticContact CD1-CE1 3.87Å; F13-F246 HydrophobicContact CD1-CE1 3.87Å; F13-F246 AromaticContact CE1-CD1 3.7Å; F13-F246 HydrophobicContact CE1-CD1 3.7Å; F13-F246 AromaticContact CE1-CE1 3.91Å; F13-F246 HydrophobicContact CE1-CE1 3.91Å; F13-F246 HydrophobicContact CE1-CG 4.4Å; F13-F246 HydrophobicContact CG-CE1 4.43Å; F13-F246 AromaticContact CZ-CD1 3.98Å; F13-F246 HydrophobicContact CZ-CD1 3.98Å
14K98Very high97.7Very high109 Ų10945 Ų4547%0.47422%0.223SC..  trans-165.1156.5177.562.9-171.9176.3-172.60109.1Y12 A16 P60Y12-K14 PolarHBondContact O-N 3.35Å; K14-A16 HydrophobicContact CG-CB 4.3Å; K14-A16 PolarHBondContact O-N 3.15Å; K14-A16 VanDerWaalsContact O-N 3.16Å; K14-P60 HydrophobicContact CG-CB 4.03Å; K14-P60 WeakPolarHBondContact O-CB 3.47Å
15I97.5Very high97.5Very high45 Ų4543.6 Ų43.623%0.23123%0.231CC..  trans-82.894.9170.6-60.4165.7000107.6Y17 M23 D24 V27 K248I15-Y17 WeakPolarHBondContact CG2-O 3.43Å; I15-M23 HydrophobicContact CG2-CB 4.33Å; I15-D24 WeakPolarHBondContact CD1-O 3.46Å; I15-V27 HydrophobicContact CD1-CG2 4.21Å; I15-V27 HydrophobicContact CG1-CG2 4.1Å; I15-K248 HydrophobicContact CD1-CB 3.83Å; I15-K248 WeakPolarHBondContact CD1-O 3.49Å
16A95.8Very high97.4Very high62 Ų6249.5 Ų49.551%0.51227%0.267SS..  trans-93.8-13.7-179.900000113.4K14 P60K14-A16 HydrophobicContact CG-CB 4.3Å; K14-A16 PolarHBondContact O-N 3.15Å; K14-A16 VanDerWaalsContact O-N 3.16Å; A16-P60 HydrophobicContact CB-CG 4.1Å
17Y96.8Very high97.4Very high46 Ų4650.6 Ų50.618%0.1827%0.273CS..SBendtrans-158.9170.9-176.645.4-103000109.2I15 I19 M23 P60 D61 E85I15-Y17 WeakPolarHBondContact CG2-O 3.43Å; Y17-I19 HydrophobicContact CD2-CD1 4.36Å; Y17-I19 HydrophobicContact CD2-CG1 4.13Å; Y17-I19 HydrophobicContact CD2-CG2 3.98Å; Y17-I19 HydrophobicContact CE2-CD1 3.86Å; Y17-I19 HydrophobicContact CE2-CG1 4.07Å; Y17-I19 HydrophobicContact CE2-CG2 4.46Å; Y17-M23 HydrophobicContact CE2-CE 4.26Å; Y17-P60 HydrophobicContact CE1-CG 3.94Å; Y17-D61 WeakPolarHBondContact CE2-OD2 3.39Å; Y17-D61 PolarHBondContact OH-OD2 3.31Å; Y17-E85 HydrophobicContact CD1-CB 3.94Å; Y17-E85 HydrophobicContact CD1-CG 3.81Å; Y17-E85 HydrophobicContact CD2-CB 4.07Å; Y17-E85 HydrophobicContact CD2-CG 4.02Å; Y17-E85 HydrophobicContact CE1-CB 3.64Å; Y17-E85 HydrophobicContact CE1-CG 4.07Å; Y17-E85 HydrophobicContact CE2-CB 3.79Å; Y17-E85 HydrophobicContact CE2-CG 4.26Å; Y17-E85 HydrophobicContact CG-CB 4.13Å; Y17-E85 HydrophobicContact CG-CG 3.77Å
18K96.8Very high97.4Very high133 Ų13354.1 Ų54.158%0.57829%0.292SS*.  trans-125110.2177.8-177.1164.4-173.3139.70110.4N20 P21 M23K18-N20 WeakPolarHBondContact CE-O 3.31Å; K18-P21 PolarHBondContact NZ-O 3.17Å; K18-M23 HydrophobicContact CB-CB 4.45Å; K18-M23 WeakPolarHBondContact CD-O 3.23Å; K18-M23 WeakPolarHBondContact CE-O 3.48Å; K18-M23 HydrophobicContact CG-CB 4.06Å; K18-M23 PolarHBondContact NZ-O 3.33Å
19I97.3Very high97.3Very high18 Ų1857.5 Ų57.59%0.09232%0.316CS..  trans-123.3-2179.358.3169000113Y17 M23 Y83 R86 R133Y17-I19 HydrophobicContact CD2-CD1 4.36Å; Y17-I19 HydrophobicContact CD2-CG1 4.13Å; Y17-I19 HydrophobicContact CD2-CG2 3.98Å; Y17-I19 HydrophobicContact CE2-CD1 3.86Å; Y17-I19 HydrophobicContact CE2-CG1 4.07Å; Y17-I19 HydrophobicContact CE2-CG2 4.46Å; I19-M23 HydrophobicContact CD1-CE 4.27Å; I19-M23 HydrophobicContact CG1-CE 3.73Å; I19-M23 HydrophobicContact CG1-SD 3.6Å; I19-M23 PolarHBondContact N-SD 3.02Å; I19-Y83 HydrophobicContact CB-CD1 3.95Å; I19-Y83 HydrophobicContact CB-CD2 4.19Å; I19-Y83 HydrophobicContact CB-CE1 4.2Å; I19-Y83 HydrophobicContact CB-CE2 4.43Å; I19-Y83 HydrophobicContact CB-CG 3.92Å; I19-Y83 HydrophobicContact CD1-CD2 4.31Å; I19-Y83 HydrophobicContact CD1-CG 4.25Å; I19-Y83 HydrophobicContact CG2-CD1 3.69Å; I19-Y83 HydrophobicContact CG2-CE1 4.26Å; I19-Y83 HydrophobicContact CG2-CG 3.89Å; I19-R86 HydrophobicContact CD1-CG 4.1Å; I19-R133 PolarHBondContact O-NH2 2.94Å
20N97.4Very high97.3Very high12 Ų1261.7 Ų61.76%0.06434%0.337CS..SBendtrans-140.6165.3174.77544.6000109.7K18 W22 M23 Y161 S249K18-N20 WeakPolarHBondContact CE-O 3.31Å; N20-W22 VanDerWaalsContact C-N 3.31Å; N20-W22 PolarHBondContact O-N 3.37Å; N20-W22 WeakPolarHBondContact OD1-CA 3.49Å; N20-W22 WeakPolarHBondContact OD1-CB 3.24Å; N20-W22 PolarHBondContact OD1-N 2.91Å; N20-M23 WeakPolarHBondContact OD1-CG 3.18Å; N20-M23 PolarHBondContact OD1-N 3.28Å; N20-Y161 HydrophobicContact CB-CD1 3.68Å; N20-Y161 HydrophobicContact CB-CD2 4.42Å; N20-Y161 HydrophobicContact CB-CE1 3.6Å; N20-Y161 HydrophobicContact CB-CE2 4.32Å; N20-Y161 HydrophobicContact CB-CG 4.1Å; N20-Y161 PolarHBondContact ND2-OH 3.42Å; N20-S249 PolarHBondContact ND2-O 3.07Å
21P96.8Very high97.3Very high43 Ų4362.9 Ų62.928%0.27934%0.344SS..SBendtrans-69.8-26.8-175.620.9-26.4000113.9K18 W159K18-P21 PolarHBondContact NZ-O 3.17Å; P21-W159 HydrophobicContact CB-CD2 4.38Å; P21-W159 HydrophobicContact CB-CE3 3.63Å; P21-W159 HydrophobicContact CB-CH2 4.16Å; P21-W159 HydrophobicContact CB-CZ3 3.52Å; P21-W159 HydrophobicContact CG-CD2 4.28Å; P21-W159 HydrophobicContact CG-CE3 3.9Å; P21-W159 HydrophobicContact CG-CZ3 4.28Å
22W96.4Very high97.3Very high41 Ų4158.3 Ų58.316%0.15532%0.32CS..SBendtrans-77.8-25-175.3-58.590.8000114.1N20 D24 W159 Y161 M165 D205 F207N20-W22 VanDerWaalsContact C-N 3.31Å; N20-W22 PolarHBondContact O-N 3.37Å; N20-W22 WeakPolarHBondContact OD1-CA 3.49Å; N20-W22 WeakPolarHBondContact OD1-CB 3.24Å; N20-W22 PolarHBondContact OD1-N 2.91Å; W22-D24 PolarHBondContact O-N 3.42Å; W22-W159 AromaticContact CE2-CE2 4Å; W22-W159 AromaticContact CE2-NE1 3.66Å; W22-W159 HydrophobicContact CH2-CZ2 4.3Å; W22-W159 AromaticContact CH2-NE1 3.33Å; W22-W159 VanDerWaalsContact CH2-NE1 3.33Å; W22-W159 AromaticContact CZ2-CD1 3.46Å; W22-W159 VanDerWaalsContact CZ2-CD1 3.46Å; W22-W159 AromaticContact CZ2-CE2 3.72Å; W22-W159 HydrophobicContact CZ2-CG 4.39Å; W22-W159 HydrophobicContact CZ2-CZ2 4.29Å; W22-W159 AromaticContact CZ2-NE1 2.96Å; W22-W159 HydrophobicContact CZ3-CZ2 4.48Å; W22-W159 PolarHBondContact NE1-O 3.14Å; W22-Y161 AromaticContact CD1-CE1 3.83Å; W22-M165 HydrophobicContact CD2-CE 4.24Å; W22-M165 VanDerWaalsContact CE2-CE 3.46Å; W22-M165 HydrophobicContact CG-CE 4.32Å; W22-M165 HydrophobicContact CZ2-CE 3.85Å; W22-D205 HydrophobicContact CH2-CB 4Å; W22-D205 WeakPolarHBondContact CH2-OD1 3.42Å; W22-F207 HydrophobicContact CB-CZ 4.49Å; W22-F207 HydrophobicContact CD2-CE2 4.14Å; W22-F207 AromaticContact CD2-CZ 3.69Å; W22-F207 HydrophobicContact CD2-CZ 3.69Å; W22-F207 AromaticContact CE3-CE2 3.66Å; W22-F207 HydrophobicContact CE3-CE2 3.66Å; W22-F207 AromaticContact CE3-CZ 3.69Å; W22-F207 HydrophobicContact CE3-CZ 3.69Å; W22-F207 HydrophobicContact CG-CZ 4.05Å; W22-F207 HydrophobicContact CH2-CE2 4.25Å; W22-F207 AromaticContact CZ3-CE2 3.74Å; W22-F207 HydrophobicContact CZ3-CE2 3.74Å; W22-F207 HydrophobicContact CZ3-CZ 4.15Å
23M97.7Very high97.4Very high4 Ų455.8 Ų55.82%0.0231%0.312CS..  trans-59.2102.4177.4-82.3171.2172.200111.1I15 Y17 K18 I19 N20 D61 K248 S249I15-M23 HydrophobicContact CG2-CB 4.33Å; Y17-M23 HydrophobicContact CE2-CE 4.26Å; K18-M23 HydrophobicContact CB-CB 4.45Å; K18-M23 WeakPolarHBondContact CD-O 3.23Å; K18-M23 WeakPolarHBondContact CE-O 3.48Å; K18-M23 HydrophobicContact CG-CB 4.06Å; K18-M23 PolarHBondContact NZ-O 3.33Å; I19-M23 HydrophobicContact CD1-CE 4.27Å; I19-M23 HydrophobicContact CG1-CE 3.73Å; I19-M23 HydrophobicContact CG1-SD 3.6Å; I19-M23 PolarHBondContact N-SD 3.02Å; N20-M23 WeakPolarHBondContact OD1-CG 3.18Å; N20-M23 PolarHBondContact OD1-N 3.28Å; M23-D61 WeakPolarHBondContact CE-OD2 3.35Å; M23-K248 WeakPolarHBondContact CA-O 3.45Å; M23-S249 WeakPolarHBondContact CE-OG 3.04Å
24D94Very high97.4Very high119 Ų11962.4 Ų62.464%0.63634%0.337SS*.  trans-159157.3177.4-162.917.6000112.9I15 W22 K248I15-D24 WeakPolarHBondContact CD1-O 3.46Å; W22-D24 PolarHBondContact O-N 3.42Å; D24-K248 PolarHBondContact N-O 2.93Å
25G94.1Very high97.4Very high48 Ų4857.8 Ų57.850%0.49532%0.317SS..SBendtrans79.9-165.2176.100000115.1
26V97.3Very high97.5Very high125 Ų12556.1 Ų56.176%0.75831%0.308SS*.  trans-119.5129.9-177.3-177.90000109.1K248V26-K248 PolarHBondContact O-NZ 3.32Å
27V98.2Very high97.6Very high22 Ų2257.5 Ų57.513%0.13331%0.306CS..  trans-78.9127.8176173.60000109.8F13 I15 A32 E245F13-V27 HydrophobicContact CD1-CG1 3.65Å; F13-V27 HydrophobicContact CD1-CG2 4.36Å; F13-V27 HydrophobicContact CE1-CB 4.47Å; F13-V27 HydrophobicContact CE1-CG1 3.75Å; F13-V27 HydrophobicContact CE1-CG2 3.83Å; F13-V27 HydrophobicContact CZ-CG2 4.08Å; I15-V27 HydrophobicContact CD1-CG2 4.21Å; I15-V27 HydrophobicContact CG1-CG2 4.1Å; V27-A32 HydrophobicContact CG1-CB 4.07Å; V27-E245 WeakPolarHBondContact CA-OE2 3.44Å; V27-E245 HydrophobicContact CG1-CB 4.41Å
28D98.5Very high97.7Very high74 Ų7459 Ų5940%0.39632%0.315SS..  trans-84.2108.7165-178.1-38.7000108.6N30 V31 A32 E245D28-N30 VanDerWaalsContact C-N 3.26Å; D28-N30 PolarHBondContact O-N 3.09Å; D28-N30 WeakPolarHBondContact OD1-CA 3.39Å; D28-N30 WeakPolarHBondContact OD1-CB 3.36Å; D28-N30 PolarHBondContact OD1-N 3.41Å; D28-V31 HydrophobicContact CB-CB 3.99Å; D28-V31 HydrophobicContact CB-CG2 3.74Å; D28-V31 PolarHBondContact O-N 3.32Å; D28-V31 PolarHBondContact OD1-N 3.49Å; D28-V31 WeakPolarHBondContact OD2-CG2 2.85Å; D28-A32 WeakPolarHBondContact O-CB 3.3Å; D28-A32 PolarHBondContact O-N 3Å; D28-E245 PolarHBondContact N-OE2 3.43Å
29S98.2Very high97.8Very high71 Ų7152.6 Ų52.650%0.49729%0.287SS..Hα-helixtrans-62.7-30.4-176.357.40000113.6M33S29-M33 WeakPolarHBondContact O-CB 3.4Å; S29-M33 PolarHBondContact O-N 3.32Å
30N98.6Very high97.9Very high110 Ų11054 Ų5459%0.58829%0.292SS*.Hα-helixtrans-74.1-39.9177.4-67.2-48.3000110.8D28 R34D28-N30 VanDerWaalsContact C-N 3.26Å; D28-N30 PolarHBondContact O-N 3.09Å; D28-N30 WeakPolarHBondContact OD1-CA 3.39Å; D28-N30 WeakPolarHBondContact OD1-CB 3.36Å; D28-N30 PolarHBondContact OD1-N 3.41Å; N30-R34 VanDerWaalsContact C-NH1 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.39Å; N30-R34 PolarHBondContact O-N 3.03Å; N30-R34 VanDerWaalsContact O-N 3.15Å; N30-R34 PolarHBondContact O-NH1 3.01Å; N30-R34 VanDerWaalsContact O-NH1 3.1Å
31V98.7Very high97.9Very high28 Ų2859.5 Ų59.517%0.1732%0.316CS..Hα-helixtrans-65.6-46.6174.6-177.80000109.9D28 M33 R34 Q35 E245D28-V31 HydrophobicContact CB-CB 3.99Å; D28-V31 HydrophobicContact CB-CG2 3.74Å; D28-V31 PolarHBondContact O-N 3.32Å; D28-V31 PolarHBondContact OD1-N 3.49Å; D28-V31 WeakPolarHBondContact OD2-CG2 2.85Å; V31-M33 VanDerWaalsContact C-N 3.34Å; V31-M33 PolarHBondContact O-N 2.81Å; V31-R34 PolarHBondContact O-N 3.39Å; V31-R34 VanDerWaalsContact O-N 3.1Å; V31-Q35 HydrophobicContact CG1-CG 4.3Å; V31-Q35 WeakPolarHBondContact O-CG 3.26Å; V31-Q35 PolarHBondContact O-N 2.91Å; V31-E245 HydrophobicContact CB-CG 3.64Å; V31-E245 HydrophobicContact CG1-CG 3.47Å; V31-E245 VanDerWaalsContact CG1-CG 3.47Å
32A98.8Very high98Very high1 Ų159.7 Ų59.71%0.00831%0.312CS..Hα-helixtrans-59.3-43.5179.300000112F13 V27 D28 R34 Q35 W36 E245 F246F13-A32 HydrophobicContact CD1-CB 4.02Å; V27-A32 HydrophobicContact CG1-CB 4.07Å; D28-A32 WeakPolarHBondContact O-CB 3.3Å; D28-A32 PolarHBondContact O-N 3Å; A32-R34 PolarHBondContact O-N 3.41Å; A32-Q35 PolarHBondContact O-N 2.84Å; A32-W36 WeakPolarHBondContact O-CB 3.32Å; A32-W36 PolarHBondContact O-N 2.84Å; A32-E245 HydrophobicContact CB-CB 3.81Å; A32-E245 HydrophobicContact CB-CG 4.17Å; A32-F246 HydrophobicContact CB-CZ 4.3Å
33M98.8Very high98.1Very high51 Ų5157.7 Ų57.725%0.25131%0.305SS..Hα-helixtrans-62.5-41.2175.5-175.960.371.700112.2P10 S29 V31 W36 L37P10-M33 HydrophobicContact CG-CB 4.39Å; P10-M33 HydrophobicContact CG-CE 3.91Å; P10-M33 HydrophobicContact CG-SD 4.03Å; S29-M33 WeakPolarHBondContact O-CB 3.4Å; S29-M33 PolarHBondContact O-N 3.32Å; V31-M33 VanDerWaalsContact C-N 3.34Å; V31-M33 PolarHBondContact O-N 2.81Å; M33-W36 PolarHBondContact O-N 3.46Å; M33-L37 HydrophobicContact CG-CD1 4.02Å; M33-L37 HydrophobicContact CG-CG 4.5Å; M33-L37 WeakPolarHBondContact O-CB 3.37Å; M33-L37 VanDerWaalsContact O-CG 3.26Å; M33-L37 WeakPolarHBondContact O-CG 3.41Å; M33-L37 PolarHBondContact O-N 3.39Å; M33-L37 HydrophobicContact SD-CD1 4.31Å; M33-L37 HydrophobicContact SD-CG 4.28Å
34R98.8Very high98.1Very high149 Ų14961.6 Ų61.656%0.56232%0.323SS*.Hα-helixtrans-64-47.2176.5-73.9-170.2-53.9-85.66112N30 V31 A32 W36 L37 E38N30-R34 VanDerWaalsContact C-NH1 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.39Å; N30-R34 PolarHBondContact O-N 3.03Å; N30-R34 VanDerWaalsContact O-N 3.15Å; N30-R34 PolarHBondContact O-NH1 3.01Å; N30-R34 VanDerWaalsContact O-NH1 3.1Å; V31-R34 PolarHBondContact O-N 3.39Å; V31-R34 VanDerWaalsContact O-N 3.1Å; A32-R34 PolarHBondContact O-N 3.41Å; R34-W36 VanDerWaalsContact C-N 3.32Å; R34-W36 PolarHBondContact O-N 2.62Å; R34-L37 PolarHBondContact O-N 2.94Å; R34-E38 WeakPolarHBondContact O-CB 3.38Å; R34-E38 PolarHBondContact O-N 3.35Å
35Q98.9Very high98.3Very high11 Ų1161.4 Ų61.45%0.05132%0.322CS..Hα-helixtrans-60.2-42.6177.9-71.5178.2-17.700111.6V31 A32 E38 L39 E242 S244 F246V31-Q35 HydrophobicContact CG1-CG 4.3Å; V31-Q35 WeakPolarHBondContact O-CG 3.26Å; V31-Q35 PolarHBondContact O-N 2.91Å; A32-Q35 PolarHBondContact O-N 2.84Å; Q35-E38 PolarHBondContact O-N 2.98Å; Q35-L39 PolarHBondContact O-N 2.87Å; Q35-E242 WeakPolarHBondContact CB-O 3.44Å; Q35-E242 VanDerWaalsContact CD-O 3.32Å; Q35-E242 HydrophobicContact CG-CB 4.17Å; Q35-E242 WeakPolarHBondContact CG-O 3.39Å; Q35-S244 PolarHBondContact NE2-OG 3.13Å; Q35-F246 HydrophobicContact CB-CD2 4.36Å; Q35-F246 HydrophobicContact CB-CE2 3.89Å
36W98.9Very high98.4Very high11 Ų1160.9 Ų60.94%0.04231%0.31CS..Hα-helixtrans-63.2-45.9175.8-173.795.3000112.8M7 C8 P9 P10 A32 M33 R34 E38 L39 K40 T52 F246M7-W36 HydrophobicContact CB-CZ2 3.77Å; M7-W36 HydrophobicContact CE-CD2 4.3Å; M7-W36 HydrophobicContact CE-CG 4.39Å; M7-W36 HydrophobicContact CE-CZ2 4.24Å; C8-W36 PolarHBondContact O-NE1 3.1Å; P9-W36 HydrophobicContact CB-CH2 4.42Å; P9-W36 HydrophobicContact CB-CZ2 4.28Å; P9-W36 HydrophobicContact CG-CH2 3.95Å; P9-W36 HydrophobicContact CG-CZ2 3.89Å; P10-W36 HydrophobicContact CG-CB 3.81Å; P10-W36 HydrophobicContact CG-CG 4Å; A32-W36 WeakPolarHBondContact O-CB 3.32Å; A32-W36 PolarHBondContact O-N 2.84Å; M33-W36 PolarHBondContact O-N 3.46Å; R34-W36 VanDerWaalsContact C-N 3.32Å; R34-W36 PolarHBondContact O-N 2.62Å; W36-E38 VanDerWaalsContact C-N 3.29Å; W36-E38 PolarHBondContact O-N 3.38Å; W36-L39 PolarHBondContact O-N 3.45Å; W36-K40 HydrophobicContact CH2-CD 3.7Å; W36-K40 HydrophobicContact CZ3-CB 4.41Å; W36-K40 HydrophobicContact CZ3-CD 3.67Å; W36-K40 WeakPolarHBondContact O-CB 3.23Å; W36-K40 PolarHBondContact O-N 3.48Å; W36-T52 HydrophobicContact CH2-CG2 3.98Å; W36-T52 HydrophobicContact CZ2-CG2 4.22Å; W36-F246 HydrophobicContact CB-CE2 4.3Å; W36-F246 HydrophobicContact CB-CZ 3.97Å
37L98.8Very high98.3Very high90 Ų9057.9 Ų57.947%0.47131%0.305SS..Hα-helixtrans-64.2-36177.9-75.5169.5000111.9M33 R34 K41M33-L37 HydrophobicContact CG-CD1 4.02Å; M33-L37 HydrophobicContact CG-CG 4.5Å; M33-L37 WeakPolarHBondContact O-CB 3.37Å; M33-L37 VanDerWaalsContact O-CG 3.26Å; M33-L37 WeakPolarHBondContact O-CG 3.41Å; M33-L37 PolarHBondContact O-N 3.39Å; M33-L37 HydrophobicContact SD-CD1 4.31Å; M33-L37 HydrophobicContact SD-CG 4.28Å; R34-L37 PolarHBondContact O-N 2.94Å; L37-K41 WeakPolarHBondContact O-CB 3.48Å; L37-K41 PolarHBondContact O-N 3.27Å
38E98.7Very high98.3Very high77 Ų7757.3 Ų57.336%0.3630%0.301SS..Hα-helixtrans-66-49.5175.9179.6170.8-11400111.5R34 Q35 W36 K40 K41 F42 V241R34-E38 WeakPolarHBondContact O-CB 3.38Å; R34-E38 PolarHBondContact O-N 3.35Å; Q35-E38 PolarHBondContact O-N 2.98Å; W36-E38 VanDerWaalsContact C-N 3.29Å; W36-E38 PolarHBondContact O-N 3.38Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.2Å; E38-K41 WeakPolarHBondContact O-CB 3.39Å; E38-K41 PolarHBondContact O-N 2.94Å; E38-K41 VanDerWaalsContact O-N 3.14Å; E38-F42 HydrophobicContact CG-CD2 3.72Å; E38-F42 HydrophobicContact CG-CE2 3.24Å; E38-F42 HydrophobicContact CG-CZ 4.03Å; E38-F42 VanDerWaalsContact O-CD2 3.23Å; E38-F42 WeakPolarHBondContact O-CD2 3.17Å; E38-F42 PolarHBondContact O-N 2.91Å; E38-V241 HydrophobicContact CG-CG1 4.2Å
39L98.8Very high98.3Very high0 Ų058.1 Ų58.10%030%0.302CS..Hα-helixtrans-56-48.5173.7174.359.4000111.6M7 Q35 W36 K41 F42 L43 I219 V241 M243 V253 L256 I257M7-L39 HydrophobicContact CE-CB 4.49Å; M7-L39 HydrophobicContact CE-CD2 3.84Å; M7-L39 HydrophobicContact CE-CG 4.05Å; Q35-L39 PolarHBondContact O-N 2.87Å; W36-L39 PolarHBondContact O-N 3.45Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.12Å; L39-F42 PolarHBondContact O-N 2.83Å; L39-L43 HydrophobicContact CD1-CD1 4.03Å; L39-L43 HydrophobicContact CD1-CG 4.22Å; L39-L43 HydrophobicContact CG-CD1 3.92Å; L39-L43 WeakPolarHBondContact O-CG 3.26Å; L39-L43 PolarHBondContact O-N 2.81Å; L39-I219 HydrophobicContact CD1-CG2 3.94Å; L39-V241 HydrophobicContact CB-CG1 4.33Å; L39-M243 HydrophobicContact CB-CE 3.84Å; L39-M243 HydrophobicContact CD1-CE 4.21Å; L39-M243 HydrophobicContact CD2-CE 3.7Å; L39-M243 HydrophobicContact CG-CE 4.1Å; L39-V253 HydrophobicContact CD1-CG1 3.83Å; L39-L256 HydrophobicContact CD2-CB 3.77Å; L39-L256 HydrophobicContact CD2-CD2 3.86Å; L39-L256 HydrophobicContact CD2-CG 4.47Å; L39-I257 HydrophobicContact CD2-CG2 4.29Å
40K98.8Very high98.4Very high46 Ų4655.6 Ų55.620%0.228%0.283CS..Hα-helixtrans-53.9-48176.1170.9171.6-176.1-63.80111.2M7 W36 E38 F42 L43 E44 V50M7-K40 HydrophobicContact CE-CB 4.32Å; M7-K40 HydrophobicContact SD-CB 4.22Å; W36-K40 HydrophobicContact CH2-CD 3.7Å; W36-K40 HydrophobicContact CZ3-CB 4.41Å; W36-K40 HydrophobicContact CZ3-CD 3.67Å; W36-K40 WeakPolarHBondContact O-CB 3.23Å; W36-K40 PolarHBondContact O-N 3.48Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.2Å; K40-F42 VanDerWaalsContact C-N 3.35Å; K40-F42 PolarHBondContact O-N 3Å; K40-L43 WeakPolarHBondContact O-CB 3.42Å; K40-L43 PolarHBondContact O-N 3.27Å; K40-E44 WeakPolarHBondContact CE-OE1 3.49Å; K40-E44 IonicContact NZ-OE1 2.68Å; K40-E44 PolarHBondContact NZ-OE1 3.36Å; K40-E44 IonicContact NZ-OE2 2.82Å; K40-E44 PolarHBondContact NZ-OE2 3.41Å; K40-E44 WeakPolarHBondContact O-CG 3.47Å; K40-E44 PolarHBondContact O-N 3.03Å; K40-V50 HydrophobicContact CD-CG1 4.08Å; K40-V50 HydrophobicContact CG-CB 4.18Å; K40-V50 HydrophobicContact CG-CG1 3.96Å; K40-V50 HydrophobicContact CG-CG2 4.2Å
41K98.5Very high98.4Very high128 Ų12852.2 Ų52.256%0.55727%0.265SS*.Hα-helixtrans-62.6-40.6179.5-178.3-178.3177-174.10112L37 E38 L39 E44 N45L37-K41 WeakPolarHBondContact O-CB 3.48Å; L37-K41 PolarHBondContact O-N 3.27Å; E38-K41 WeakPolarHBondContact O-CB 3.39Å; E38-K41 PolarHBondContact O-N 2.94Å; E38-K41 VanDerWaalsContact O-N 3.14Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.12Å; K41-E44 PolarHBondContact O-N 3.15Å; K41-N45 WeakPolarHBondContact O-CB 3.45Å; K41-N45 PolarHBondContact O-N 3.38Å; K41-N45 PolarHBondContact O-ND2 2.99Å
42F98.3Very high98.4Very high47 Ų4754.2 Ų54.221%0.20628%0.278CS..Hα-helixtrans-65-41.9177.1-72.2-51.7000112.3E38 L39 K40 E44 N45 C46 I219 I239 V241E38-F42 HydrophobicContact CG-CD2 3.72Å; E38-F42 HydrophobicContact CG-CE2 3.24Å; E38-F42 HydrophobicContact CG-CZ 4.03Å; E38-F42 VanDerWaalsContact O-CD2 3.23Å; E38-F42 WeakPolarHBondContact O-CD2 3.17Å; E38-F42 PolarHBondContact O-N 2.91Å; L39-F42 PolarHBondContact O-N 2.83Å; K40-F42 VanDerWaalsContact C-N 3.35Å; K40-F42 PolarHBondContact O-N 3Å; F42-E44 PolarHBondContact O-N 2.8Å; F42-N45 PolarHBondContact O-N 2.92Å; F42-C46 PolarHBondContact O-N 3.18Å; F42-C46 PolarHBondContact O-SG 3.14Å; F42-C46 VanDerWaalsContact O-SG 3.33Å; F42-I219 HydrophobicContact CB-CD1 4.48Å; F42-I239 HydrophobicContact CB-CD1 4.41Å; F42-I239 HydrophobicContact CB-CG2 4.13Å; F42-I239 HydrophobicContact CD1-CD1 4.15Å; F42-I239 HydrophobicContact CD1-CG2 3.56Å; F42-I239 HydrophobicContact CD2-CG2 3.62Å; F42-I239 HydrophobicContact CE1-CG2 3.72Å; F42-I239 HydrophobicContact CE2-CG2 3.74Å; F42-I239 HydrophobicContact CG-CG2 3.52Å; F42-I239 HydrophobicContact CZ-CG2 3.81Å; F42-V241 HydrophobicContact CD2-CG1 4.34Å; F42-V241 HydrophobicContact CD2-CG2 3.58Å; F42-V241 HydrophobicContact CE2-CG1 4.37Å; F42-V241 HydrophobicContact CE2-CG2 3.83Å
43L98.4Very high98.4Very high0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-58.3-48173.2-69.4159.9000111.3V5 M7 L39 K40 N45 C46 G47 I48 V50 I212 I219 I257V5-L43 HydrophobicContact CG2-CD1 4.23Å; M7-L43 HydrophobicContact CE-CD1 4.43Å; M7-L43 HydrophobicContact SD-CD1 3.59Å; M7-L43 VanDerWaalsContact SD-CD1 3.59Å; L39-L43 HydrophobicContact CD1-CD1 4.03Å; L39-L43 HydrophobicContact CD1-CG 4.22Å; L39-L43 HydrophobicContact CG-CD1 3.92Å; L39-L43 WeakPolarHBondContact O-CG 3.26Å; L39-L43 PolarHBondContact O-N 2.81Å; K40-L43 WeakPolarHBondContact O-CB 3.42Å; K40-L43 PolarHBondContact O-N 3.27Å; L43-N45 VanDerWaalsContact C-N 3.33Å; L43-N45 PolarHBondContact O-N 3.44Å; L43-C46 CarbonylContact O-C 3.08Å; L43-C46 WeakPolarHBondContact O-CA 3.41Å; L43-C46 WeakPolarHBondContact O-CB 3.34Å; L43-C46 PolarHBondContact O-N 2.93Å; L43-C46 VanDerWaalsContact O-N 3.09Å; L43-G47 PolarHBondContact O-N 3.4Å; L43-I48 HydrophobicContact CB-CB 4.31Å; L43-I48 VanDerWaalsContact O-CB 3.31Å; L43-I48 WeakPolarHBondContact O-CB 3.29Å; L43-I48 PolarHBondContact O-N 2.96Å; L43-V50 HydrophobicContact CB-CG2 3.79Å; L43-V50 HydrophobicContact CD1-CG2 4.27Å; L43-I212 HydrophobicContact CD2-CD1 3.74Å; L43-I219 HydrophobicContact CD2-CD1 3.92Å; L43-I219 HydrophobicContact CG-CD1 4.28Å; L43-I257 HydrophobicContact CD1-CG2 3.84Å
44E98.3Very high98.4Very high86 Ų8659.2 Ų59.240%0.40230%0.301SS..Hα-helixtrans-61.8-39.1177.8-70.8175.2140.100112.3K40 K41 F42 C46 G47 I48 V50K40-E44 WeakPolarHBondContact CE-OE1 3.49Å; K40-E44 IonicContact NZ-OE1 2.68Å; K40-E44 PolarHBondContact NZ-OE1 3.36Å; K40-E44 IonicContact NZ-OE2 2.82Å; K40-E44 PolarHBondContact NZ-OE2 3.41Å; K40-E44 WeakPolarHBondContact O-CG 3.47Å; K40-E44 PolarHBondContact O-N 3.03Å; K41-E44 PolarHBondContact O-N 3.15Å; F42-E44 PolarHBondContact O-N 2.8Å; E44-C46 VanDerWaalsContact C-N 3.27Å; E44-C46 PolarHBondContact O-N 3.36Å; E44-G47 WeakPolarHBondContact O-CA 3.45Å; E44-G47 PolarHBondContact O-N 2.99Å; E44-I48 WeakPolarHBondContact CA-O 3.21Å; E44-V50 HydrophobicContact CG-CB 4.34Å; E44-V50 HydrophobicContact CG-CG2 3.85Å
45N97.2Very high98.3Very high114 Ų11453.1 Ų53.161%0.6128%0.28SS*.Hα-helixtrans-65.8-29.6174.9-71-18.5000112.8K41 F42 L43 G47K41-N45 WeakPolarHBondContact O-CB 3.45Å; K41-N45 PolarHBondContact O-N 3.38Å; K41-N45 PolarHBondContact O-ND2 2.99Å; F42-N45 PolarHBondContact O-N 2.92Å; L43-N45 VanDerWaalsContact C-N 3.33Å; L43-N45 PolarHBondContact O-N 3.44Å; N45-G47 PolarHBondContact O-N 2.95Å
46C96.5Very high98.3Very high38 Ų3854.7 Ų54.726%0.25729%0.287SS..THydrogen-bonded Turntrans-77.35.6170.9-66.10000113F42 L43 E44 I48 V214F42-C46 PolarHBondContact O-N 3.18Å; F42-C46 PolarHBondContact O-SG 3.14Å; F42-C46 VanDerWaalsContact O-SG 3.33Å; L43-C46 CarbonylContact O-C 3.08Å; L43-C46 WeakPolarHBondContact O-CA 3.41Å; L43-C46 WeakPolarHBondContact O-CB 3.34Å; L43-C46 PolarHBondContact O-N 2.93Å; L43-C46 VanDerWaalsContact O-N 3.09Å; E44-C46 VanDerWaalsContact C-N 3.27Å; E44-C46 PolarHBondContact O-N 3.36Å; C46-I48 HydrophobicContact CB-CG1 4.46Å; C46-V214 HydrophobicContact CB-CB 4.47Å; C46-V214 HydrophobicContact CB-CG1 3.96Å
47G96.5Very high98.3Very high62 Ų6257 Ų5764%0.63930%0.304SS*.THydrogen-bonded Turntrans79.115.3-18000000114.3L43 E44 N45L43-G47 PolarHBondContact O-N 3.4Å; E44-G47 WeakPolarHBondContact O-CA 3.45Å; E44-G47 PolarHBondContact O-N 2.99Å; N45-G47 PolarHBondContact O-N 2.95Å
48I98.2Very high98.2Very high9 Ų959.6 Ų59.65%0.04632%0.318CS..  trans-87.7128.5176.7-57-59.9000109.9F2 V5 L43 E44 C46 V50 V214F2-I48 HydrophobicContact CD2-CD1 4.21Å; F2-I48 HydrophobicContact CE2-CD1 4.23Å; V5-I48 HydrophobicContact CB-CG2 4.32Å; V5-I48 HydrophobicContact CG1-CG2 3.79Å; V5-I48 HydrophobicContact CG2-CG2 3.84Å; L43-I48 HydrophobicContact CB-CB 4.31Å; L43-I48 VanDerWaalsContact O-CB 3.31Å; L43-I48 WeakPolarHBondContact O-CB 3.29Å; L43-I48 PolarHBondContact O-N 2.96Å; E44-I48 WeakPolarHBondContact CA-O 3.21Å; C46-I48 HydrophobicContact CB-CG1 4.46Å; I48-V50 PolarHBondContact O-N 3.5Å; I48-V214 HydrophobicContact CD1-CG1 3.82Å; I48-V214 HydrophobicContact CG1-CG1 3.88Å; I48-V214 HydrophobicContact CG1-CG2 4.45Å
49E98.5Very high98.2Very high92 Ų9256.9 Ų56.943%0.4331%0.306SS..EExtended strand (participates in β ladder)trans-75.5117.8171.6-172.9-175.9167.600109.9S3 K4 V5 L51S3-E49 PolarHBondContact O-N 2.98Å; K4-E49 CarbonylContact C-O 3.48Å; K4-E49 VanDerWaalsContact CA-O 3.24Å; K4-E49 WeakPolarHBondContact CA-O 2.98Å; K4-E49 HydrophobicContact CB-CB 4.41Å; K4-E49 WeakPolarHBondContact CD-OE2 3.24Å; K4-E49 WeakPolarHBondContact CE-OE2 3.34Å; K4-E49 HydrophobicContact CG-CB 4.07Å; K4-E49 IonicContact NZ-OE1 3.64Å; K4-E49 PolarHBondContact NZ-OE1 3.07Å; K4-E49 IonicContact NZ-OE2 3.58Å; K4-E49 PolarHBondContact NZ-OE2 3.08Å; V5-E49 PolarHBondContact N-O 3.35Å; E49-L51 HydrophobicContact CG-CD2 4.32Å
50V98.8Very high98.1Very high17 Ų1757.1 Ų57.110%0.10331%0.307CS..EExtended strand (participates in β ladder)trans-94.8108.3177.8-179.80000109.7V5 M7 K40 L43 E44 I48V5-V50 HydrophobicContact CG2-CB 4.34Å; V5-V50 HydrophobicContact CG2-CG1 4.36Å; V5-V50 HydrophobicContact CG2-CG2 3.85Å; M7-V50 HydrophobicContact CB-CG1 4.19Å; M7-V50 HydrophobicContact CG-CG1 3.92Å; M7-V50 HydrophobicContact SD-CG1 3.52Å; M7-V50 VanDerWaalsContact SD-CG1 3.52Å; M7-V50 HydrophobicContact SD-CG2 4.38Å; K40-V50 HydrophobicContact CD-CG1 4.08Å; K40-V50 HydrophobicContact CG-CB 4.18Å; K40-V50 HydrophobicContact CG-CG1 3.96Å; K40-V50 HydrophobicContact CG-CG2 4.2Å; L43-V50 HydrophobicContact CB-CG2 3.79Å; L43-V50 HydrophobicContact CD1-CG2 4.27Å; E44-V50 HydrophobicContact CG-CB 4.34Å; E44-V50 HydrophobicContact CG-CG2 3.85Å; I48-V50 PolarHBondContact O-N 3.5Å
51L98.7Very high98.1Very high40 Ų4055 Ų5521%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-88154.7168.5-57.4179.2000110.2K4 V5 L6 M7 E49 W96 L260K4-L51 HydrophobicContact CD-CD1 4.36Å; V5-L51 PolarHBondContact O-N 3.22Å; L6-L51 WeakPolarHBondContact CA-O 3.37Å; L6-L51 HydrophobicContact CD1-CB 4.45Å; M7-L51 PolarHBondContact N-O 2.92Å; E49-L51 HydrophobicContact CG-CD2 4.32Å; L51-W96 HydrophobicContact CB-CH2 4.34Å; L51-W96 HydrophobicContact CB-CZ2 3.85Å; L51-W96 HydrophobicContact CD1-CH2 3.82Å; L51-W96 HydrophobicContact CD1-CZ2 3.91Å; L51-L260 HydrophobicContact CD1-CD1 3.84Å
52T98.8Very high98.1Very high69 Ų6949 Ų4942%0.42327%0.272SS..EExtended strand (participates in β ladder)trans-126.4145.9179.658.30000113M7 W36 W96M7-T52 VanDerWaalsContact O-CA 3.23Å; M7-T52 WeakPolarHBondContact O-CA 3.24Å; W36-T52 HydrophobicContact CH2-CG2 3.98Å; W36-T52 HydrophobicContact CZ2-CG2 4.22Å; T52-W96 PolarHBondContact O-NE1 3.4Å; T52-W96 VanDerWaalsContact O-NE1 3.13Å
53I98.8Very high98.2Very high9 Ų946.9 Ų46.95%0.04626%0.263CS..PPolyproline II helixtrans-102.1150.1164.8-174.5167.8000109.8L6 M7 C8 P9 M62 H92 F93 W96L6-I53 HydrophobicContact CD1-CB 4.03Å; L6-I53 HydrophobicContact CD1-CG2 4.21Å; M7-I53 PolarHBondContact O-N 2.97Å; M7-I53 VanDerWaalsContact O-N 3.1Å; C8-I53 HydrophobicContact CB-CG2 3.54Å; P9-I53 WeakPolarHBondContact CD-O 3.43Å; I53-M62 HydrophobicContact CD1-CE 3.82Å; I53-M62 HydrophobicContact CG1-CE 4.21Å; I53-M62 HydrophobicContact CG2-CE 4.44Å; I53-H92 HydrophobicContact CD1-CB 4.24Å; I53-F93 HydrophobicContact CD1-CD1 3.75Å; I53-F93 HydrophobicContact CD1-CE1 3.97Å; I53-F93 HydrophobicContact CD1-CG 4.29Å; I53-F93 HydrophobicContact CG2-CE1 4.02Å; I53-W96 HydrophobicContact CB-CG 4.27Å; I53-W96 HydrophobicContact CD1-CB 3.77Å; I53-W96 HydrophobicContact CD1-CG 4.08Å; I53-W96 HydrophobicContact CG1-CB 4.28Å; I53-W96 HydrophobicContact CG1-CG 4.18Å
54E98.5Very high98.2Very high149 Ų14947.2 Ų47.270%0.69627%0.265SS*.PPolyproline II helixtrans-70.4122.2175.2-173.2178.6-168.200110.9Q56E54-Q56 PolarHBondContact O-NE2 2.87Å
55P98.6Very high98.2Very high20 Ų2043.1 Ų43.113%0.1325%0.246CC..PPolyproline II helixtrans-70.1152.7178.932-36.2000111.2P9 N11 Y12P9-P55 HydrophobicContact CB-CG 4.34Å; P9-P55 WeakPolarHBondContact O-CB 3.42Å; N11-P55 HydrophobicContact CB-CG 3.93Å; Y12-P55 HydrophobicContact CD2-CB 3.91Å; Y12-P55 HydrophobicContact CD2-CG 4.19Å; Y12-P55 HydrophobicContact CE2-CB 4.37Å; Y12-P55 HydrophobicContact CE2-CG 4.21Å; Y12-P55 WeakPolarHBondContact CE2-O 3.38Å
56Q98.6Very high98.3Very high45 Ų4538 Ų3821%0.2122%0.218CC..  trans-116.6136-176.9-55.3-62-50.700111.9Y12 E54 D58 L59 M62 H92Y12-Q56 WeakPolarHBondContact CD2-O 3.48Å; E54-Q56 PolarHBondContact O-NE2 2.87Å; Q56-D58 VanDerWaalsContact C-N 3.27Å; Q56-D58 PolarHBondContact O-N 3.1Å; Q56-L59 HydrophobicContact CB-CB 4.16Å; Q56-L59 HydrophobicContact CB-CD1 4.07Å; Q56-L59 HydrophobicContact CB-CG 4.31Å; Q56-L59 HydrophobicContact CG-CD1 4.32Å; Q56-L59 PolarHBondContact O-N 2.92Å; Q56-L59 VanDerWaalsContact O-N 3.16Å; Q56-M62 HydrophobicContact CB-SD 3.75Å; Q56-M62 HydrophobicContact CG-CE 4.17Å; Q56-M62 HydrophobicContact CG-SD 3.42Å; Q56-M62 WeakPolarHBondContact CG-SD 3.3Å; Q56-H92 PolarHBondContact OE1-CE1 3.41Å; Q56-H92 VanDerWaalsContact OE1-CE1 3.31Å
57P97.4Very high98.4Very high59 Ų5936.3 Ų36.338%0.38321%0.207SC..THydrogen-bonded Turntrans-56.4-35.1-174.5-26.632.6000115.9Y12Y12-P57 HydrophobicContact CD1-CB 4.2Å; Y12-P57 HydrophobicContact CD1-CG 4.42Å; Y12-P57 HydrophobicContact CD2-CG 4.3Å; Y12-P57 HydrophobicContact CE1-CB 4.17Å; Y12-P57 HydrophobicContact CE1-CG 3.97Å; Y12-P57 HydrophobicContact CE2-CG 3.85Å; Y12-P57 HydrophobicContact CG-CB 4.39Å
58D97.3Very high98.5Very high145 Ų14533.4 Ų33.478%0.77518%0.177SC*.THydrogen-bonded Turntrans-96.70.7-174.9-62-41.8000113.1Q56 P60Q56-D58 VanDerWaalsContact C-N 3.27Å; Q56-D58 PolarHBondContact O-N 3.1Å; D58-P60 WeakPolarHBondContact O-CD 3.32Å
59L98.3Very high98.5Very high20 Ų2033 Ų3311%0.10518%0.175CC..  trans-124.971.1-177.9-56.8171.9000110.4Q56 D61 M62 E89Q56-L59 HydrophobicContact CB-CB 4.16Å; Q56-L59 HydrophobicContact CB-CD1 4.07Å; Q56-L59 HydrophobicContact CB-CG 4.31Å; Q56-L59 HydrophobicContact CG-CD1 4.32Å; Q56-L59 PolarHBondContact O-N 2.92Å; Q56-L59 VanDerWaalsContact O-N 3.16Å; L59-D61 PolarHBondContact O-N 2.87Å; L59-M62 HydrophobicContact CB-CG 3.73Å; L59-M62 HydrophobicContact CB-SD 3.85Å; L59-M62 HydrophobicContact CD1-CG 4.44Å; L59-M62 HydrophobicContact CD1-SD 3.86Å; L59-M62 WeakPolarHBondContact O-CG 3.39Å; L59-M62 PolarHBondContact O-N 3.29Å; L59-E89 HydrophobicContact CB-CG 4.21Å; L59-E89 HydrophobicContact CD1-CG 4.27Å; L59-E89 HydrophobicContact CD2-CG 4.3Å
60P98.2Very high98.5Very high4 Ų429 Ų293%0.02616%0.156CC..G310 helixtrans-62.7-27.6-172.526.4-36000113.5Y12 K14 A16 Y17 D58 M62Y12-P60 WeakPolarHBondContact O-CB 3.36Å; K14-P60 HydrophobicContact CG-CB 4.03Å; K14-P60 WeakPolarHBondContact O-CB 3.47Å; A16-P60 HydrophobicContact CB-CG 4.1Å; Y17-P60 HydrophobicContact CE1-CG 3.94Å; D58-P60 WeakPolarHBondContact O-CD 3.32Å; P60-M62 VanDerWaalsContact C-N 3.29Å; P60-M62 PolarHBondContact O-N 2.88Å
61D98.5Very high98.5Very high3 Ų328.9 Ų28.92%0.01616%0.155CC..G310 helixtrans-83.11.5-177.2-77.2-0.5000113.6Y17 M23 L59 V63 F64 R86Y17-D61 WeakPolarHBondContact CE2-OD2 3.39Å; Y17-D61 PolarHBondContact OH-OD2 3.31Å; M23-D61 WeakPolarHBondContact CE-OD2 3.35Å; L59-D61 PolarHBondContact O-N 2.87Å; D61-V63 PolarHBondContact O-N 3.02Å; D61-V63 VanDerWaalsContact O-N 3.09Å; D61-F64 HydrophobicContact CB-CD2 4Å; D61-F64 HydrophobicContact CB-CE2 4.48Å; D61-F64 WeakPolarHBondContact O-CB 3.38Å; D61-F64 WeakPolarHBondContact O-CD2 3.46Å; D61-F64 PolarHBondContact O-N 2.88Å; D61-R86 HydrophobicContact CB-CG 4.29Å; D61-R86 PolarHBondContact O-NH2 3.42Å
62M98.6Very high98.4Very high1 Ų129.8 Ų29.81%0.00516%0.157CC..G310 helixtrans-58.5-23.2173.7-78.4-172.668.400113.1C8 I53 Q56 L59 P60 F64 A65 E89 H92 F93C8-M62 HydrophobicContact CB-CB 4.42Å; C8-M62 WeakPolarHBondContact CB-O 3.32Å; I53-M62 HydrophobicContact CD1-CE 3.82Å; I53-M62 HydrophobicContact CG1-CE 4.21Å; I53-M62 HydrophobicContact CG2-CE 4.44Å; Q56-M62 HydrophobicContact CB-SD 3.75Å; Q56-M62 HydrophobicContact CG-CE 4.17Å; Q56-M62 HydrophobicContact CG-SD 3.42Å; Q56-M62 WeakPolarHBondContact CG-SD 3.3Å; L59-M62 HydrophobicContact CB-CG 3.73Å; L59-M62 HydrophobicContact CB-SD 3.85Å; L59-M62 HydrophobicContact CD1-CG 4.44Å; L59-M62 HydrophobicContact CD1-SD 3.86Å; L59-M62 WeakPolarHBondContact O-CG 3.39Å; L59-M62 PolarHBondContact O-N 3.29Å; P60-M62 VanDerWaalsContact C-N 3.29Å; P60-M62 PolarHBondContact O-N 2.88Å; M62-F64 PolarHBondContact O-N 3.38Å; M62-F64 VanDerWaalsContact O-N 3.16Å; M62-A65 PolarHBondContact O-N 3.07Å; M62-E89 HydrophobicContact CG-CB 4.24Å; M62-E89 HydrophobicContact CG-CG 3.65Å; M62-H92 HydrophobicContact CE-CB 3.81Å; M62-H92 HydrophobicContact SD-CB 4.49Å; M62-F93 HydrophobicContact CE-CE2 4.35Å; M62-F93 HydrophobicContact CE-CZ 4.39Å; M62-F93 HydrophobicContact CG-CE2 4.42Å
63V98.8Very high98.2Very high3 Ų329.3 Ų29.32%0.01817%0.165CC..G310 helixtrans-53.6-29.6171.2-63.20000112.7P10 F13 D61 A65 F246 L256P10-V63 VanDerWaalsContact CA-CG1 3.47Å; P10-V63 HydrophobicContact CB-CG1 3.81Å; F13-V63 HydrophobicContact CB-CG1 3.88Å; F13-V63 HydrophobicContact CD2-CG1 4.44Å; F13-V63 HydrophobicContact CD2-CG2 3.55Å; F13-V63 HydrophobicContact CE2-CG2 3.95Å; F13-V63 HydrophobicContact CG-CG1 4.27Å; F13-V63 HydrophobicContact CG-CG2 4.08Å; D61-V63 PolarHBondContact O-N 3.02Å; D61-V63 VanDerWaalsContact O-N 3.09Å; V63-A65 PolarHBondContact O-N 3.45Å; V63-F246 HydrophobicContact CB-CE1 4.3Å; V63-F246 HydrophobicContact CG2-CD1 4.41Å; V63-F246 HydrophobicContact CG2-CE1 4.27Å; V63-L256 WeakPolarHBondContact O-CA 3.32Å
64F98.8Very high98.1Very high7 Ų737.2 Ų37.23%0.03120%0.199CC..  trans-85.659.2178-54.3-59.8000111.5F13 D61 M62 C66 N67 F246 C255 L256F13-F64 AromaticContact CE2-CE2 3.93Å; F13-F64 HydrophobicContact CE2-CE2 3.93Å; F13-F64 AromaticContact CE2-CZ 3.83Å; F13-F64 HydrophobicContact CE2-CZ 3.83Å; F13-F64 HydrophobicContact CZ-CZ 4.1Å; D61-F64 HydrophobicContact CB-CD2 4Å; D61-F64 HydrophobicContact CB-CE2 4.48Å; D61-F64 WeakPolarHBondContact O-CB 3.38Å; D61-F64 WeakPolarHBondContact O-CD2 3.46Å; D61-F64 PolarHBondContact O-N 2.88Å; M62-F64 PolarHBondContact O-N 3.38Å; M62-F64 VanDerWaalsContact O-N 3.16Å; F64-C66 PolarHBondContact O-N 2.81Å; F64-C66 VanDerWaalsContact O-N 3.12Å; F64-N67 WeakPolarHBondContact CB-ND2 3.41Å; F64-N67 PolarHBondContact O-N 2.64Å; F64-N67 VanDerWaalsContact O-N 3.09Å; F64-N67 PolarHBondContact O-ND2 3.26Å; F64-F246 HydrophobicContact CE1-CB 4.33Å; F64-F246 HydrophobicContact CE1-CD1 4.16Å; F64-F246 HydrophobicContact CZ-CD1 4.45Å; F64-C255 CarbonylContact C-O 3.57Å; F64-C255 WeakPolarHBondContact CA-O 3.39Å; F64-C255 HydrophobicContact CB-CB 4.42Å; F64-C255 HydrophobicContact CD1-CB 3.61Å; F64-C255 HydrophobicContact CE1-CB 4.34Å; F64-C255 HydrophobicContact CG-CB 4.39Å; F64-L256 HydrophobicContact CD1-CD1 3.89Å; F64-L256 HydrophobicContact CE1-CD1 3.84Å
65A98.8Very high98Very high0 Ų030.9 Ų30.90%017%0.171CC..G310 helixtrans-57.7-25.3-174.300000113.5M62 V63 N67 A68 F93 C255 L258M62-A65 PolarHBondContact O-N 3.07Å; V63-A65 PolarHBondContact O-N 3.45Å; A65-N67 PolarHBondContact O-N 2.99Å; A65-N67 VanDerWaalsContact O-N 3.08Å; A65-A68 WeakPolarHBondContact O-CB 3.38Å; A65-A68 PolarHBondContact O-N 2.92Å; A65-F93 HydrophobicContact CB-CE1 4.27Å; A65-F93 HydrophobicContact CB-CZ 4.29Å; A65-C255 PolarHBondContact N-O 2.65Å; A65-L258 HydrophobicContact CB-CB 4.47Å
66C98.7Very high98Very high5 Ų529.9 Ų29.93%0.03417%0.165CC..G310 helixtrans-48.1-37.7173.5-172.60000112.5F64 A68 G115 Q254 C255 I257F64-C66 PolarHBondContact O-N 2.81Å; F64-C66 VanDerWaalsContact O-N 3.12Å; C66-A68 VanDerWaalsContact C-N 3.26Å; C66-A68 PolarHBondContact O-N 2.91Å; C66-G115 WeakPolarHBondContact O-CA 3.3Å; C66-G115 PolarHBondContact O-N 3.42Å; C66-G115 WeakPolarHBondContact SG-CA 3.38Å; C66-G115 PolarHBondContact SG-O 3.11Å; C66-Q254 VanDerWaalsContact CB-O 3.28Å; C66-Q254 WeakPolarHBondContact CB-O 3.23Å; C66-C255 WeakPolarHBondContact CB-O 2.76Å; C66-C255 PolarHBondContact N-O 3.17Å; C66-C255 VanDerWaalsContact N-O 3.11Å; C66-I257 WeakPolarHBondContact CA-O 3.21Å; C66-I257 WeakPolarHBondContact CB-O 3.43Å; C66-I257 PolarHBondContact N-O 3.1Å
67N98.7Very high98Very high3 Ų328 Ų282%0.01616%0.156CC..G310 helixtrans-82-2.1-174-52.9-48.3000113.6F64 A65 G69 A79 F81 R86 E113 G116F64-N67 WeakPolarHBondContact CB-ND2 3.41Å; F64-N67 PolarHBondContact O-N 2.64Å; F64-N67 VanDerWaalsContact O-N 3.09Å; F64-N67 PolarHBondContact O-ND2 3.26Å; A65-N67 PolarHBondContact O-N 2.99Å; A65-N67 VanDerWaalsContact O-N 3.08Å; N67-G69 PolarHBondContact O-N 2.89Å; N67-A79 WeakPolarHBondContact O-CB 3.34Å; N67-F81 HydrophobicContact CB-CE1 3.7Å; N67-F81 HydrophobicContact CB-CZ 3.94Å; N67-F81 VanDerWaalsContact O-CZ 3.28Å; N67-F81 WeakPolarHBondContact O-CZ 3.32Å; N67-R86 PolarHBondContact ND2-NH1 2.89Å; N67-E113 WeakPolarHBondContact CA-O 3.43Å; N67-E113 PolarHBondContact OD1-O 2.79Å; N67-G116 WeakPolarHBondContact OD1-CA 3.3Å; N67-G116 PolarHBondContact OD1-N 3.33Å
68A98.6Very high98Very high1 Ų125.3 Ų25.31%0.00814%0.138CC..G310 helixtrans-67.6-22.9-176.900000113.5A65 C66 A79 F93 F97 L258A65-A68 WeakPolarHBondContact O-CB 3.38Å; A65-A68 PolarHBondContact O-N 2.92Å; C66-A68 VanDerWaalsContact C-N 3.26Å; C66-A68 PolarHBondContact O-N 2.91Å; A68-A79 WeakPolarHBondContact O-CB 3.45Å; A68-A79 PolarHBondContact O-N 2.94Å; A68-F93 HydrophobicContact CB-CB 4.05Å; A68-F93 HydrophobicContact CB-CD1 3.45Å; A68-F93 VanDerWaalsContact CB-CD1 3.45Å; A68-F93 HydrophobicContact CB-CD2 3.56Å; A68-F93 HydrophobicContact CB-CE1 3.67Å; A68-F93 HydrophobicContact CB-CE2 3.77Å; A68-F93 HydrophobicContact CB-CG 3.41Å; A68-F93 VanDerWaalsContact CB-CG 3.41Å; A68-F93 HydrophobicContact CB-CZ 3.83Å; A68-F97 HydrophobicContact CB-CE2 4.41Å; A68-F97 HydrophobicContact CB-CZ 4.08Å; A68-L258 HydrophobicContact CB-CD2 4.4Å
69G98.3Very high98.1Very high0 Ų018.5 Ų18.50%010%0.102CC..EExtended strand (participates in β ladder)trans165-168.9179.400000112.5N67 Y77 G114 G115 L258N67-G69 PolarHBondContact O-N 2.89Å; G69-Y77 CarbonylContact C-O 3.52Å; G69-Y77 WeakPolarHBondContact CA-O 3.34Å; G69-G114 WeakPolarHBondContact O-CA 3.34Å; G69-G115 PolarHBondContact O-N 3.14Å; G69-L258 WeakPolarHBondContact O-CD1 3.44Å
70L98.5Very high98.1Very high9 Ų918.4 Ų18.45%0.04710%0.102CC..EExtended strand (participates in β ladder)trans-120.6121.8172.9-178.669.9000109.5V76 Y77 F112 A118 F120 L126 I142 L145L70-V76 CarbonylContact O-C 3.57Å; L70-V76 WeakPolarHBondContact O-CA 3.5Å; L70-Y77 PolarHBondContact N-O 3.11Å; L70-Y77 PolarHBondContact O-N 2.85Å; L70-F112 HydrophobicContact CB-CE1 4.04Å; L70-F112 HydrophobicContact CB-CZ 3.87Å; L70-A118 HydrophobicContact CD1-CB 3.96Å; L70-A118 HydrophobicContact CD2-CB 4.09Å; L70-A118 HydrophobicContact CG-CB 4.46Å; L70-F120 HydrophobicContact CD1-CD2 4.03Å; L70-F120 HydrophobicContact CD1-CE2 3.7Å; L70-F120 HydrophobicContact CD2-CE2 3.94Å; L70-F120 HydrophobicContact CD2-CZ 4.24Å; L70-F120 HydrophobicContact CG-CE2 3.9Å; L70-L126 HydrophobicContact CD1-CD1 4.25Å; L70-L126 HydrophobicContact CD2-CD1 3.85Å; L70-L126 HydrophobicContact CD2-CD2 3.81Å; L70-I142 HydrophobicContact CD2-CG2 3.6Å; L70-L145 HydrophobicContact CD2-CD1 4.45Å
71V98.1Very high98.1Very high14 Ų1418.3 Ų18.39%0.08510%0.101CC..EExtended strand (participates in β ladder)trans-93.1136177.7-179.10000110.1S75 V76 L102 L258 K259 L260V71-S75 WeakPolarHBondContact CA-O 3.43Å; V71-V76 HydrophobicContact CG2-CB 4.14Å; V71-V76 HydrophobicContact CG2-CG2 3.94Å; V71-L102 HydrophobicContact CG1-CD2 4.07Å; V71-L102 HydrophobicContact CG2-CD2 4.11Å; V71-L258 HydrophobicContact CG2-CD1 4.38Å; V71-L258 HydrophobicContact CG2-CD2 4.16Å; V71-L258 HydrophobicContact CG2-CG 4.28Å; V71-K259 WeakPolarHBondContact CB-O 3.14Å; V71-L260 HydrophobicContact CG2-CD2 4.05Å
72Y97.3Very high98.1Very high60 Ų6021.5 Ų21.524%0.23511%0.113CC..EExtended strand (participates in β ladder)trans-142.9114.1170.6-173.5-100.4000109.7K74 S75 F120 N123 L145 F148Y72-K74 PolarHBondContact O-N 2.57Å; Y72-S75 PolarHBondContact N-O 3.34Å; Y72-S75 PolarHBondContact O-N 3.48Å; Y72-S75 VanDerWaalsContact O-N 3.1Å; Y72-F120 AromaticContact CD2-CE1 3.94Å; Y72-F120 HydrophobicContact CD2-CE1 3.94Å; Y72-F120 AromaticContact CD2-CE2 3.95Å; Y72-F120 HydrophobicContact CD2-CE2 3.95Å; Y72-F120 AromaticContact CD2-CZ 3.49Å; Y72-F120 HydrophobicContact CD2-CZ 3.49Å; Y72-F120 VanDerWaalsContact CD2-CZ 3.49Å; Y72-F120 HydrophobicContact CE2-CE1 4.15Å; Y72-F120 HydrophobicContact CE2-CZ 4.16Å; Y72-F120 HydrophobicContact CG-CZ 4.24Å; Y72-N123 WeakPolarHBondContact CE2-O 3.28Å; Y72-N123 PolarHBondContact OH-O 3.49Å; Y72-L145 HydrophobicContact CD1-CB 4.46Å; Y72-L145 WeakPolarHBondContact CD1-O 3.47Å; Y72-F148 HydrophobicContact CD1-CD1 4.33Å; Y72-F148 HydrophobicContact CD1-CE1 4.09Å; Y72-F148 AromaticContact CD2-CD1 3.97Å; Y72-F148 HydrophobicContact CD2-CD1 3.97Å; Y72-F148 HydrophobicContact CD2-CE1 4.05Å; Y72-F148 HydrophobicContact CE1-CD1 4.1Å; Y72-F148 HydrophobicContact CE1-CE1 4.28Å; Y72-F148 AromaticContact CE2-CD1 3.71Å; Y72-F148 HydrophobicContact CE2-CD1 3.71Å; Y72-F148 HydrophobicContact CE2-CE1 4.24Å; Y72-F148 HydrophobicContact CG-CD1 4.27Å; Y72-F148 AromaticContact CG-CE1 3.96Å; Y72-F148 HydrophobicContact CG-CE1 3.96Å; Y72-F148 AromaticContact CZ-CD1 3.77Å
73G94.8Very high98Very high59 Ų5925.6 Ų25.661%0.60813%0.129SC*.THydrogen-bonded Turntrans62.6-120.5-174.900000111.8
74K96Very high98Very high174 Ų17432.7 Ų32.776%0.75716%0.16SC*.THydrogen-bonded Turntrans-100.316177.3-63.9-171.8177.8-176.30112.9Y72 L102 Q103Y72-K74 PolarHBondContact O-N 2.57Å; K74-L102 CarbonylContact O-C 3.59Å; K74-L102 WeakPolarHBondContact O-CA 3.49Å; K74-Q103 PolarHBondContact O-N 3.16Å
75S97.6Very high98Very high16 Ų1635.2 Ų35.211%0.11217%0.171CC..EExtended strand (participates in β ladder)trans-121.8149.6-174.2-58.90000110.3V71 Y72 Q103V71-S75 WeakPolarHBondContact CA-O 3.43Å; Y72-S75 PolarHBondContact N-O 3.34Å; Y72-S75 PolarHBondContact O-N 3.48Å; Y72-S75 VanDerWaalsContact O-N 3.1Å; S75-Q103 CarbonylContact C-O 3.56Å; S75-Q103 VanDerWaalsContact CA-O 3.26Å; S75-Q103 WeakPolarHBondContact CA-O 3.25Å
76V98.2Very high97.9Very high0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-130.6134.3172.559.50000109.5L70 V71 F97 L102 Q103 V104 F105L70-V76 CarbonylContact O-C 3.57Å; L70-V76 WeakPolarHBondContact O-CA 3.5Å; V71-V76 HydrophobicContact CG2-CB 4.14Å; V71-V76 HydrophobicContact CG2-CG2 3.94Å; V76-F97 HydrophobicContact CG1-CB 3.97Å; V76-F97 HydrophobicContact CG1-CD1 4.26Å; V76-F97 HydrophobicContact CG1-CD2 3.74Å; V76-F97 HydrophobicContact CG1-CE2 4.31Å; V76-F97 HydrophobicContact CG1-CG 3.75Å; V76-F97 HydrophobicContact CG2-CD2 4.19Å; V76-F97 HydrophobicContact CG2-CE1 4.4Å; V76-F97 HydrophobicContact CG2-CE2 3.89Å; V76-F97 HydrophobicContact CG2-CZ 4.03Å; V76-L102 HydrophobicContact CB-CD2 3.91Å; V76-L102 HydrophobicContact CG1-CB 4.15Å; V76-L102 HydrophobicContact CG1-CD2 4.1Å; V76-Q103 PolarHBondContact N-O 3.19Å; V76-V104 HydrophobicContact CG1-CB 4.25Å; V76-V104 HydrophobicContact CG1-CG1 4.32Å; V76-V104 HydrophobicContact CG1-CG2 3.83Å; V76-F105 PolarHBondContact O-N 3Å
77Y98.4Very high97.8Very high6 Ų640.4 Ų40.42%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-93.2112164.4-169.5-83.1000108.9G69 L70 F105 D107 F112 N141 I142G69-Y77 CarbonylContact C-O 3.52Å; G69-Y77 WeakPolarHBondContact CA-O 3.34Å; L70-Y77 PolarHBondContact N-O 3.11Å; L70-Y77 PolarHBondContact O-N 2.85Å; Y77-F105 CarbonylContact C-O 3.54Å; Y77-F105 WeakPolarHBondContact CA-O 3.16Å; Y77-F105 HydrophobicContact CD2-CB 4.05Å; Y77-D107 PolarHBondContact OH-OD1 3.16Å; Y77-D107 VanDerWaalsContact OH-OD1 3.07Å; Y77-D107 PolarHBondContact OH-OD2 3.1Å; Y77-F112 AromaticContact CD1-CD1 3.55Å; Y77-F112 HydrophobicContact CD1-CD1 3.55Å; Y77-F112 AromaticContact CD1-CE1 3.81Å; Y77-F112 HydrophobicContact CD1-CE1 3.81Å; Y77-F112 HydrophobicContact CD1-CG 4.48Å; Y77-F112 HydrophobicContact CE1-CB 4.44Å; Y77-F112 AromaticContact CE1-CD1 3.79Å; Y77-F112 HydrophobicContact CE1-CD1 3.79Å; Y77-F112 HydrophobicContact CE1-CE1 4.45Å; Y77-F112 HydrophobicContact CE1-CG 4.34Å; Y77-N141 HydrophobicContact CE2-CB 3.71Å; Y77-N141 WeakPolarHBondContact OH-CB 3.41Å; Y77-I142 HydrophobicContact CD1-CD1 4.14Å; Y77-I142 HydrophobicContact CD1-CG1 3.52Å; Y77-I142 HydrophobicContact CD2-CG1 3.9Å; Y77-I142 HydrophobicContact CE1-CD1 4.18Å; Y77-I142 HydrophobicContact CE1-CG1 3.67Å; Y77-I142 HydrophobicContact CE2-CG1 4.03Å; Y77-I142 HydrophobicContact CG-CG1 3.61Å
78L98.4Very high97.8Very high1 Ų140.9 Ų40.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-73.6139-172.3-171.268.7000111.4R90 F93 E94 F97 V104 F105L78-R90 HydrophobicContact CD2-CG 3.44Å; L78-R90 VanDerWaalsContact CD2-CG 3.44Å; L78-R90 HydrophobicContact CG-CG 3.91Å; L78-F93 HydrophobicContact CD1-CB 4.21Å; L78-E94 HydrophobicContact CD1-CB 4.4Å; L78-E94 HydrophobicContact CD2-CB 3.73Å; L78-E94 HydrophobicContact CD2-CG 4.15Å; L78-F97 HydrophobicContact CD1-CD2 3.95Å; L78-F97 HydrophobicContact CD1-CE2 3.74Å; L78-V104 HydrophobicContact CB-CG1 4.07Å; L78-V104 HydrophobicContact CD2-CG1 4.26Å; L78-F105 PolarHBondContact N-O 3.43Å
79A98.3Very high97.8Very high2 Ų240.9 Ų40.92%0.01720%0.196CC..  trans-6414617800000113.2N67 A68 F81 R90 F112N67-A79 WeakPolarHBondContact O-CB 3.34Å; A68-A79 WeakPolarHBondContact O-CB 3.45Å; A68-A79 PolarHBondContact O-N 2.94Å; A79-F81 HydrophobicContact CB-CD2 4.4Å; A79-F81 HydrophobicContact CB-CE2 4Å; A79-F81 HydrophobicContact CB-CZ 4.14Å; A79-R90 PolarHBondContact O-NH1 3.43Å; A79-F112 CarbonylContact C-O 3.58Å; A79-F112 VanDerWaalsContact CA-O 3.28Å; A79-F112 WeakPolarHBondContact CA-O 3.46Å; A79-F112 VanDerWaalsContact CB-O 3.3Å; A79-F112 WeakPolarHBondContact CB-O 3.22Å
80N98.2Very high97.7Very high19 Ų1942.1 Ų42.110%0.10220%0.201CC..BIsolated β-bridgetrans-121.892.1168.6-178.431.8000107.5T108 Y110 F111 F112N80-T108 WeakPolarHBondContact ND2-CA 3.09Å; N80-Y110 WeakPolarHBondContact CB-O 3.36Å; N80-Y110 PolarHBondContact ND2-O 3.37Å; N80-F111 VanDerWaalsContact O-CA 3.28Å; N80-F111 WeakPolarHBondContact O-CA 3.15Å; N80-F111 WeakPolarHBondContact O-CD1 3.12Å; N80-F112 CarbonylContact C-O 3.57Å; N80-F112 PolarHBondContact N-O 2.93Å; N80-F112 PolarHBondContact O-N 3.1Å
81F98.4Very high97.7Very high2 Ų249.7 Ų49.71%0.00923%0.229CC..  trans-64.5135.7-171.9-72-78.3000113.1N67 A79 R86 R87 E89 E113N67-F81 HydrophobicContact CB-CE1 3.7Å; N67-F81 HydrophobicContact CB-CZ 3.94Å; N67-F81 VanDerWaalsContact O-CZ 3.28Å; N67-F81 WeakPolarHBondContact O-CZ 3.32Å; A79-F81 HydrophobicContact CB-CD2 4.4Å; A79-F81 HydrophobicContact CB-CE2 4Å; A79-F81 HydrophobicContact CB-CZ 4.14Å; F81-R86 HydrophobicContact CB-CB 3.95Å; F81-R86 HydrophobicContact CD1-CB 3.8Å; F81-R86 HydrophobicContact CD2-CB 4.14Å; F81-R86 VanDerWaalsContact CD2-O 3.3Å; F81-R86 WeakPolarHBondContact CD2-O 3.46Å; F81-R86 HydrophobicContact CE1-CB 4.33Å; F81-R86 HydrophobicContact CG-CB 3.7Å; F81-R87 HydrophobicContact CB-CG 4.17Å; F81-R87 WeakPolarHBondContact O-CG 3.37Å; F81-R87 PolarHBondContact O-NE 3.49Å; F81-E89 HydrophobicContact CE2-CB 4.02Å; F81-E113 HydrophobicContact CD1-CB 4.49Å; F81-E113 HydrophobicContact CD1-CG 3.9Å; F81-E113 HydrophobicContact CE1-CG 4.42Å
82R98.1Very high97.7Very high69 Ų6952 Ų5226%0.2624%0.239SC..SBendtrans-64-46.5178.4-170.9169.7-137.685.46.7111.3R87 F111 E113 F132 R133R82-R87 PolarHBondContact O-NH2 3.02Å; R82-F111 VanDerWaalsContact CA-CD1 3.48Å; R82-F111 HydrophobicContact CB-CB 4.34Å; R82-F111 HydrophobicContact CB-CD1 4.27Å; R82-F111 HydrophobicContact CB-CG 4.12Å; R82-F111 HydrophobicContact CG-CD2 4.13Å; R82-F111 HydrophobicContact CG-CE2 4.34Å; R82-F111 HydrophobicContact CG-CG 4.25Å; R82-F111 VanDerWaalsContact NH1-CD2 3.29Å; R82-E113 VanDerWaalsContact CB-OE1 3.29Å; R82-E113 WeakPolarHBondContact CB-OE1 3.44Å; R82-E113 PolarHBondContact N-OE1 2.97Å; R82-F132 WeakPolarHBondContact CD-O 3.44Å; R82-F132 PolarHBondContact NE-O 2.88Å; R82-R133 PolarHBondContact NH1-O 3.45Å
83Y98.1Very high97.8Very high88 Ų8849.2 Ų49.235%0.34523%0.228SC..SBendtrans-86.7135.1-177.8-68.8-82.1000111.8I19 E85 R86 R87 R133I19-Y83 HydrophobicContact CB-CD1 3.95Å; I19-Y83 HydrophobicContact CB-CD2 4.19Å; I19-Y83 HydrophobicContact CB-CE1 4.2Å; I19-Y83 HydrophobicContact CB-CE2 4.43Å; I19-Y83 HydrophobicContact CB-CG 3.92Å; I19-Y83 HydrophobicContact CD1-CD2 4.31Å; I19-Y83 HydrophobicContact CD1-CG 4.25Å; I19-Y83 HydrophobicContact CG2-CD1 3.69Å; I19-Y83 HydrophobicContact CG2-CE1 4.26Å; I19-Y83 HydrophobicContact CG2-CG 3.89Å; Y83-E85 WeakPolarHBondContact CB-OE2 3.39Å; Y83-E85 PolarHBondContact O-N 3.45Å; Y83-R86 PolarHBondContact O-N 3.3Å; Y83-R87 WeakPolarHBondContact O-CG 3.08Å; Y83-R133 VanDerWaalsContact CD2-CZ 3.45Å; Y83-R133 VanDerWaalsContact CD2-NH1 3.26Å
84K97.7Very high98Very high152 Ų15248.4 Ų48.466%0.66121%0.208SC*.THydrogen-bonded Turntrans-62.8-29.6-174.363.1178.6-179.1-179.10112.7R86 R87K84-R86 PolarHBondContact O-N 3.29Å; K84-R87 PolarHBondContact O-N 3.15Å
85E98Very high98.1Very high59 Ų5946 Ų4628%0.27620%0.198SC..THydrogen-bonded Turntrans-60.5-31.3-178.1-6674.6-165.600111.9Y17 Y83Y17-E85 HydrophobicContact CD1-CB 3.94Å; Y17-E85 HydrophobicContact CD1-CG 3.81Å; Y17-E85 HydrophobicContact CD2-CB 4.07Å; Y17-E85 HydrophobicContact CD2-CG 4.02Å; Y17-E85 HydrophobicContact CE1-CB 3.64Å; Y17-E85 HydrophobicContact CE1-CG 4.07Å; Y17-E85 HydrophobicContact CE2-CB 3.79Å; Y17-E85 HydrophobicContact CE2-CG 4.26Å; Y17-E85 HydrophobicContact CG-CB 4.13Å; Y17-E85 HydrophobicContact CG-CG 3.77Å; Y83-E85 WeakPolarHBondContact CB-OE2 3.39Å; Y83-E85 PolarHBondContact O-N 3.45Å
86R98Very high98.2Very high8 Ų846.3 Ų46.33%0.0320%0.196CC..THydrogen-bonded Turntrans-101.3-11.6-178.7-62.2-162.864.8-1680.1114.2I19 D61 N67 F81 Y83 K84 G88 E89I19-R86 HydrophobicContact CD1-CG 4.1Å; D61-R86 HydrophobicContact CB-CG 4.29Å; D61-R86 PolarHBondContact O-NH2 3.42Å; N67-R86 PolarHBondContact ND2-NH1 2.89Å; F81-R86 HydrophobicContact CB-CB 3.95Å; F81-R86 HydrophobicContact CD1-CB 3.8Å; F81-R86 HydrophobicContact CD2-CB 4.14Å; F81-R86 VanDerWaalsContact CD2-O 3.3Å; F81-R86 WeakPolarHBondContact CD2-O 3.46Å; F81-R86 HydrophobicContact CE1-CB 4.33Å; F81-R86 HydrophobicContact CG-CB 3.7Å; Y83-R86 PolarHBondContact O-N 3.3Å; K84-R86 PolarHBondContact O-N 3.29Å; R86-G88 PolarHBondContact O-N 3.49Å; R86-E89 VanDerWaalsContact CB-OE1 3.31Å; R86-E89 WeakPolarHBondContact CB-OE1 3.03Å; R86-E89 VanDerWaalsContact CG-OE1 3.31Å; R86-E89 WeakPolarHBondContact CG-OE1 3.19Å; R86-E89 IonicContact CZ-OE1 3.88Å; R86-E89 IonicContact CZ-OE2 2.86Å; R86-E89 IonicContact NE-OE1 2.62Å; R86-E89 PolarHBondContact NE-OE1 2.88Å; R86-E89 IonicContact NE-OE2 3.55Å; R86-E89 IonicContact NH2-OE1 2.64Å; R86-E89 PolarHBondContact NH2-OE1 3.28Å; R86-E89 IonicContact NH2-OE2 3.51Å; R86-E89 PolarHBondContact NH2-OE2 3.39Å; R86-E89 VanDerWaalsContact O-CB 3.29Å; R86-E89 WeakPolarHBondContact O-CB 3.42Å; R86-E89 VanDerWaalsContact O-CG 3.25Å; R86-E89 WeakPolarHBondContact O-CG 3.5Å; R86-E89 PolarHBondContact O-N 2.94Å
87R97.2Very high98.2Very high106 Ų10646.3 Ų46.340%0.420%0.196SC..THydrogen-bonded Turntrans-59.2-25.6-178.3-70178.8-166.1165.43.3113F81 R82 Y83 K84 E89 R90F81-R87 HydrophobicContact CB-CG 4.17Å; F81-R87 WeakPolarHBondContact O-CG 3.37Å; F81-R87 PolarHBondContact O-NE 3.49Å; R82-R87 PolarHBondContact O-NH2 3.02Å; Y83-R87 WeakPolarHBondContact O-CG 3.08Å; K84-R87 PolarHBondContact O-N 3.15Å; R87-E89 VanDerWaalsContact C-N 3.26Å; R87-E89 PolarHBondContact O-N 3.19Å; R87-R90 WeakPolarHBondContact O-CB 3.4Å; R87-R90 PolarHBondContact O-N 3.33Å
88G97.4Very high98.2Very high14 Ų1451.6 Ų51.614%0.14422%0.22CC..THydrogen-bonded Turntrans-60.6-31.2174.800000115.2R86 R90 W91 H92R86-G88 PolarHBondContact O-N 3.49Å; G88-R90 PolarHBondContact O-N 3.49Å; G88-W91 VanDerWaalsContact O-CE3 3.23Å; G88-H92 PolarHBondContact O-CD2 2.88Å
89E98.5Very high98.2Very high0 Ų058 Ų580%025%0.249CC..Hα-helixtrans-62.3-32.5-177-59177.7-146.800112L59 M62 F81 R86 R87 W91 H92 F93L59-E89 HydrophobicContact CB-CG 4.21Å; L59-E89 HydrophobicContact CD1-CG 4.27Å; L59-E89 HydrophobicContact CD2-CG 4.3Å; M62-E89 HydrophobicContact CG-CB 4.24Å; M62-E89 HydrophobicContact CG-CG 3.65Å; F81-E89 HydrophobicContact CE2-CB 4.02Å; R86-E89 VanDerWaalsContact CB-OE1 3.31Å; R86-E89 WeakPolarHBondContact CB-OE1 3.03Å; R86-E89 VanDerWaalsContact CG-OE1 3.31Å; R86-E89 WeakPolarHBondContact CG-OE1 3.19Å; R86-E89 IonicContact CZ-OE1 3.88Å; R86-E89 IonicContact CZ-OE2 2.86Å; R86-E89 IonicContact NE-OE1 2.62Å; R86-E89 PolarHBondContact NE-OE1 2.88Å; R86-E89 IonicContact NE-OE2 3.55Å; R86-E89 IonicContact NH2-OE1 2.64Å; R86-E89 PolarHBondContact NH2-OE1 3.28Å; R86-E89 IonicContact NH2-OE2 3.51Å; R86-E89 PolarHBondContact NH2-OE2 3.39Å; R86-E89 VanDerWaalsContact O-CB 3.29Å; R86-E89 WeakPolarHBondContact O-CB 3.42Å; R86-E89 VanDerWaalsContact O-CG 3.25Å; R86-E89 WeakPolarHBondContact O-CG 3.5Å; R86-E89 PolarHBondContact O-N 2.94Å; R87-E89 VanDerWaalsContact C-N 3.26Å; R87-E89 PolarHBondContact O-N 3.19Å; E89-W91 VanDerWaalsContact C-N 3.28Å; E89-W91 PolarHBondContact O-N 3.35Å; E89-H92 PolarHBondContact O-N 3.17Å; E89-H92 VanDerWaalsContact O-N 3.09Å; E89-F93 HydrophobicContact CB-CD2 3.98Å; E89-F93 HydrophobicContact CB-CE2 3.97Å; E89-F93 WeakPolarHBondContact O-CD2 3.42Å; E89-F93 PolarHBondContact O-N 3.38Å; E89-F93 VanDerWaalsContact O-N 3.07Å
90R97.6Very high98.2Very high27 Ų2761.6 Ų61.610%0.10227%0.268CS..Hα-helixtrans-50.2-45.8-175.6-176.3179.8176.1114.5-16.3112.7L78 A79 R87 G88 E94 S106 D107L78-R90 HydrophobicContact CD2-CG 3.44Å; L78-R90 VanDerWaalsContact CD2-CG 3.44Å; L78-R90 HydrophobicContact CG-CG 3.91Å; A79-R90 PolarHBondContact O-NH1 3.43Å; R87-R90 WeakPolarHBondContact O-CB 3.4Å; R87-R90 PolarHBondContact O-N 3.33Å; G88-R90 PolarHBondContact O-N 3.49Å; R90-E94 VanDerWaalsContact O-CB 3.24Å; R90-E94 WeakPolarHBondContact O-CB 3.29Å; R90-E94 PolarHBondContact O-N 3.14Å; R90-S106 PolarHBondContact NH2-OG 3.24Å; R90-D107 PolarHBondContact NH1-O 3.47Å; R90-D107 VanDerWaalsContact NH1-O 3.12Å; R90-D107 PolarHBondContact NH2-O 3.19Å
91W97.7Very high98.1Very high168 Ų16863.6 Ų63.664%0.63629%0.293SS*.Hα-helixtrans-68.9-35.4-175.9-59.1-65.2000112.7G88 E89 K95G88-W91 VanDerWaalsContact O-CE3 3.23Å; E89-W91 VanDerWaalsContact C-N 3.28Å; E89-W91 PolarHBondContact O-N 3.35Å; W91-K95 WeakPolarHBondContact O-CB 3.34Å; W91-K95 PolarHBondContact O-N 3.08Å; W91-K95 VanDerWaalsContact O-N 3.11Å
92H98.7Very high98.1Very high62 Ų6264.7 Ų64.729%0.28730%0.299SS..Hα-helixtrans-71.7-45.1178.6-64.7-83.8000111I53 Q56 M62 G88 E89 K95 W96I53-H92 HydrophobicContact CD1-CB 4.24Å; Q56-H92 PolarHBondContact OE1-CE1 3.41Å; Q56-H92 VanDerWaalsContact OE1-CE1 3.31Å; M62-H92 HydrophobicContact CE-CB 3.81Å; M62-H92 HydrophobicContact SD-CB 4.49Å; G88-H92 PolarHBondContact O-CD2 2.88Å; E89-H92 PolarHBondContact O-N 3.17Å; E89-H92 VanDerWaalsContact O-N 3.09Å; H92-K95 PolarHBondContact O-N 3.04Å; H92-W96 WeakPolarHBondContact O-CB 3.37Å; H92-W96 PolarHBondContact O-N 2.92Å
93F98.7Very high98.1Very high1 Ų167 Ų670%0.00431%0.313CS..Hα-helixtrans-66-43.4175.9-75.9-65.5000112.2L6 I53 M62 A65 A68 L78 E89 K95 W96 F97L6-F93 HydrophobicContact CD2-CD1 4Å; L6-F93 HydrophobicContact CD2-CE1 3.94Å; I53-F93 HydrophobicContact CD1-CD1 3.75Å; I53-F93 HydrophobicContact CD1-CE1 3.97Å; I53-F93 HydrophobicContact CD1-CG 4.29Å; I53-F93 HydrophobicContact CG2-CE1 4.02Å; M62-F93 HydrophobicContact CE-CE2 4.35Å; M62-F93 HydrophobicContact CE-CZ 4.39Å; M62-F93 HydrophobicContact CG-CE2 4.42Å; A65-F93 HydrophobicContact CB-CE1 4.27Å; A65-F93 HydrophobicContact CB-CZ 4.29Å; A68-F93 HydrophobicContact CB-CB 4.05Å; A68-F93 HydrophobicContact CB-CD1 3.45Å; A68-F93 VanDerWaalsContact CB-CD1 3.45Å; A68-F93 HydrophobicContact CB-CD2 3.56Å; A68-F93 HydrophobicContact CB-CE1 3.67Å; A68-F93 HydrophobicContact CB-CE2 3.77Å; A68-F93 HydrophobicContact CB-CG 3.41Å; A68-F93 VanDerWaalsContact CB-CG 3.41Å; A68-F93 HydrophobicContact CB-CZ 3.83Å; L78-F93 HydrophobicContact CD1-CB 4.21Å; E89-F93 HydrophobicContact CB-CD2 3.98Å; E89-F93 HydrophobicContact CB-CE2 3.97Å; E89-F93 WeakPolarHBondContact O-CD2 3.42Å; E89-F93 PolarHBondContact O-N 3.38Å; E89-F93 VanDerWaalsContact O-N 3.07Å; F93-K95 VanDerWaalsContact C-N 3.32Å; F93-K95 PolarHBondContact O-N 3.2Å; F93-W96 PolarHBondContact O-N 3.16Å; F93-F97 HydrophobicContact CB-CD2 4.31Å; F93-F97 HydrophobicContact CB-CE2 3.77Å; F93-F97 HydrophobicContact CB-CZ 4.32Å; F93-F97 HydrophobicContact CD1-CZ 4.38Å; F93-F97 WeakPolarHBondContact O-CD2 3.3Å; F93-F97 VanDerWaalsContact O-CG 3.24Å; F93-F97 WeakPolarHBondContact O-CG 3.05Å; F93-F97 PolarHBondContact O-N 3.11Å
94E98.6Very high98.1Very high42 Ų4264.4 Ų64.420%0.19631%0.306CS..Hα-helixtrans-55.9-47175.2-178172.2-176.600112.1L78 R90 F97 K98 V104L78-E94 HydrophobicContact CD1-CB 4.4Å; L78-E94 HydrophobicContact CD2-CB 3.73Å; L78-E94 HydrophobicContact CD2-CG 4.15Å; R90-E94 VanDerWaalsContact O-CB 3.24Å; R90-E94 WeakPolarHBondContact O-CB 3.29Å; R90-E94 PolarHBondContact O-N 3.14Å; E94-F97 PolarHBondContact O-N 3.26Å; E94-K98 HydrophobicContact CG-CD 4.3Å; E94-K98 WeakPolarHBondContact O-CG 3.31Å; E94-K98 PolarHBondContact O-N 3.49Å; E94-K98 VanDerWaalsContact O-N 3.12Å; E94-K98 VanDerWaalsContact OE1-CE 3.3Å; E94-K98 WeakPolarHBondContact OE1-CE 3.25Å; E94-K98 IonicContact OE1-NZ 3.4Å; E94-K98 PolarHBondContact OE1-NZ 3.49Å; E94-V104 HydrophobicContact CG-CG1 4.26Å
95K98.6Very high98.1Very high125 Ų12560.3 Ų60.354%0.54329%0.289SS..Hα-helixtrans-59.1-50.9176.4179.7-177172-172.20110.7W91 H92 F93 F97 K98 E99W91-K95 WeakPolarHBondContact O-CB 3.34Å; W91-K95 PolarHBondContact O-N 3.08Å; W91-K95 VanDerWaalsContact O-N 3.11Å; H92-K95 PolarHBondContact O-N 3.04Å; F93-K95 VanDerWaalsContact C-N 3.32Å; F93-K95 PolarHBondContact O-N 3.2Å; K95-F97 VanDerWaalsContact C-N 3.34Å; K95-F97 PolarHBondContact O-N 3.12Å; K95-K98 PolarHBondContact O-N 3.11Å; K95-E99 WeakPolarHBondContact CE-OE1 3.38Å; K95-E99 HydrophobicContact CG-CG 4.43Å; K95-E99 IonicContact NZ-OE1 2.79Å; K95-E99 WeakPolarHBondContact O-CG 3.33Å; K95-E99 PolarHBondContact O-N 2.82Å
96W98.7Very high97.8Very high21 Ų2160.1 Ų60.18%0.0829%0.294CS..Hα-helixtrans-58.2-44.7-179.6-172.997.5000111.9L6 L51 T52 I53 H92 F93 K98 E99 N100 L260L6-W96 HydrophobicContact CB-CH2 4.3Å; L6-W96 HydrophobicContact CD1-CD2 4.09Å; L6-W96 HydrophobicContact CD1-CE3 4.5Å; L6-W96 HydrophobicContact CD1-CH2 4.01Å; L6-W96 HydrophobicContact CD1-CZ2 3.51Å; L6-W96 HydrophobicContact CD1-CZ3 4.46Å; L6-W96 HydrophobicContact CD2-CD2 3.86Å; L6-W96 HydrophobicContact CD2-CE3 3.67Å; L6-W96 HydrophobicContact CD2-CH2 4.23Å; L6-W96 HydrophobicContact CD2-CZ2 4.37Å; L6-W96 HydrophobicContact CD2-CZ3 3.87Å; L6-W96 HydrophobicContact CG-CH2 4.42Å; L6-W96 HydrophobicContact CG-CZ2 4.37Å; L51-W96 HydrophobicContact CB-CH2 4.34Å; L51-W96 HydrophobicContact CB-CZ2 3.85Å; L51-W96 HydrophobicContact CD1-CH2 3.82Å; L51-W96 HydrophobicContact CD1-CZ2 3.91Å; T52-W96 PolarHBondContact O-NE1 3.4Å; T52-W96 VanDerWaalsContact O-NE1 3.13Å; I53-W96 HydrophobicContact CB-CG 4.27Å; I53-W96 HydrophobicContact CD1-CB 3.77Å; I53-W96 HydrophobicContact CD1-CG 4.08Å; I53-W96 HydrophobicContact CG1-CB 4.28Å; I53-W96 HydrophobicContact CG1-CG 4.18Å; H92-W96 WeakPolarHBondContact O-CB 3.37Å; H92-W96 PolarHBondContact O-N 2.92Å; F93-W96 PolarHBondContact O-N 3.16Å; W96-K98 PolarHBondContact O-N 3.01Å; W96-E99 PolarHBondContact O-N 3.32Å; W96-N100 HydrophobicContact CE3-CB 4.33Å; W96-N100 HydrophobicContact CH2-CB 3.99Å; W96-N100 HydrophobicContact CZ2-CB 4.32Å; W96-N100 HydrophobicContact CZ3-CB 4.01Å; W96-N100 WeakPolarHBondContact O-CB 3.49Å; W96-N100 PolarHBondContact O-N 2.86Å; W96-N100 PolarHBondContact O-ND2 2.99Å; W96-L260 HydrophobicContact CH2-CD1 3.78Å; W96-L260 HydrophobicContact CZ3-CD1 4.32Å; W96-L260 HydrophobicContact CZ3-CD2 4.38Å
97F98.7Very high97.6Very high0 Ų061.6 Ų61.60%030%0.302CS..Hα-helixtrans-61.8-44.6179-67.6-45.9000112.4L6 A68 V76 L78 F93 E94 K95 N100 G101 L102 V104 L258L6-F97 HydrophobicContact CD2-CE1 4.23Å; A68-F97 HydrophobicContact CB-CE2 4.41Å; A68-F97 HydrophobicContact CB-CZ 4.08Å; V76-F97 HydrophobicContact CG1-CB 3.97Å; V76-F97 HydrophobicContact CG1-CD1 4.26Å; V76-F97 HydrophobicContact CG1-CD2 3.74Å; V76-F97 HydrophobicContact CG1-CE2 4.31Å; V76-F97 HydrophobicContact CG1-CG 3.75Å; V76-F97 HydrophobicContact CG2-CD2 4.19Å; V76-F97 HydrophobicContact CG2-CE1 4.4Å; V76-F97 HydrophobicContact CG2-CE2 3.89Å; V76-F97 HydrophobicContact CG2-CZ 4.03Å; L78-F97 HydrophobicContact CD1-CD2 3.95Å; L78-F97 HydrophobicContact CD1-CE2 3.74Å; F93-F97 HydrophobicContact CB-CD2 4.31Å; F93-F97 HydrophobicContact CB-CE2 3.77Å; F93-F97 HydrophobicContact CB-CZ 4.32Å; F93-F97 HydrophobicContact CD1-CZ 4.38Å; F93-F97 WeakPolarHBondContact O-CD2 3.3Å; F93-F97 VanDerWaalsContact O-CG 3.24Å; F93-F97 WeakPolarHBondContact O-CG 3.05Å; F93-F97 PolarHBondContact O-N 3.11Å; E94-F97 PolarHBondContact O-N 3.26Å; K95-F97 VanDerWaalsContact C-N 3.34Å; K95-F97 PolarHBondContact O-N 3.12Å; F97-N100 CarbonylContact O-C 3.58Å; F97-N100 PolarHBondContact O-N 2.8Å; F97-G101 PolarHBondContact O-N 3.08Å; F97-G101 VanDerWaalsContact O-N 3.17Å; F97-L102 HydrophobicContact CB-CB 4.17Å; F97-L102 HydrophobicContact CD1-CD1 4.49Å; F97-L102 HydrophobicContact CD1-CD2 4.12Å; F97-L102 PolarHBondContact O-N 3.32Å; F97-V104 HydrophobicContact CB-CG2 3.65Å; F97-L258 HydrophobicContact CE1-CD2 3.46Å; F97-L258 VanDerWaalsContact CE1-CD2 3.46Å; F97-L258 HydrophobicContact CZ-CD2 3.4Å; F97-L258 VanDerWaalsContact CZ-CD2 3.4Å
98K98.4Very high97.4Very high118 Ų11861.4 Ų61.451%0.51331%0.313SS..Hα-helixtrans-63.8-44177.4-71177-175.6172.60111.8E94 K95 W96 N100 G101 V104E94-K98 HydrophobicContact CG-CD 4.3Å; E94-K98 WeakPolarHBondContact O-CG 3.31Å; E94-K98 PolarHBondContact O-N 3.49Å; E94-K98 VanDerWaalsContact O-N 3.12Å; E94-K98 VanDerWaalsContact OE1-CE 3.3Å; E94-K98 WeakPolarHBondContact OE1-CE 3.25Å; E94-K98 IonicContact OE1-NZ 3.4Å; E94-K98 PolarHBondContact OE1-NZ 3.49Å; K95-K98 PolarHBondContact O-N 3.11Å; W96-K98 PolarHBondContact O-N 3.01Å; K98-N100 PolarHBondContact O-N 3.09Å; K98-G101 PolarHBondContact O-N 3.09Å; K98-G101 VanDerWaalsContact O-N 3.15Å; K98-V104 HydrophobicContact CG-CG2 3.79Å
99E98.4Very high97.4Very high134 Ų13466.6 Ų66.663%0.62633%0.333SS*.Hα-helixtrans-65.4-26.9178.3-72.4175.1165.600112.5K95 W96K95-E99 WeakPolarHBondContact CE-OE1 3.38Å; K95-E99 HydrophobicContact CG-CG 4.43Å; K95-E99 IonicContact NZ-OE1 2.79Å; K95-E99 WeakPolarHBondContact O-CG 3.33Å; K95-E99 PolarHBondContact O-N 2.82Å; W96-E99 PolarHBondContact O-N 3.32Å
100N98.1Very high97.4Very high78 Ų7868.8 Ų68.842%0.41734%0.342SS..THydrogen-bonded Turntrans-96.913.6176.3-71.8-89.1000113.6W96 F97 K98 L102W96-N100 HydrophobicContact CE3-CB 4.33Å; W96-N100 HydrophobicContact CH2-CB 3.99Å; W96-N100 HydrophobicContact CZ2-CB 4.32Å; W96-N100 HydrophobicContact CZ3-CB 4.01Å; W96-N100 WeakPolarHBondContact O-CB 3.49Å; W96-N100 PolarHBondContact O-N 2.86Å; W96-N100 PolarHBondContact O-ND2 2.99Å; F97-N100 CarbonylContact O-C 3.58Å; F97-N100 PolarHBondContact O-N 2.8Å; K98-N100 PolarHBondContact O-N 3.09Å; N100-L102 HydrophobicContact CB-CD1 4.3Å
101G97.5Very high97.4Very high61 Ų6170 Ų7063%0.62935%0.348SS*.THydrogen-bonded Turntrans79.616.6168.600000115.8F97 K98F97-G101 PolarHBondContact O-N 3.08Å; F97-G101 VanDerWaalsContact O-N 3.17Å; K98-G101 PolarHBondContact O-N 3.09Å; K98-G101 VanDerWaalsContact O-N 3.15Å
102L98.2Very high97.5Very high26 Ų2662 Ų6214%0.13632%0.318CS..  trans-83.1140171.4-73.784.6000110.9V71 K74 V76 F97 N100 V104V71-L102 HydrophobicContact CG1-CD2 4.07Å; V71-L102 HydrophobicContact CG2-CD2 4.11Å; K74-L102 CarbonylContact O-C 3.59Å; K74-L102 WeakPolarHBondContact O-CA 3.49Å; V76-L102 HydrophobicContact CB-CD2 3.91Å; V76-L102 HydrophobicContact CG1-CB 4.15Å; V76-L102 HydrophobicContact CG1-CD2 4.1Å; F97-L102 HydrophobicContact CB-CB 4.17Å; F97-L102 HydrophobicContact CD1-CD1 4.49Å; F97-L102 HydrophobicContact CD1-CD2 4.12Å; F97-L102 PolarHBondContact O-N 3.32Å; N100-L102 HydrophobicContact CB-CD1 4.3Å; L102-V104 PolarHBondContact O-N 2.93Å
103Q97.9Very high97.5Very high118 Ų11859.1 Ų59.155%0.55130%0.304SS*.EExtended strand (participates in β ladder)trans-75.4112.6166.9-174.4175.615.200109.4K74 S75 V76 F105K74-Q103 PolarHBondContact O-N 3.16Å; S75-Q103 CarbonylContact C-O 3.56Å; S75-Q103 VanDerWaalsContact CA-O 3.26Å; S75-Q103 WeakPolarHBondContact CA-O 3.25Å; V76-Q103 PolarHBondContact N-O 3.19Å; Q103-F105 HydrophobicContact CB-CE2 4.29Å; Q103-F105 HydrophobicContact CG-CD2 4.33Å; Q103-F105 HydrophobicContact CG-CE2 3.66Å; Q103-F105 HydrophobicContact CG-CZ 4.07Å
104V98.1Very high97.5Very high32 Ų3259 Ų5919%0.19430%0.304CS..EExtended strand (participates in β ladder)trans-88.5118.1-179-175.10000110.6V76 L78 E94 F97 K98 L102V76-V104 HydrophobicContact CG1-CB 4.25Å; V76-V104 HydrophobicContact CG1-CG1 4.32Å; V76-V104 HydrophobicContact CG1-CG2 3.83Å; L78-V104 HydrophobicContact CB-CG1 4.07Å; L78-V104 HydrophobicContact CD2-CG1 4.26Å; E94-V104 HydrophobicContact CG-CG1 4.26Å; F97-V104 HydrophobicContact CB-CG2 3.65Å; K98-V104 HydrophobicContact CG-CG2 3.79Å; L102-V104 PolarHBondContact O-N 2.93Å
105F97.2Very high97.4Very high67 Ų6757.5 Ų57.529%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-97.6133.4163.9-65.6-93000108.2V76 Y77 L78 Q103 L145V76-F105 PolarHBondContact O-N 3Å; Y77-F105 CarbonylContact C-O 3.54Å; Y77-F105 WeakPolarHBondContact CA-O 3.16Å; Y77-F105 HydrophobicContact CD2-CB 4.05Å; L78-F105 PolarHBondContact N-O 3.43Å; Q103-F105 HydrophobicContact CB-CE2 4.29Å; Q103-F105 HydrophobicContact CG-CD2 4.33Å; Q103-F105 HydrophobicContact CG-CE2 3.66Å; Q103-F105 HydrophobicContact CG-CZ 4.07Å; F105-L145 HydrophobicContact CB-CD2 4.33Å; F105-L145 HydrophobicContact CD2-CD2 3.56Å; F105-L145 HydrophobicContact CE2-CD2 4.15Å; F105-L145 HydrophobicContact CG-CD2 4.11Å
106S92.7Very high97.4Very high55 Ų5551.5 Ų51.539%0.38527%0.273SS..  trans-156.1136.9-17892.40000109.8R90R90-S106 PolarHBondContact NH2-OG 3.24Å
107D92.1Very high97.4Very high38 Ų3850.5 Ų50.520%0.20327%0.269CS..  trans-137.3178.416360.364.3000109.4Y77 R90 E109 N141Y77-D107 PolarHBondContact OH-OD1 3.16Å; Y77-D107 VanDerWaalsContact OH-OD1 3.07Å; Y77-D107 PolarHBondContact OH-OD2 3.1Å; R90-D107 PolarHBondContact NH1-O 3.47Å; R90-D107 VanDerWaalsContact NH1-O 3.12Å; R90-D107 PolarHBondContact NH2-O 3.19Å; D107-E109 PolarHBondContact OD1-N 3.18Å; D107-N141 WeakPolarHBondContact OD2-CB 3.3Å; D107-N141 PolarHBondContact OD2-ND2 3.34Å
108T94.7Very high97.4Very high102 Ų10250.7 Ų50.763%0.62627%0.271SS*.SBendtrans-129.718.2178.762.60000111.1N80N80-T108 WeakPolarHBondContact ND2-CA 3.09Å
109E96.5Very high97.4Very high123 Ų12345.4 Ų45.458%0.57525%0.249SC*.SBendtrans-73.4-41.1-177.5-170-177.2166.200110.6D107D107-E109 PolarHBondContact OD1-N 3.18Å
110Y98.1Very high97.4Very high47 Ų4741.4 Ų41.418%0.18423%0.229CC..SBendtrans-127.5150-179.7-57.8-66.9000110.9N80 E135 N137N80-Y110 WeakPolarHBondContact CB-O 3.36Å; N80-Y110 PolarHBondContact ND2-O 3.37Å; Y110-E135 WeakPolarHBondContact CA-OE2 3.26Å; Y110-N137 HydrophobicContact CD1-CB 3.6Å; Y110-N137 HydrophobicContact CD2-CB 3.83Å; Y110-N137 HydrophobicContact CE1-CB 3.38Å; Y110-N137 HydrophobicContact CE2-CB 3.65Å; Y110-N137 HydrophobicContact CG-CB 3.82Å; Y110-N137 VanDerWaalsContact CZ-CB 3.43Å
111F98.5Very high97.4Very high52 Ų5238.5 Ų38.523%0.22822%0.215CC..  trans-73.6139.6170.4-60.6-61.7000111N80 R82 S134 E135N80-F111 VanDerWaalsContact O-CA 3.28Å; N80-F111 WeakPolarHBondContact O-CA 3.15Å; N80-F111 WeakPolarHBondContact O-CD1 3.12Å; R82-F111 VanDerWaalsContact CA-CD1 3.48Å; R82-F111 HydrophobicContact CB-CB 4.34Å; R82-F111 HydrophobicContact CB-CD1 4.27Å; R82-F111 HydrophobicContact CB-CG 4.12Å; R82-F111 HydrophobicContact CG-CD2 4.13Å; R82-F111 HydrophobicContact CG-CE2 4.34Å; R82-F111 HydrophobicContact CG-CG 4.25Å; R82-F111 VanDerWaalsContact NH1-CD2 3.29Å; F111-S134 WeakPolarHBondContact O-CA 3.3Å; F111-E135 HydrophobicContact CB-CG 4.28Å; F111-E135 HydrophobicContact CD2-CG 4.44Å; F111-E135 WeakPolarHBondContact CD2-OE2 3.46Å; F111-E135 PolarHBondContact N-OE2 3.09Å; F111-E135 PolarHBondContact O-N 3.46Å
112F98.6Very high97.3Very high1 Ų137 Ų370%0.00419%0.194CC..BIsolated β-bridgetrans-153.8123.8178175.3-119.8000109.1L70 Y77 A79 N80 G114 A118 A138 Y139 I142L70-F112 HydrophobicContact CB-CE1 4.04Å; L70-F112 HydrophobicContact CB-CZ 3.87Å; Y77-F112 AromaticContact CD1-CD1 3.55Å; Y77-F112 HydrophobicContact CD1-CD1 3.55Å; Y77-F112 AromaticContact CD1-CE1 3.81Å; Y77-F112 HydrophobicContact CD1-CE1 3.81Å; Y77-F112 HydrophobicContact CD1-CG 4.48Å; Y77-F112 HydrophobicContact CE1-CB 4.44Å; Y77-F112 AromaticContact CE1-CD1 3.79Å; Y77-F112 HydrophobicContact CE1-CD1 3.79Å; Y77-F112 HydrophobicContact CE1-CE1 4.45Å; Y77-F112 HydrophobicContact CE1-CG 4.34Å; A79-F112 CarbonylContact C-O 3.58Å; A79-F112 VanDerWaalsContact CA-O 3.28Å; A79-F112 WeakPolarHBondContact CA-O 3.46Å; A79-F112 VanDerWaalsContact CB-O 3.3Å; A79-F112 WeakPolarHBondContact CB-O 3.22Å; N80-F112 CarbonylContact C-O 3.57Å; N80-F112 PolarHBondContact N-O 2.93Å; N80-F112 PolarHBondContact O-N 3.1Å; F112-G114 VanDerWaalsContact CZ-CA 3.43Å; F112-A118 HydrophobicContact CE2-CB 3.79Å; F112-A118 HydrophobicContact CZ-CB 3.79Å; F112-A138 HydrophobicContact CB-CB 4.03Å; F112-Y139 HydrophobicContact CE2-CE1 4.09Å; F112-I142 HydrophobicContact CD1-CD1 3.95Å; F112-I142 HydrophobicContact CD2-CD1 3.66Å; F112-I142 HydrophobicContact CE1-CD1 3.82Å; F112-I142 HydrophobicContact CE1-CG1 4.48Å; F112-I142 HydrophobicContact CE2-CD1 3.56Å; F112-I142 HydrophobicContact CG-CD1 3.86Å; F112-I142 HydrophobicContact CZ-CD1 3.62Å
113E98.6Very high97.1Very high0 Ų041.2 Ų41.20%022%0.217CC..  trans-108.837.9-177.2-60.8-161.1-17600112N67 F81 R82 G116 R133 S134 H162N67-E113 WeakPolarHBondContact CA-O 3.43Å; N67-E113 PolarHBondContact OD1-O 2.79Å; F81-E113 HydrophobicContact CD1-CB 4.49Å; F81-E113 HydrophobicContact CD1-CG 3.9Å; F81-E113 HydrophobicContact CE1-CG 4.42Å; R82-E113 VanDerWaalsContact CB-OE1 3.29Å; R82-E113 WeakPolarHBondContact CB-OE1 3.44Å; R82-E113 PolarHBondContact N-OE1 2.97Å; E113-G116 PolarHBondContact O-N 3.42Å; E113-R133 HydrophobicContact CB-CB 4.32Å; E113-R133 HydrophobicContact CG-CB 4.05Å; E113-R133 IonicContact OE1-NH1 3.16Å; E113-R133 IonicContact OE2-CZ 3.05Å; E113-R133 IonicContact OE2-NH1 3.45Å; E113-R133 PolarHBondContact OE2-NH1 2.95Å; E113-S134 PolarHBondContact N-OG 2.86Å; E113-H162 VanDerWaalsContact CB-NE2 3.3Å; E113-H162 WeakPolarHBondContact CB-NE2 3.31Å; E113-H162 IonicContact OE2-CE1 3.31Å; E113-H162 PolarHBondContact OE2-CE1 3.03Å; E113-H162 IonicContact OE2-NE2 2.87Å; E113-H162 PolarHBondContact OE2-NE2 3.01Å
114G98.4Very high97Very high0 Ų038.9 Ų38.90%021%0.214CC..G310 helixtrans62.7-139.316500000113.9G69 F112 G116 D117 A118G69-G114 WeakPolarHBondContact O-CA 3.34Å; F112-G114 VanDerWaalsContact CZ-CA 3.43Å; G114-G116 PolarHBondContact O-N 2.93Å; G114-G116 VanDerWaalsContact O-N 3.15Å; G114-D117 PolarHBondContact O-N 3.48Å; G114-D117 VanDerWaalsContact O-N 3.1Å; G114-A118 WeakPolarHBondContact O-CB 3.37Å; G114-A118 PolarHBondContact O-N 3.41Å
115G98.2Very high97Very high9 Ų938.4 Ų38.49%0.09321%0.211CC..G310 helixtrans-64.5-11.2-179.500000115.5C66 G69 D117 A118C66-G115 WeakPolarHBondContact O-CA 3.3Å; C66-G115 PolarHBondContact O-N 3.42Å; C66-G115 WeakPolarHBondContact SG-CA 3.38Å; C66-G115 PolarHBondContact SG-O 3.11Å; G69-G115 PolarHBondContact O-N 3.14Å; G115-D117 VanDerWaalsContact C-N 3.26Å; G115-D117 PolarHBondContact O-N 3.04Å; G115-A118 WeakPolarHBondContact CA-O 3.42Å
116G98.6Very high97Very high0 Ų035.2 Ų35.20%020%0.197CC..G310 helixtrans-63.7-34.5169.800000112N67 E113 G114 H162 M163 D164N67-G116 WeakPolarHBondContact OD1-CA 3.3Å; N67-G116 PolarHBondContact OD1-N 3.33Å; E113-G116 PolarHBondContact O-N 3.42Å; G114-G116 PolarHBondContact O-N 2.93Å; G114-G116 VanDerWaalsContact O-N 3.15Å; G116-H162 WeakPolarHBondContact O-CB 2.98Å; G116-M163 PolarHBondContact O-N 3.16Å; G116-D164 PolarHBondContact O-N 3.4Å
117D98.8Very high97.3Very high0 Ų032.7 Ų32.70%018%0.18CC..THydrogen-bonded Turntrans-117.9-2.5-179.4-77.1-31.9000113.7G114 G115 G129 R133 S134 Y139 H162 M163G114-D117 PolarHBondContact O-N 3.48Å; G114-D117 VanDerWaalsContact O-N 3.1Å; G115-D117 VanDerWaalsContact C-N 3.26Å; G115-D117 PolarHBondContact O-N 3.04Å; D117-G129 WeakPolarHBondContact O-CA 3.36Å; D117-G129 PolarHBondContact O-N 2.95Å; D117-R133 WeakPolarHBondContact OD2-CB 3.35Å; D117-S134 VanDerWaalsContact CB-OG 3.28Å; D117-S134 WeakPolarHBondContact CB-OG 3.48Å; D117-S134 WeakPolarHBondContact OD2-CB 3.47Å; D117-S134 PolarHBondContact OD2-N 3.07Å; D117-S134 PolarHBondContact OD2-OG 2.69Å; D117-Y139 PolarHBondContact O-OH 3.12Å; D117-H162 WeakPolarHBondContact OD1-CA 3.33Å; D117-H162 IonicContact OD1-CD2 2.96Å; D117-H162 IonicContact OD2-CD2 2.7Å; D117-M163 VanDerWaalsContact O-CE 3.3Å; D117-M163 WeakPolarHBondContact O-CE 3.3Å; D117-M163 PolarHBondContact OD1-N 3.13Å; D117-M163 VanDerWaalsContact OD1-N 3.07Å
118A98.7Very high97.6Very high3 Ų330.9 Ų30.93%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-135.9117.6-176.400000112.3L70 F112 G114 G115 L126 W127 Y139L70-A118 HydrophobicContact CD1-CB 3.96Å; L70-A118 HydrophobicContact CD2-CB 4.09Å; L70-A118 HydrophobicContact CG-CB 4.46Å; F112-A118 HydrophobicContact CE2-CB 3.79Å; F112-A118 HydrophobicContact CZ-CB 3.79Å; G114-A118 WeakPolarHBondContact O-CB 3.37Å; G114-A118 PolarHBondContact O-N 3.41Å; G115-A118 WeakPolarHBondContact CA-O 3.42Å; A118-L126 HydrophobicContact CB-CD1 4.17Å; A118-W127 WeakPolarHBondContact CA-O 3.29Å; A118-Y139 HydrophobicContact CB-CE1 4.21Å
119V98.3Very high97.8Very high8 Ų826 Ų265%0.04814%0.14CC..EExtended strand (participates in β ladder)trans-139134.1179.867.50000112W127 M163 L167 P169V119-W127 HydrophobicContact CG1-CB 4.14Å; V119-W127 PolarHBondContact N-O 3.03Å; V119-W127 PolarHBondContact O-N 3.43Å; V119-M163 HydrophobicContact CG1-CE 3.83Å; V119-L167 HydrophobicContact CG1-CD2 4.21Å; V119-P169 HydrophobicContact CG1-CG 3.73Å; V119-P169 HydrophobicContact CG2-CG 4.1Å
120F97.8Very high97.9Very high49 Ų4921.8 Ų21.822%0.21512%0.119CC..EExtended strand (participates in β ladder)trans-84126.1172.6-72.4-78.5000110.5L70 Y72 S122 T125 L126 F148L70-F120 HydrophobicContact CD1-CD2 4.03Å; L70-F120 HydrophobicContact CD1-CE2 3.7Å; L70-F120 HydrophobicContact CD2-CE2 3.94Å; L70-F120 HydrophobicContact CD2-CZ 4.24Å; L70-F120 HydrophobicContact CG-CE2 3.9Å; Y72-F120 AromaticContact CD2-CE1 3.94Å; Y72-F120 HydrophobicContact CD2-CE1 3.94Å; Y72-F120 AromaticContact CD2-CE2 3.95Å; Y72-F120 HydrophobicContact CD2-CE2 3.95Å; Y72-F120 AromaticContact CD2-CZ 3.49Å; Y72-F120 HydrophobicContact CD2-CZ 3.49Å; Y72-F120 VanDerWaalsContact CD2-CZ 3.49Å; Y72-F120 HydrophobicContact CE2-CE1 4.15Å; Y72-F120 HydrophobicContact CE2-CZ 4.16Å; Y72-F120 HydrophobicContact CG-CZ 4.24Å; F120-S122 WeakPolarHBondContact CB-O 3.32Å; F120-S122 WeakPolarHBondContact CD1-O 3.49Å; F120-T125 WeakPolarHBondContact CA-O 3.35Å; F120-L126 HydrophobicContact CD1-CB 3.99Å; F120-L126 HydrophobicContact CD1-CD1 4.07Å; F120-L126 HydrophobicContact CD2-CD1 4.04Å; F120-L126 HydrophobicContact CE1-CB 3.67Å; F120-L126 HydrophobicContact CE1-CD1 3.95Å; F120-L126 HydrophobicContact CE1-CG 4.32Å; F120-L126 HydrophobicContact CE2-CD1 3.92Å; F120-L126 HydrophobicContact CG-CD1 4.12Å; F120-L126 HydrophobicContact CZ-CB 4.25Å; F120-L126 HydrophobicContact CZ-CD1 3.87Å; F120-L126 HydrophobicContact CZ-CG 4.44Å; F120-F148 HydrophobicContact CE1-CB 4.2Å; F120-F148 AromaticContact CE1-CD1 3.87Å; F120-F148 HydrophobicContact CE1-CD1 3.87Å; F120-F148 HydrophobicContact CE1-CD2 4.01Å; F120-F148 HydrophobicContact CE1-CE1 4.23Å; F120-F148 HydrophobicContact CE1-CE2 4.37Å; F120-F148 AromaticContact CE1-CG 3.76Å; F120-F148 HydrophobicContact CE1-CG 3.76Å; F120-F148 HydrophobicContact CE1-CZ 4.47Å; F120-F148 HydrophobicContact CZ-CD1 4.02Å; F120-F148 HydrophobicContact CZ-CD2 4.41Å; F120-F148 AromaticContact CZ-CE1 3.91Å; F120-F148 HydrophobicContact CZ-CE1 3.91Å; F120-F148 HydrophobicContact CZ-CE2 4.33Å; F120-F148 HydrophobicContact CZ-CG 4.27Å; F120-F148 HydrophobicContact CZ-CZ 4.08Å
121S97.1Very high97.9Very high17 Ų1721.5 Ų21.512%0.11913%0.13CC..EExtended strand (participates in β ladder)trans-84.3-29.5165.252.50000111.2T125 W127 S172S121-T125 PolarHBondContact N-O 3.38Å; S121-T125 PolarHBondContact OG-O 3.22Å; S121-W127 PolarHBondContact OG-NE1 3.45Å; S121-S172 VanDerWaalsContact O-CA 3.3Å; S121-S172 WeakPolarHBondContact O-CA 3.47Å; S121-S172 PolarHBondContact O-N 2.99Å
122S95.9Very high97.9Very high29 Ų2922 Ų2220%0.20313%0.132CC..EExtended strand (participates in β ladder)trans-145171.3173.172.80000109.5F120 S124 T125F120-S122 WeakPolarHBondContact CB-O 3.32Å; F120-S122 WeakPolarHBondContact CD1-O 3.49Å; S122-S124 PolarHBondContact O-N 3.01Å; S122-S124 PolarHBondContact OG-N 2.98Å; S122-S124 PolarHBondContact OG-OG 3.34Å; S122-S124 VanDerWaalsContact OG-OG 3.08Å; S122-T125 PolarHBondContact O-N 3.31Å; S122-T125 PolarHBondContact OG-N 3.04Å; S122-T125 PolarHBondContact OG-OG1 3.13Å
123N93.8Very high97.9Very high115 Ų11522.1 Ų22.162%0.61513%0.133SC*.THydrogen-bonded Turntrans-63.7-12174.6-69.7-0.7000113.1Y72Y72-N123 WeakPolarHBondContact CE2-O 3.28Å; Y72-N123 PolarHBondContact OH-O 3.49Å
124S96.1Very high97.9Very high70 Ų7022.1 Ų22.149%0.4913%0.133SC..THydrogen-bonded Turntrans-112.7-2.8-177.557.40000114.1S122 R149S122-S124 PolarHBondContact O-N 3.01Å; S122-S124 PolarHBondContact OG-N 2.98Å; S122-S124 PolarHBondContact OG-OG 3.34Å; S122-S124 VanDerWaalsContact OG-OG 3.08Å; S124-R149 PolarHBondContact O-N 2.7Å
125T97.7Very high97.9Very high22 Ų2225 Ų2514%0.13515%0.147CC..EExtended strand (participates in β ladder)trans-135109-175.1-52.40000110.9F120 S121 S122 W127 M151F120-T125 WeakPolarHBondContact CA-O 3.35Å; S121-T125 PolarHBondContact N-O 3.38Å; S121-T125 PolarHBondContact OG-O 3.22Å; S122-T125 PolarHBondContact O-N 3.31Å; S122-T125 PolarHBondContact OG-N 3.04Å; S122-T125 PolarHBondContact OG-OG1 3.13Å; T125-W127 HydrophobicContact CG2-CZ2 4.41Å; T125-M151 HydrophobicContact CG2-CG 3.87Å
126L98.5Very high97.9Very high0 Ų028.8 Ų28.80%016%0.16CC..EExtended strand (participates in β ladder)trans-95.9122.7171.7-17963.6000109.9L70 A118 F120 Y139 I142 F148 R149 V150 M151L70-L126 HydrophobicContact CD1-CD1 4.25Å; L70-L126 HydrophobicContact CD2-CD1 3.85Å; L70-L126 HydrophobicContact CD2-CD2 3.81Å; A118-L126 HydrophobicContact CB-CD1 4.17Å; F120-L126 HydrophobicContact CD1-CB 3.99Å; F120-L126 HydrophobicContact CD1-CD1 4.07Å; F120-L126 HydrophobicContact CD2-CD1 4.04Å; F120-L126 HydrophobicContact CE1-CB 3.67Å; F120-L126 HydrophobicContact CE1-CD1 3.95Å; F120-L126 HydrophobicContact CE1-CG 4.32Å; F120-L126 HydrophobicContact CE2-CD1 3.92Å; F120-L126 HydrophobicContact CG-CD1 4.12Å; F120-L126 HydrophobicContact CZ-CB 4.25Å; F120-L126 HydrophobicContact CZ-CD1 3.87Å; F120-L126 HydrophobicContact CZ-CG 4.44Å; L126-Y139 HydrophobicContact CD2-CD1 4.38Å; L126-I142 HydrophobicContact CD2-CG2 4.2Å; L126-F148 HydrophobicContact CB-CD2 3.76Å; L126-F148 HydrophobicContact CB-CE2 4.02Å; L126-F148 HydrophobicContact CD2-CD2 4.23Å; L126-F148 HydrophobicContact CD2-CE2 3.6Å; L126-F148 HydrophobicContact CD2-CZ 4.33Å; L126-F148 HydrophobicContact CG-CE2 4.45Å; L126-R149 PolarHBondContact N-O 2.96Å; L126-V150 HydrophobicContact CD2-CG2 4.46Å; L126-M151 WeakPolarHBondContact O-CB 3.44Å; L126-M151 PolarHBondContact O-N 2.68Å
127W98.7Very high97.9Very high2 Ų232 Ų321%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-86.4127.5164.7-60.8101.5000108.7A118 V119 S121 T125 M151 M163 L167 F190 E193 M194A118-W127 WeakPolarHBondContact CA-O 3.29Å; V119-W127 HydrophobicContact CG1-CB 4.14Å; V119-W127 PolarHBondContact N-O 3.03Å; V119-W127 PolarHBondContact O-N 3.43Å; S121-W127 PolarHBondContact OG-NE1 3.45Å; T125-W127 HydrophobicContact CG2-CZ2 4.41Å; W127-M151 HydrophobicContact CD2-CB 3.94Å; W127-M151 HydrophobicContact CD2-CG 4.44Å; W127-M151 HydrophobicContact CE3-CB 3.33Å; W127-M151 HydrophobicContact CE3-CG 4.08Å; W127-M151 HydrophobicContact CH2-CB 4.36Å; W127-M151 HydrophobicContact CH2-CE 3.9Å; W127-M151 HydrophobicContact CH2-CG 4.35Å; W127-M151 HydrophobicContact CZ3-CB 3.6Å; W127-M151 HydrophobicContact CZ3-CE 3.85Å; W127-M151 HydrophobicContact CZ3-CG 4.06Å; W127-M163 HydrophobicContact CB-CE 4Å; W127-M163 HydrophobicContact CB-SD 4.46Å; W127-M163 WeakPolarHBondContact O-CE 3.3Å; W127-L167 HydrophobicContact CB-CD2 4.03Å; W127-L167 HydrophobicContact CG-CD2 4.25Å; W127-F190 AromaticContact CD2-CE1 3.67Å; W127-F190 HydrophobicContact CD2-CE1 3.67Å; W127-F190 HydrophobicContact CD2-CZ 4.25Å; W127-F190 AromaticContact CE3-CD1 3.98Å; W127-F190 HydrophobicContact CE3-CD1 3.98Å; W127-F190 AromaticContact CE3-CE1 3.26Å; W127-F190 HydrophobicContact CE3-CE1 3.26Å; W127-F190 AromaticContact CE3-CZ 3.63Å; W127-F190 HydrophobicContact CE3-CZ 3.63Å; W127-F190 HydrophobicContact CG-CE1 4.47Å; W127-F190 AromaticContact CH2-CD1 3.6Å; W127-F190 HydrophobicContact CH2-CD1 3.6Å; W127-F190 AromaticContact CH2-CE1 3.73Å; W127-F190 HydrophobicContact CH2-CE1 3.73Å; W127-F190 HydrophobicContact CZ2-CD1 4.2Å; W127-F190 HydrophobicContact CZ2-CE1 4.11Å; W127-F190 AromaticContact CZ3-CD1 3.47Å; W127-F190 HydrophobicContact CZ3-CD1 3.47Å; W127-F190 VanDerWaalsContact CZ3-CD1 3.47Å; W127-F190 AromaticContact CZ3-CE1 3.27Å; W127-F190 HydrophobicContact CZ3-CE1 3.27Å; W127-F190 HydrophobicContact CZ3-CG 4.2Å; W127-F190 AromaticContact CZ3-CZ 3.89Å; W127-F190 HydrophobicContact CZ3-CZ 3.89Å; W127-E193 HydrophobicContact CH2-CB 3.89Å; W127-E193 HydrophobicContact CZ2-CB 4.35Å; W127-M194 HydrophobicContact CH2-CG 4.07Å; W127-M194 HydrophobicContact CH2-SD 4.26Å; W127-M194 HydrophobicContact CZ2-CG 3.49Å; W127-M194 VanDerWaalsContact CZ2-CG 3.49Å; W127-M194 HydrophobicContact CZ2-SD 3.36Å; W127-M194 WeakPolarHBondContact CZ2-SD 3.42Å
128A98.7Very high97.9Very high0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-127.486.5-163.900000110.9Y139 V150 M151 F152 C153A128-Y139 HydrophobicContact CB-CD1 3.57Å; A128-Y139 HydrophobicContact CB-CD2 4.04Å; A128-Y139 HydrophobicContact CB-CE1 3.39Å; A128-Y139 HydrophobicContact CB-CE2 3.87Å; A128-Y139 HydrophobicContact CB-CG 3.91Å; A128-V150 HydrophobicContact CB-CG1 3.59Å; A128-M151 WeakPolarHBondContact CB-O 3.13Å; A128-M151 PolarHBondContact N-O 3.22Å; A128-F152 HydrophobicContact CB-CD1 4.34Å; A128-C153 PolarHBondContact O-N 3.34Å
129G98.8Very high97.9Very high0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-62137.3174.500000113D117 Y139 C153D117-G129 WeakPolarHBondContact O-CA 3.36Å; D117-G129 PolarHBondContact O-N 2.95Å; G129-Y139 PolarHBondContact N-OH 3.42Å; G129-Y139 VanDerWaalsContact O-CE2 3.28Å; G129-Y139 WeakPolarHBondContact O-CE2 3.45Å; G129-Y139 PolarHBondContact O-OH 3.05Å; G129-C153 CarbonylContact C-O 3.57Å; G129-C153 VanDerWaalsContact CA-O 3.26Å; G129-C153 WeakPolarHBondContact CA-O 3.44Å
130Y98.8Very high97.8Very high33 Ų3337.5 Ų37.513%0.12920%0.202CC..EExtended strand (participates in β ladder)trans-150.7159.5171.269.8-84.5000111.4S134 K136 F152 C153 E154 L155Y130-S134 WeakPolarHBondContact CA-O 3.36Å; Y130-K136 HydrophobicContact CD1-CB 4.36Å; Y130-K136 HydrophobicContact CD1-CD 4.48Å; Y130-K136 HydrophobicContact CD1-CG 4.23Å; Y130-K136 HydrophobicContact CD2-CB 3.85Å; Y130-K136 HydrophobicContact CD2-CD 4.36Å; Y130-K136 HydrophobicContact CD2-CG 4.38Å; Y130-K136 HydrophobicContact CE1-CD 4.06Å; Y130-K136 HydrophobicContact CE1-CG 4.28Å; Y130-K136 HydrophobicContact CE2-CB 4.26Å; Y130-K136 HydrophobicContact CE2-CD 3.93Å; Y130-K136 HydrophobicContact CE2-CG 4.43Å; Y130-K136 HydrophobicContact CG-CB 3.89Å; Y130-K136 HydrophobicContact CG-CG 4.26Å; Y130-K136 PolarHBondContact OH-NZ 3.43Å; Y130-K136 VanDerWaalsContact OH-NZ 3.11Å; Y130-F152 HydrophobicContact CD1-CB 4.5Å; Y130-F152 HydrophobicContact CD1-CD1 4.34Å; Y130-F152 HydrophobicContact CE1-CB 3.92Å; Y130-F152 HydrophobicContact CE1-CD1 4.37Å; Y130-C153 WeakPolarHBondContact CD1-O 3.39Å; Y130-C153 PolarHBondContact N-O 2.77Å; Y130-E154 HydrophobicContact CE1-CB 3.88Å; Y130-E154 HydrophobicContact CE2-CB 3.96Å; Y130-E154 HydrophobicContact CE2-CG 3.8Å; Y130-L155 PolarHBondContact O-N 2.95Å
131G98.3Very high97.7Very high41 Ų4135.8 Ų35.842%0.42320%0.195SC..SBendtrans145.6-68174.600000111.7S134G131-S134 PolarHBondContact N-O 3.39Å
132F98.2Very high97.8Very high63 Ų6335 Ų3528%0.27619%0.189SC..SBendtrans-98.8-39.7-171.9-55.9-65.6000114R82 L155 D157 S158R82-F132 WeakPolarHBondContact CD-O 3.44Å; R82-F132 PolarHBondContact NE-O 2.88Å; F132-L155 HydrophobicContact CD2-CB 3.94Å; F132-L155 HydrophobicContact CE2-CB 3.79Å; F132-D157 WeakPolarHBondContact CE2-O 3.49Å; F132-S158 VanDerWaalsContact CE2-CA 3.49Å; F132-S158 VanDerWaalsContact CE2-N 3.34Å
133R98.4Very high97.8Very high4 Ų435.7 Ų35.72%0.01520%0.197CC..SBendtrans-111.3-56.1-173.2-66-61.1-165.6124.1-10.7112.2I19 R82 Y83 E113 D117 Y161 H162I19-R133 PolarHBondContact O-NH2 2.94Å; R82-R133 PolarHBondContact NH1-O 3.45Å; Y83-R133 VanDerWaalsContact CD2-CZ 3.45Å; Y83-R133 VanDerWaalsContact CD2-NH1 3.26Å; E113-R133 HydrophobicContact CB-CB 4.32Å; E113-R133 HydrophobicContact CG-CB 4.05Å; E113-R133 IonicContact OE1-NH1 3.16Å; E113-R133 IonicContact OE2-CZ 3.05Å; E113-R133 IonicContact OE2-NH1 3.45Å; E113-R133 PolarHBondContact OE2-NH1 2.95Å; D117-R133 WeakPolarHBondContact OD2-CB 3.35Å; R133-Y161 HydrophobicContact CG-CD2 3.9Å; R133-Y161 WeakPolarHBondContact CG-O 3.49Å; R133-H162 WeakPolarHBondContact CB-CD2 3.28Å; R133-H162 VanDerWaalsContact CB-NE2 3.3Å; R133-H162 WeakPolarHBondContact CB-NE2 3.31Å; R133-H162 WeakPolarHBondContact CG-CD2 3.42Å; R133-H162 VanDerWaalsContact CG-NE2 3.34Å; R133-H162 WeakPolarHBondContact CG-NE2 3.25Å
134S98.7Very high97.7Very high0 Ų038.6 Ų38.60%020%0.2CC..SBendtrans-92.2146.7172.9-560000113.1F111 E113 D117 Y130 G131F111-S134 WeakPolarHBondContact O-CA 3.3Å; E113-S134 PolarHBondContact N-OG 2.86Å; D117-S134 VanDerWaalsContact CB-OG 3.28Å; D117-S134 WeakPolarHBondContact CB-OG 3.48Å; D117-S134 WeakPolarHBondContact OD2-CB 3.47Å; D117-S134 PolarHBondContact OD2-N 3.07Å; D117-S134 PolarHBondContact OD2-OG 2.69Å; Y130-S134 WeakPolarHBondContact CA-O 3.36Å; G131-S134 PolarHBondContact N-O 3.39Å
135E98.6Very high97.7Very high61 Ų6136.1 Ų36.129%0.28518%0.18SC..  trans-96.8138.3175.6-67.8-179.3102.500111.1Y110 F111 N137 A138Y110-E135 WeakPolarHBondContact CA-OE2 3.26Å; F111-E135 HydrophobicContact CB-CG 4.28Å; F111-E135 HydrophobicContact CD2-CG 4.44Å; F111-E135 WeakPolarHBondContact CD2-OE2 3.46Å; F111-E135 PolarHBondContact N-OE2 3.09Å; F111-E135 PolarHBondContact O-N 3.46Å; E135-N137 PolarHBondContact O-N 3.34Å; E135-N137 VanDerWaalsContact O-N 3.1Å; E135-A138 VanDerWaalsContact O-CB 3.28Å; E135-A138 WeakPolarHBondContact O-CB 3.35Å; E135-A138 PolarHBondContact O-N 2.87Å
136K98.5Very high97.6Very high87 Ų8736.4 Ų36.438%0.37819%0.188SC..THydrogen-bonded Turntrans-53.8-35.8-178.1-169.5174.8-172.5159.70113.1Y130 A138 Y139 F152Y130-K136 HydrophobicContact CD1-CB 4.36Å; Y130-K136 HydrophobicContact CD1-CD 4.48Å; Y130-K136 HydrophobicContact CD1-CG 4.23Å; Y130-K136 HydrophobicContact CD2-CB 3.85Å; Y130-K136 HydrophobicContact CD2-CD 4.36Å; Y130-K136 HydrophobicContact CD2-CG 4.38Å; Y130-K136 HydrophobicContact CE1-CD 4.06Å; Y130-K136 HydrophobicContact CE1-CG 4.28Å; Y130-K136 HydrophobicContact CE2-CB 4.26Å; Y130-K136 HydrophobicContact CE2-CD 3.93Å; Y130-K136 HydrophobicContact CE2-CG 4.43Å; Y130-K136 HydrophobicContact CG-CB 3.89Å; Y130-K136 HydrophobicContact CG-CG 4.26Å; Y130-K136 PolarHBondContact OH-NZ 3.43Å; Y130-K136 VanDerWaalsContact OH-NZ 3.11Å; K136-A138 VanDerWaalsContact C-N 3.3Å; K136-A138 PolarHBondContact O-N 2.89Å; K136-Y139 WeakPolarHBondContact O-CD2 3.05Å; K136-Y139 PolarHBondContact O-N 2.83Å; K136-F152 HydrophobicContact CD-CD1 4.45Å; K136-F152 HydrophobicContact CG-CD1 3.83Å; K136-F152 HydrophobicContact CG-CE1 3.73Å; K136-F152 HydrophobicContact CG-CZ 4.48Å
137N98.1Very high97.4Very high67 Ų6743.6 Ų43.636%0.35823%0.226SC..THydrogen-bonded Turntrans-69-24.3-178.6-70.662.8000113.5Y110 E135 Y139 Q140Y110-N137 HydrophobicContact CD1-CB 3.6Å; Y110-N137 HydrophobicContact CD2-CB 3.83Å; Y110-N137 HydrophobicContact CE1-CB 3.38Å; Y110-N137 HydrophobicContact CE2-CB 3.65Å; Y110-N137 HydrophobicContact CG-CB 3.82Å; Y110-N137 VanDerWaalsContact CZ-CB 3.43Å; E135-N137 PolarHBondContact O-N 3.34Å; E135-N137 VanDerWaalsContact O-N 3.1Å; N137-Y139 PolarHBondContact O-N 2.74Å; N137-Y139 VanDerWaalsContact O-N 3.14Å; N137-Q140 WeakPolarHBondContact O-CB 3.29Å; N137-Q140 PolarHBondContact O-N 2.94Å; N137-Q140 VanDerWaalsContact O-N 3.08Å
138A98.1Very high97.4Very high0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-56.6-32.6176.200000111.8F112 E135 K136 Q140 N141 I142F112-A138 HydrophobicContact CB-CB 4.03Å; E135-A138 VanDerWaalsContact O-CB 3.28Å; E135-A138 WeakPolarHBondContact O-CB 3.35Å; E135-A138 PolarHBondContact O-N 2.87Å; K136-A138 VanDerWaalsContact C-N 3.3Å; K136-A138 PolarHBondContact O-N 2.89Å; A138-Q140 PolarHBondContact O-N 3.06Å; A138-N141 PolarHBondContact O-N 3.04Å; A138-I142 HydrophobicContact CB-CD1 4.31Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 2.93Å
139Y98.1Very high97.3Very high2 Ų249.5 Ų49.51%0.00825%0.249CC..Hα-helixtrans-67-20.5-178.9-65.1-71000114.4F112 D117 A118 L126 A128 G129 K136 N137 N141 I142 A143 V150 F152F112-Y139 HydrophobicContact CE2-CE1 4.09Å; D117-Y139 PolarHBondContact O-OH 3.12Å; A118-Y139 HydrophobicContact CB-CE1 4.21Å; L126-Y139 HydrophobicContact CD2-CD1 4.38Å; A128-Y139 HydrophobicContact CB-CD1 3.57Å; A128-Y139 HydrophobicContact CB-CD2 4.04Å; A128-Y139 HydrophobicContact CB-CE1 3.39Å; A128-Y139 HydrophobicContact CB-CE2 3.87Å; A128-Y139 HydrophobicContact CB-CG 3.91Å; G129-Y139 PolarHBondContact N-OH 3.42Å; G129-Y139 VanDerWaalsContact O-CE2 3.28Å; G129-Y139 WeakPolarHBondContact O-CE2 3.45Å; G129-Y139 PolarHBondContact O-OH 3.05Å; K136-Y139 WeakPolarHBondContact O-CD2 3.05Å; K136-Y139 PolarHBondContact O-N 2.83Å; N137-Y139 PolarHBondContact O-N 2.74Å; N137-Y139 VanDerWaalsContact O-N 3.14Å; Y139-N141 VanDerWaalsContact C-N 3.3Å; Y139-I142 HydrophobicContact CD1-CB 4.49Å; Y139-I142 HydrophobicContact CD1-CD1 3.69Å; Y139-I142 HydrophobicContact CE1-CD1 3.89Å; Y139-I142 HydrophobicContact CG-CD1 4.38Å; Y139-A143 VanDerWaalsContact O-CB 3.3Å; Y139-A143 WeakPolarHBondContact O-CB 3.46Å; Y139-A143 PolarHBondContact O-N 3.1Å; Y139-V150 HydrophobicContact CG-CG1 4.47Å; Y139-F152 HydrophobicContact CD2-CD1 4.26Å; Y139-F152 AromaticContact CD2-CE1 3.82Å; Y139-F152 HydrophobicContact CD2-CE1 3.82Å; Y139-F152 AromaticContact CG-CE1 3.99Å; Y139-F152 HydrophobicContact CG-CE1 3.99Å
140Q96.4Very high97.3Very high126 Ų12651.1 Ų51.159%0.58926%0.259SS*.Hα-helixtrans-67.5-34.4172-62.4177.6-3.200111.5N137 A138N137-Q140 WeakPolarHBondContact O-CB 3.29Å; N137-Q140 PolarHBondContact O-N 2.94Å; N137-Q140 VanDerWaalsContact O-N 3.08Å; A138-Q140 PolarHBondContact O-N 3.06Å
141N97.2Very high97.2Very high12 Ų1249.9 Ų49.96%0.06425%0.254CS..Hα-helixtrans-80.7-39175.7-65.7-18.4000110.8Y77 D107 A138 Y139 A143 R144Y77-N141 HydrophobicContact CE2-CB 3.71Å; Y77-N141 WeakPolarHBondContact OH-CB 3.41Å; D107-N141 WeakPolarHBondContact OD2-CB 3.3Å; D107-N141 PolarHBondContact OD2-ND2 3.34Å; A138-N141 PolarHBondContact O-N 3.04Å; Y139-N141 VanDerWaalsContact C-N 3.3Å; N141-A143 VanDerWaalsContact C-N 3.32Å; N141-A143 PolarHBondContact O-N 2.84Å; N141-R144 VanDerWaalsContact O-CB 3.25Å; N141-R144 WeakPolarHBondContact O-CB 3.48Å; N141-R144 VanDerWaalsContact O-CG 3.31Å; N141-R144 WeakPolarHBondContact O-CG 3.45Å; N141-R144 PolarHBondContact O-N 3.15Å; N141-R144 VanDerWaalsContact O-N 3.14Å; N141-R144 PolarHBondContact OD1-NH2 3.36Å; N141-R144 VanDerWaalsContact OD1-NH2 3.07Å
142I97.7Very high97.2Very high0 Ų051.2 Ų51.20%025%0.249CC..Hα-helixtrans-63.2-36.1176.6-65.1162.4000111.9L70 Y77 F112 L126 A138 Y139 R144 L145 F148L70-I142 HydrophobicContact CD2-CG2 3.6Å; Y77-I142 HydrophobicContact CD1-CD1 4.14Å; Y77-I142 HydrophobicContact CD1-CG1 3.52Å; Y77-I142 HydrophobicContact CD2-CG1 3.9Å; Y77-I142 HydrophobicContact CE1-CD1 4.18Å; Y77-I142 HydrophobicContact CE1-CG1 3.67Å; Y77-I142 HydrophobicContact CE2-CG1 4.03Å; Y77-I142 HydrophobicContact CG-CG1 3.61Å; F112-I142 HydrophobicContact CD1-CD1 3.95Å; F112-I142 HydrophobicContact CD2-CD1 3.66Å; F112-I142 HydrophobicContact CE1-CD1 3.82Å; F112-I142 HydrophobicContact CE1-CG1 4.48Å; F112-I142 HydrophobicContact CE2-CD1 3.56Å; F112-I142 HydrophobicContact CG-CD1 3.86Å; F112-I142 HydrophobicContact CZ-CD1 3.62Å; L126-I142 HydrophobicContact CD2-CG2 4.2Å; A138-I142 HydrophobicContact CB-CD1 4.31Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 2.93Å; Y139-I142 HydrophobicContact CD1-CB 4.49Å; Y139-I142 HydrophobicContact CD1-CD1 3.69Å; Y139-I142 HydrophobicContact CE1-CD1 3.89Å; Y139-I142 HydrophobicContact CG-CD1 4.38Å; I142-R144 PolarHBondContact O-N 3.19Å; I142-L145 HydrophobicContact CG2-CD1 4.18Å; I142-L145 VanDerWaalsContact O-CB 3.29Å; I142-L145 WeakPolarHBondContact O-CB 3.41Å; I142-L145 WeakPolarHBondContact O-CG 3.35Å; I142-L145 PolarHBondContact O-N 3.4Å; I142-F148 HydrophobicContact CG2-CZ 4.45Å
143A96Very high97.3Very high44 Ų4448.2 Ų48.236%0.36424%0.236SC..G310 helixtrans-58.7-14.5176.300000113.4Y139 N141 L145 G146Y139-A143 VanDerWaalsContact O-CB 3.3Å; Y139-A143 WeakPolarHBondContact O-CB 3.46Å; Y139-A143 PolarHBondContact O-N 3.1Å; N141-A143 VanDerWaalsContact C-N 3.32Å; N141-A143 PolarHBondContact O-N 2.84Å; A143-L145 PolarHBondContact O-N 2.8Å; A143-G146 VanDerWaalsContact O-O 3.06Å
144R92.6Very high97.3Very high177 Ų17751.5 Ų51.567%0.66825%0.251SS*.G310 helixtrans-73.6-13.3173.2-56.4176.3-173.8166.56.4113.3N141 I142 G146N141-R144 VanDerWaalsContact O-CB 3.25Å; N141-R144 WeakPolarHBondContact O-CB 3.48Å; N141-R144 VanDerWaalsContact O-CG 3.31Å; N141-R144 WeakPolarHBondContact O-CG 3.45Å; N141-R144 PolarHBondContact O-N 3.15Å; N141-R144 VanDerWaalsContact O-N 3.14Å; N141-R144 PolarHBondContact OD1-NH2 3.36Å; N141-R144 VanDerWaalsContact OD1-NH2 3.07Å; I142-R144 PolarHBondContact O-N 3.19Å; R144-G146 VanDerWaalsContact C-N 3.26Å; R144-G146 PolarHBondContact O-N 2.87Å
145L95.8Very high97.3Very high17 Ų1751.8 Ų51.89%0.08925%0.253CS..G310 helixtrans-65.1-29.2177.6-72.7-176.7000112.7L70 Y72 F105 I142 A143 F148L70-L145 HydrophobicContact CD2-CD1 4.45Å; Y72-L145 HydrophobicContact CD1-CB 4.46Å; Y72-L145 WeakPolarHBondContact CD1-O 3.47Å; F105-L145 HydrophobicContact CB-CD2 4.33Å; F105-L145 HydrophobicContact CD2-CD2 3.56Å; F105-L145 HydrophobicContact CE2-CD2 4.15Å; F105-L145 HydrophobicContact CG-CD2 4.11Å; I142-L145 HydrophobicContact CG2-CD1 4.18Å; I142-L145 VanDerWaalsContact O-CB 3.29Å; I142-L145 WeakPolarHBondContact O-CB 3.41Å; I142-L145 WeakPolarHBondContact O-CG 3.35Å; I142-L145 PolarHBondContact O-N 3.4Å; A143-L145 PolarHBondContact O-N 2.8Å; L145-F148 HydrophobicContact CB-CE1 4.13Å; L145-F148 HydrophobicContact CB-CZ 4.28Å
146G95Very high97.3Very high28 Ų2852.7 Ų52.729%0.28926%0.262SS..  trans172.2-176.5-178.400000113.8A143 R144 F148A143-G146 VanDerWaalsContact O-O 3.06Å; R144-G146 VanDerWaalsContact C-N 3.26Å; R144-G146 PolarHBondContact O-N 2.87Å; G146-F148 PolarHBondContact O-N 2.93Å
147D95.4Very high97.3Very high152 Ų15251.3 Ų51.381%0.81326%0.259SS*.SBendtrans-91.396.2-178.6-170.422.7000110.6
148F97.3Very high97.2Very high20 Ų2051.5 Ų51.59%0.08827%0.265CS..  trans-147151.4174.948.7-101.1000110.4Y72 F120 L126 I142 L145 G146 V150Y72-F148 HydrophobicContact CD1-CD1 4.33Å; Y72-F148 HydrophobicContact CD1-CE1 4.09Å; Y72-F148 AromaticContact CD2-CD1 3.97Å; Y72-F148 HydrophobicContact CD2-CD1 3.97Å; Y72-F148 HydrophobicContact CD2-CE1 4.05Å; Y72-F148 HydrophobicContact CE1-CD1 4.1Å; Y72-F148 HydrophobicContact CE1-CE1 4.28Å; Y72-F148 AromaticContact CE2-CD1 3.71Å; Y72-F148 HydrophobicContact CE2-CD1 3.71Å; Y72-F148 HydrophobicContact CE2-CE1 4.24Å; Y72-F148 HydrophobicContact CG-CD1 4.27Å; Y72-F148 AromaticContact CG-CE1 3.96Å; Y72-F148 HydrophobicContact CG-CE1 3.96Å; Y72-F148 AromaticContact CZ-CD1 3.77Å; F120-F148 HydrophobicContact CE1-CB 4.2Å; F120-F148 AromaticContact CE1-CD1 3.87Å; F120-F148 HydrophobicContact CE1-CD1 3.87Å; F120-F148 HydrophobicContact CE1-CD2 4.01Å; F120-F148 HydrophobicContact CE1-CE1 4.23Å; F120-F148 HydrophobicContact CE1-CE2 4.37Å; F120-F148 AromaticContact CE1-CG 3.76Å; F120-F148 HydrophobicContact CE1-CG 3.76Å; F120-F148 HydrophobicContact CE1-CZ 4.47Å; F120-F148 HydrophobicContact CZ-CD1 4.02Å; F120-F148 HydrophobicContact CZ-CD2 4.41Å; F120-F148 AromaticContact CZ-CE1 3.91Å; F120-F148 HydrophobicContact CZ-CE1 3.91Å; F120-F148 HydrophobicContact CZ-CE2 4.33Å; F120-F148 HydrophobicContact CZ-CG 4.27Å; F120-F148 HydrophobicContact CZ-CZ 4.08Å; L126-F148 HydrophobicContact CB-CD2 3.76Å; L126-F148 HydrophobicContact CB-CE2 4.02Å; L126-F148 HydrophobicContact CD2-CD2 4.23Å; L126-F148 HydrophobicContact CD2-CE2 3.6Å; L126-F148 HydrophobicContact CD2-CZ 4.33Å; L126-F148 HydrophobicContact CG-CE2 4.45Å; I142-F148 HydrophobicContact CG2-CZ 4.45Å; L145-F148 HydrophobicContact CB-CE1 4.13Å; L145-F148 HydrophobicContact CB-CZ 4.28Å; G146-F148 PolarHBondContact O-N 2.93Å; F148-V150 HydrophobicContact CD2-CG2 4.05Å; F148-V150 HydrophobicContact CE2-CG2 3.94Å
149R97.3Very high97.2Very high106 Ų10656.3 Ų56.340%0.428%0.284SS..EExtended strand (participates in β ladder)trans-73.8131.9173.9-161.2177.385.1-169.8-0.9109.5S124 L126 M151 E193S124-R149 PolarHBondContact O-N 2.7Å; L126-R149 PolarHBondContact N-O 2.96Å; R149-M151 HydrophobicContact CG-SD 4.29Å; R149-M151 PolarHBondContact NE-SD 2.99Å; R149-M151 PolarHBondContact NH2-SD 3.19Å; R149-E193 IonicContact CZ-OE1 2.73Å; R149-E193 IonicContact CZ-OE2 3.59Å; R149-E193 VanDerWaalsContact CZ-OE2 3.31Å; R149-E193 IonicContact NH1-OE1 3.53Å; R149-E193 PolarHBondContact NH1-OE1 3.41Å; R149-E193 VanDerWaalsContact NH1-OE1 3.13Å; R149-E193 IonicContact NH1-OE2 2.82Å; R149-E193 PolarHBondContact NH1-OE2 2.9Å; R149-E193 IonicContact NH2-OE1 3.35Å; R149-E193 PolarHBondContact NH2-OE1 3.11Å; R149-E193 VanDerWaalsContact NH2-OE1 3.16Å; R149-E193 IonicContact NH2-OE2 3.48Å; R149-E193 PolarHBondContact NH2-OE2 2.89Å
150V98.3Very high97.2Very high34 Ų3456.2 Ų56.221%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-99.4121.6174.4-177.70000109.5L126 A128 Y139 F148 F152L126-V150 HydrophobicContact CD2-CG2 4.46Å; A128-V150 HydrophobicContact CB-CG1 3.59Å; Y139-V150 HydrophobicContact CG-CG1 4.47Å; F148-V150 HydrophobicContact CD2-CG2 4.05Å; F148-V150 HydrophobicContact CE2-CG2 3.94Å; V150-F152 HydrophobicContact CG1-CD1 4.36Å; V150-F152 HydrophobicContact CG1-CE1 4.03Å; V150-F152 HydrophobicContact CG1-CE2 4.25Å; V150-F152 HydrophobicContact CG1-CZ 3.97Å
151M98.1Very high97.3Very high6 Ų651.1 Ų51.13%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-108.1102.9-179.8-62.7-60.3-78.200109.2T125 L126 W127 A128 R149 C153 Q189 E193T125-M151 HydrophobicContact CG2-CG 3.87Å; L126-M151 WeakPolarHBondContact O-CB 3.44Å; L126-M151 PolarHBondContact O-N 2.68Å; W127-M151 HydrophobicContact CD2-CB 3.94Å; W127-M151 HydrophobicContact CD2-CG 4.44Å; W127-M151 HydrophobicContact CE3-CB 3.33Å; W127-M151 HydrophobicContact CE3-CG 4.08Å; W127-M151 HydrophobicContact CH2-CB 4.36Å; W127-M151 HydrophobicContact CH2-CE 3.9Å; W127-M151 HydrophobicContact CH2-CG 4.35Å; W127-M151 HydrophobicContact CZ3-CB 3.6Å; W127-M151 HydrophobicContact CZ3-CE 3.85Å; W127-M151 HydrophobicContact CZ3-CG 4.06Å; A128-M151 WeakPolarHBondContact CB-O 3.13Å; A128-M151 PolarHBondContact N-O 3.22Å; R149-M151 HydrophobicContact CG-SD 4.29Å; R149-M151 PolarHBondContact NE-SD 2.99Å; R149-M151 PolarHBondContact NH2-SD 3.19Å; M151-C153 PolarHBondContact O-N 3.41Å; M151-C153 PolarHBondContact O-SG 3.36Å; M151-C153 VanDerWaalsContact O-SG 3.41Å; M151-Q189 HydrophobicContact CE-CG 3.26Å; M151-Q189 PolarHBondContact SD-NE2 2.88Å; M151-Q189 VanDerWaalsContact SD-NE2 3.42Å; M151-E193 HydrophobicContact CE-CB 4.46Å; M151-E193 HydrophobicContact CE-CG 3.69Å
152F98.6Very high97.4Very high69 Ų6950.6 Ų50.630%0.30326%0.256SS..EExtended strand (participates in β ladder)trans-74.5121.9-174.7-73.4-68.3000112A128 Y130 K136 Y139 V150 Q189A128-F152 HydrophobicContact CB-CD1 4.34Å; Y130-F152 HydrophobicContact CD1-CB 4.5Å; Y130-F152 HydrophobicContact CD1-CD1 4.34Å; Y130-F152 HydrophobicContact CE1-CB 3.92Å; Y130-F152 HydrophobicContact CE1-CD1 4.37Å; K136-F152 HydrophobicContact CD-CD1 4.45Å; K136-F152 HydrophobicContact CG-CD1 3.83Å; K136-F152 HydrophobicContact CG-CE1 3.73Å; K136-F152 HydrophobicContact CG-CZ 4.48Å; Y139-F152 HydrophobicContact CD2-CD1 4.26Å; Y139-F152 AromaticContact CD2-CE1 3.82Å; Y139-F152 HydrophobicContact CD2-CE1 3.82Å; Y139-F152 AromaticContact CG-CE1 3.99Å; Y139-F152 HydrophobicContact CG-CE1 3.99Å; V150-F152 HydrophobicContact CG1-CD1 4.36Å; V150-F152 HydrophobicContact CG1-CE1 4.03Å; V150-F152 HydrophobicContact CG1-CE2 4.25Å; V150-F152 HydrophobicContact CG1-CZ 3.97Å; F152-Q189 PolarHBondContact O-OE1 3.36Å; F152-Q189 VanDerWaalsContact O-OE1 3.04Å
153C98.7Very high97.4Very high0 Ų050.7 Ų50.70%026%0.256CS..EExtended strand (participates in β ladder)trans-114.8103.8-179.3-53.80000110.1A128 G129 Y130 M151 L155 M163 F182 T186 F190A128-C153 PolarHBondContact O-N 3.34Å; G129-C153 CarbonylContact C-O 3.57Å; G129-C153 VanDerWaalsContact CA-O 3.26Å; G129-C153 WeakPolarHBondContact CA-O 3.44Å; Y130-C153 WeakPolarHBondContact CD1-O 3.39Å; Y130-C153 PolarHBondContact N-O 2.77Å; M151-C153 PolarHBondContact O-N 3.41Å; M151-C153 PolarHBondContact O-SG 3.36Å; M151-C153 VanDerWaalsContact O-SG 3.41Å; C153-L155 PolarHBondContact O-N 3.14Å; C153-M163 HydrophobicContact CB-SD 3.61Å; C153-F182 HydrophobicContact CB-CD1 4.3Å; C153-F182 HydrophobicContact CB-CE1 4.05Å; C153-T186 HydrophobicContact CB-CG2 3.83Å; C153-F190 HydrophobicContact CB-CE2 4.38Å; C153-F190 HydrophobicContact CB-CZ 4.47Å; C153-F190 WeakPolarHBondContact SG-CZ 3.32Å
154E98.8Very high97.6Very high74 Ų7448.7 Ų48.735%0.34624%0.24SC..EExtended strand (participates in β ladder)trans-81.2119.5177.5-174.3175.1-146.200110.7Y130 V156 F182 S183 T186Y130-E154 HydrophobicContact CE1-CB 3.88Å; Y130-E154 HydrophobicContact CE2-CB 3.96Å; Y130-E154 HydrophobicContact CE2-CG 3.8Å; E154-V156 HydrophobicContact CG-CG1 4.45Å; E154-F182 WeakPolarHBondContact O-CA 3.46Å; E154-S183 WeakPolarHBondContact CB-OG 3.33Å; E154-S183 PolarHBondContact O-N 3Å; E154-S183 WeakPolarHBondContact OE2-CB 3.45Å; E154-S183 PolarHBondContact OE2-OG 3.29Å; E154-S183 VanDerWaalsContact OE2-OG 3.05Å; E154-T186 PolarHBondContact N-OG1 2.76Å
155L98.8Very high97.8Very high6 Ų640.4 Ų40.43%0.03121%0.208CC..BIsolated β-bridgetrans-81.9132.2171.5-61.1170.9000109.9Y130 F132 C153 M163 A181 F182Y130-L155 PolarHBondContact O-N 2.95Å; F132-L155 HydrophobicContact CD2-CB 3.94Å; F132-L155 HydrophobicContact CE2-CB 3.79Å; C153-L155 PolarHBondContact O-N 3.14Å; L155-M163 HydrophobicContact CD1-CB 4.39Å; L155-M163 HydrophobicContact CD2-CB 4.41Å; L155-A181 CarbonylContact C-O 3.57Å; L155-A181 VanDerWaalsContact CA-O 3.31Å; L155-A181 WeakPolarHBondContact CA-O 3.19Å; L155-F182 HydrophobicContact CD2-CD1 3.91Å; L155-F182 HydrophobicContact CD2-CE1 3.51Å; L155-F182 HydrophobicContact CD2-CZ 4.2Å
156V98.6Very high98Very high80 Ų8039.6 Ų39.649%0.48520%0.204SC..  trans-115.4-11.6-176.9-610000114.1E154 A181E154-V156 HydrophobicContact CG-CG1 4.45Å; V156-A181 PolarHBondContact N-O 2.61Å
157D98.2Very high98.1Very high57 Ų5738.2 Ų38.231%0.30519%0.19SC..  trans-120.3112.3177.8-177-2.2000110.6F132 W159 Y160F132-D157 WeakPolarHBondContact CE2-O 3.49Å; D157-W159 PolarHBondContact O-N 3.14Å; D157-W159 VanDerWaalsContact O-N 3.1Å; D157-W159 WeakPolarHBondContact OD1-CB 3.37Å; D157-W159 PolarHBondContact OD1-N 3.12Å; D157-Y160 HydrophobicContact CB-CD2 4.03Å; D157-Y160 HydrophobicContact CB-CE2 4.47Å; D157-Y160 CarbonylContact O-C 3.55Å; D157-Y160 PolarHBondContact O-N 3.08Å; D157-Y160 WeakPolarHBondContact OD2-CE2 3.33Å
158S97.2Very high98.3Very high71 Ų7131 Ų3150%0.49715%0.152SC..THydrogen-bonded Turntrans-65.1-11.6-179.263.70000114.1F132 Y160F132-S158 VanDerWaalsContact CE2-CA 3.49Å; F132-S158 VanDerWaalsContact CE2-N 3.34Å; S158-Y160 PolarHBondContact O-N 3.15Å
159W97.9Very high98.3Very high101 Ų10130.8 Ų30.838%0.38315%0.152SC..THydrogen-bonded Turntrans-59.3-36168.6-163.3-102.6000111.2P21 W22 D157P21-W159 HydrophobicContact CB-CD2 4.38Å; P21-W159 HydrophobicContact CB-CE3 3.63Å; P21-W159 HydrophobicContact CB-CH2 4.16Å; P21-W159 HydrophobicContact CB-CZ3 3.52Å; P21-W159 HydrophobicContact CG-CD2 4.28Å; P21-W159 HydrophobicContact CG-CE3 3.9Å; P21-W159 HydrophobicContact CG-CZ3 4.28Å; W22-W159 AromaticContact CE2-CE2 4Å; W22-W159 AromaticContact CE2-NE1 3.66Å; W22-W159 HydrophobicContact CH2-CZ2 4.3Å; W22-W159 AromaticContact CH2-NE1 3.33Å; W22-W159 VanDerWaalsContact CH2-NE1 3.33Å; W22-W159 AromaticContact CZ2-CD1 3.46Å; W22-W159 VanDerWaalsContact CZ2-CD1 3.46Å; W22-W159 AromaticContact CZ2-CE2 3.72Å; W22-W159 HydrophobicContact CZ2-CG 4.39Å; W22-W159 HydrophobicContact CZ2-CZ2 4.29Å; W22-W159 AromaticContact CZ2-NE1 2.96Å; W22-W159 HydrophobicContact CZ3-CZ2 4.48Å; W22-W159 PolarHBondContact NE1-O 3.14Å; D157-W159 PolarHBondContact O-N 3.14Å; D157-W159 VanDerWaalsContact O-N 3.1Å; D157-W159 WeakPolarHBondContact OD1-CB 3.37Å; D157-W159 PolarHBondContact OD1-N 3.12Å
160Y98.2Very high98.4Very high0 Ų026.1 Ų26.10%014%0.135CC..SBendtrans-103.270.8173.8-47.3-76.8000108.9D157 S158 H162 M165 Y178 A181 K201 V204D157-Y160 HydrophobicContact CB-CD2 4.03Å; D157-Y160 HydrophobicContact CB-CE2 4.47Å; D157-Y160 CarbonylContact O-C 3.55Å; D157-Y160 PolarHBondContact O-N 3.08Å; D157-Y160 WeakPolarHBondContact OD2-CE2 3.33Å; S158-Y160 PolarHBondContact O-N 3.15Å; Y160-H162 PolarHBondContact O-N 3.06Å; Y160-M165 HydrophobicContact CD1-CB 4.17Å; Y160-Y178 HydrophobicContact CD2-CD1 4.24Å; Y160-Y178 HydrophobicContact CD2-CE1 4.15Å; Y160-Y178 HydrophobicContact CE1-CD1 4.33Å; Y160-Y178 HydrophobicContact CE1-CE1 4.47Å; Y160-Y178 AromaticContact CE2-CD1 3.74Å; Y160-Y178 HydrophobicContact CE2-CD1 3.74Å; Y160-Y178 AromaticContact CE2-CE1 3.31Å; Y160-Y178 HydrophobicContact CE2-CE1 3.31Å; Y160-Y178 AromaticContact CZ-CD1 3.76Å; Y160-Y178 AromaticContact CZ-CE1 3.49Å; Y160-Y178 VanDerWaalsContact CZ-CE1 3.49Å; Y160-Y178 WeakPolarHBondContact OH-CE1 3.17Å; Y160-A181 HydrophobicContact CD2-CB 3.72Å; Y160-A181 HydrophobicContact CE2-CB 4.46Å; Y160-A181 HydrophobicContact CG-CB 4.04Å; Y160-K201 VanDerWaalsContact OH-CD 3.23Å; Y160-K201 WeakPolarHBondContact OH-CD 3.18Å; Y160-K201 WeakPolarHBondContact OH-CE 3.16Å; Y160-K201 PolarHBondContact OH-NZ 3.16Å; Y160-K201 VanDerWaalsContact OH-NZ 3.17Å; Y160-V204 HydrophobicContact CD1-CG2 4.17Å; Y160-V204 HydrophobicContact CE1-CB 4.38Å; Y160-V204 HydrophobicContact CE1-CG1 3.78Å; Y160-V204 HydrophobicContact CE1-CG2 3.69Å; Y160-V204 WeakPolarHBondContact OH-CG1 3.46Å
161Y98Very high98.3Very high19 Ų1926.2 Ų26.28%0.07514%0.138CC..  trans-64.8-20.9-170.264.7-87.9000113.9N20 W22 R133 M165 G250N20-Y161 HydrophobicContact CB-CD1 3.68Å; N20-Y161 HydrophobicContact CB-CD2 4.42Å; N20-Y161 HydrophobicContact CB-CE1 3.6Å; N20-Y161 HydrophobicContact CB-CE2 4.32Å; N20-Y161 HydrophobicContact CB-CG 4.1Å; N20-Y161 PolarHBondContact ND2-OH 3.42Å; W22-Y161 AromaticContact CD1-CE1 3.83Å; R133-Y161 HydrophobicContact CG-CD2 3.9Å; R133-Y161 WeakPolarHBondContact CG-O 3.49Å; Y161-M165 HydrophobicContact CD1-SD 3.39Å; Y161-M165 WeakPolarHBondContact CD1-SD 3.41Å; Y161-M165 HydrophobicContact CE1-CE 4.15Å; Y161-M165 HydrophobicContact CE1-SD 3.22Å; Y161-M165 WeakPolarHBondContact CE1-SD 3.43Å; Y161-M165 HydrophobicContact CG-SD 4.22Å; Y161-G250 PolarHBondContact OH-O 2.99Å
162H98.6Very high98.2Very high1 Ų129.4 Ų29.41%0.00516%0.161CC..SBendtrans-121.3151.6171.5-81.8160.9000110.9E113 G116 D117 R133 Y160 D164 M165E113-H162 VanDerWaalsContact CB-NE2 3.3Å; E113-H162 WeakPolarHBondContact CB-NE2 3.31Å; E113-H162 IonicContact OE2-CE1 3.31Å; E113-H162 PolarHBondContact OE2-CE1 3.03Å; E113-H162 IonicContact OE2-NE2 2.87Å; E113-H162 PolarHBondContact OE2-NE2 3.01Å; G116-H162 WeakPolarHBondContact O-CB 2.98Å; D117-H162 WeakPolarHBondContact OD1-CA 3.33Å; D117-H162 IonicContact OD1-CD2 2.96Å; D117-H162 IonicContact OD2-CD2 2.7Å; R133-H162 WeakPolarHBondContact CB-CD2 3.28Å; R133-H162 VanDerWaalsContact CB-NE2 3.3Å; R133-H162 WeakPolarHBondContact CB-NE2 3.31Å; R133-H162 WeakPolarHBondContact CG-CD2 3.42Å; R133-H162 VanDerWaalsContact CG-NE2 3.34Å; R133-H162 WeakPolarHBondContact CG-NE2 3.25Å; Y160-H162 PolarHBondContact O-N 3.06Å; H162-D164 VanDerWaalsContact C-N 3.31Å; H162-D164 VanDerWaalsContact CB-OD1 3.24Å; H162-D164 WeakPolarHBondContact CB-OD1 3.28Å; H162-D164 PolarHBondContact O-N 3.45Å; H162-M165 HydrophobicContact CB-CG 4.33Å; H162-M165 WeakPolarHBondContact O-CB 3.28Å; H162-M165 PolarHBondContact O-N 3.02Å
163M98.7Very high98.1Very high2 Ų230.2 Ų30.21%0.0117%0.168CC..G310 helixtrans-66.4-31178.4-172.3177.567.900113.2G116 D117 V119 W127 C153 L155 M165 C166 L167 F182G116-M163 PolarHBondContact O-N 3.16Å; D117-M163 VanDerWaalsContact O-CE 3.3Å; D117-M163 WeakPolarHBondContact O-CE 3.3Å; D117-M163 PolarHBondContact OD1-N 3.13Å; D117-M163 VanDerWaalsContact OD1-N 3.07Å; V119-M163 HydrophobicContact CG1-CE 3.83Å; W127-M163 HydrophobicContact CB-CE 4Å; W127-M163 HydrophobicContact CB-SD 4.46Å; W127-M163 WeakPolarHBondContact O-CE 3.3Å; C153-M163 HydrophobicContact CB-SD 3.61Å; L155-M163 HydrophobicContact CD1-CB 4.39Å; L155-M163 HydrophobicContact CD2-CB 4.41Å; M163-M165 PolarHBondContact O-N 3.31Å; M163-M165 VanDerWaalsContact O-N 3.09Å; M163-C166 CarbonylContact O-C 3.51Å; M163-C166 PolarHBondContact O-N 3.49Å; M163-C166 PolarHBondContact O-SG 3.33Å; M163-L167 HydrophobicContact CE-CD2 3.98Å; M163-L167 HydrophobicContact CG-CB 4.01Å; M163-L167 HydrophobicContact CG-CD2 4.13Å; M163-L167 PolarHBondContact O-N 3.15Å; M163-L167 HydrophobicContact SD-CD2 3.82Å; M163-F182 HydrophobicContact CG-CE1 3.99Å; M163-F182 HydrophobicContact CG-CZ 4.03Å; M163-F182 HydrophobicContact SD-CE1 4.49Å
164D98.5Very high98.1Very high3 Ų330.9 Ų30.92%0.01617%0.172CC..G310 helixtrans-67.4-4.8176.775.6-16000114.1G116 H162 C209 N210 Q254 C255G116-D164 PolarHBondContact O-N 3.4Å; H162-D164 VanDerWaalsContact C-N 3.31Å; H162-D164 VanDerWaalsContact CB-OD1 3.24Å; H162-D164 WeakPolarHBondContact CB-OD1 3.28Å; H162-D164 PolarHBondContact O-N 3.45Å; D164-C209 CarbonylContact O-C 3.56Å; D164-N210 VanDerWaalsContact CG-ND2 3.27Å; D164-N210 WeakPolarHBondContact O-CA 3.43Å; D164-N210 PolarHBondContact O-N 3.26Å; D164-N210 PolarHBondContact O-ND2 3.28Å; D164-N210 VanDerWaalsContact O-ND2 3.08Å; D164-N210 PolarHBondContact OD2-ND2 3.41Å; D164-N210 VanDerWaalsContact OD2-ND2 3.15Å; D164-Q254 HydrophobicContact CB-CG 4.33Å; D164-C255 PolarHBondContact OD2-SG 3.13Å
165M98.5Very high98.1Very high2 Ų227.4 Ų27.41%0.0116%0.155CC..G310 helixtrans-83.5-18.6169.1-57.5-165.369.100112.9W22 Y160 Y161 H162 M163 V204 F207 C209W22-M165 HydrophobicContact CD2-CE 4.24Å; W22-M165 VanDerWaalsContact CE2-CE 3.46Å; W22-M165 HydrophobicContact CG-CE 4.32Å; W22-M165 HydrophobicContact CZ2-CE 3.85Å; Y160-M165 HydrophobicContact CD1-CB 4.17Å; Y161-M165 HydrophobicContact CD1-SD 3.39Å; Y161-M165 WeakPolarHBondContact CD1-SD 3.41Å; Y161-M165 HydrophobicContact CE1-CE 4.15Å; Y161-M165 HydrophobicContact CE1-SD 3.22Å; Y161-M165 WeakPolarHBondContact CE1-SD 3.43Å; Y161-M165 HydrophobicContact CG-SD 4.22Å; H162-M165 HydrophobicContact CB-CG 4.33Å; H162-M165 WeakPolarHBondContact O-CB 3.28Å; H162-M165 PolarHBondContact O-N 3.02Å; M163-M165 PolarHBondContact O-N 3.31Å; M163-M165 VanDerWaalsContact O-N 3.09Å; M165-V204 WeakPolarHBondContact O-CG2 3.37Å; M165-F207 HydrophobicContact CE-CD1 4.25Å; M165-F207 HydrophobicContact CE-CE1 3.53Å; M165-F207 HydrophobicContact CE-CZ 3.91Å; M165-C209 WeakPolarHBondContact O-CB 3.3Å
166C98.6Very high98.1Very high0 Ų027.1 Ų27.10%015%0.154CC..THydrogen-bonded Turntrans-134.40.1-17154.40000114M163 W177 Y178 A181 F182 C209M163-C166 CarbonylContact O-C 3.51Å; M163-C166 PolarHBondContact O-N 3.49Å; M163-C166 PolarHBondContact O-SG 3.33Å; C166-W177 CarbonylContact O-C 2.93Å; C166-W177 WeakPolarHBondContact O-CA 2.94Å; C166-Y178 PolarHBondContact O-N 3.1Å; C166-A181 HydrophobicContact CB-CB 3.55Å; C166-F182 HydrophobicContact CB-CE2 4.03Å; C166-F182 HydrophobicContact CB-CZ 4.18Å; C166-F182 WeakPolarHBondContact SG-CZ 3.48Å; C166-C209 VanDerWaalsContact C-SG 3.57Å
167L98.7Very high98.1Very high0 Ų023.3 Ų23.30%013%0.13CC..EExtended strand (participates in β ladder)trans-140.7129.1174.9-176.975.1000111.9V119 W127 M163 A175 L176 W177 F182 F190V119-L167 HydrophobicContact CG1-CD2 4.21Å; W127-L167 HydrophobicContact CB-CD2 4.03Å; W127-L167 HydrophobicContact CG-CD2 4.25Å; M163-L167 HydrophobicContact CE-CD2 3.98Å; M163-L167 HydrophobicContact CG-CB 4.01Å; M163-L167 HydrophobicContact CG-CD2 4.13Å; M163-L167 PolarHBondContact O-N 3.15Å; M163-L167 HydrophobicContact SD-CD2 3.82Å; L167-A175 HydrophobicContact CD1-CB 4.05Å; L167-L176 WeakPolarHBondContact CA-O 3.25Å; L167-W177 HydrophobicContact CD1-CB 3.98Å; L167-F182 HydrophobicContact CB-CZ 4.09Å; L167-F190 HydrophobicContact CD1-CD1 4.34Å; L167-F190 HydrophobicContact CD1-CE1 3.55Å; L167-F190 HydrophobicContact CD1-CZ 3.69Å; L167-F190 HydrophobicContact CD2-CE1 3.89Å; L167-F190 HydrophobicContact CD2-CZ 3.64Å; L167-F190 HydrophobicContact CG-CE1 4.38Å; L167-F190 HydrophobicContact CG-CZ 4.26Å
168C98.6Very high98.1Very high0 Ų021.7 Ų21.70%012%0.12CC..EExtended strand (participates in β ladder)trans-132.1102.5170.4-171.90000110.6L170 A175 L176 C209 A211C168-L170 PolarHBondContact O-N 3.29Å; C168-A175 CarbonylContact O-C 3.54Å; C168-A175 VanDerWaalsContact O-CA 3.29Å; C168-A175 WeakPolarHBondContact O-CA 3.45Å; C168-L176 HydrophobicContact CB-CB 4Å; C168-L176 HydrophobicContact CB-CD1 4.11Å; C168-L176 HydrophobicContact CB-CG 4.28Å; C168-L176 PolarHBondContact N-O 3.32Å; C168-L176 PolarHBondContact O-N 3.2Å; C168-C209 VanDerWaalsContact CB-O 3.3Å; C168-C209 WeakPolarHBondContact CB-O 3.34Å; C168-A211 VanDerWaalsContact SG-C 3.52Å; C168-A211 PolarHBondContact SG-O 2.89Å
169P98.1Very high98.1Very high15 Ų1519.1 Ų19.110%0.09710%0.102CC..EExtended strand (participates in β ladder)trans-63.3123.9169.2-20.833.5000110.8V119V119-P169 HydrophobicContact CG1-CG 3.73Å; V119-P169 HydrophobicContact CG2-CG 4.1Å
170L97.9Very high98.2Very high8 Ų818.6 Ų18.64%0.04211%0.107CC..SBendtrans-93.5-29.2175.2-59-175.5000111.8C168 L174 L176 I197 A213 V218 I231 F236C168-L170 PolarHBondContact O-N 3.29Å; L170-L174 HydrophobicContact CB-CD2 4.41Å; L170-L174 HydrophobicContact CB-CG 4.48Å; L170-L174 HydrophobicContact CD1-CD2 4.06Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 PolarHBondContact N-O 3.19Å; L170-L176 HydrophobicContact CD1-CD2 3.93Å; L170-L176 HydrophobicContact CD1-CG 4.03Å; L170-L176 HydrophobicContact CD2-CD1 4.31Å; L170-L176 HydrophobicContact CD2-CG 4.11Å; L170-L176 HydrophobicContact CG-CG 4.16Å; L170-I197 HydrophobicContact CD1-CD1 4.12Å; L170-A213 HydrophobicContact CD2-CB 4.37Å; L170-A213 WeakPolarHBondContact O-CB 3.48Å; L170-V218 HydrophobicContact CD2-CG1 4.18Å; L170-V218 HydrophobicContact CD2-CG2 3.87Å; L170-I231 HydrophobicContact CD1-CG1 4.23Å; L170-F236 HydrophobicContact CB-CE1 4.16Å; L170-F236 HydrophobicContact CB-CE2 4.43Å; L170-F236 HydrophobicContact CB-CZ 3.85Å
171S96.7Very high98.2Very high37 Ų3718.6 Ų18.626%0.25911%0.107SC..SBendtrans-149.4-169174.459.90000110.1D173 L174S171-D173 WeakPolarHBondContact CB-OD1 3.45Å; S171-D173 PolarHBondContact O-N 2.7Å; S171-D173 PolarHBondContact OG-N 2.79Å; S171-D173 PolarHBondContact OG-OD1 2.79Å; S171-L174 PolarHBondContact N-O 3.05Å; S171-L174 VanDerWaalsContact N-O 3.16Å; S171-L174 VanDerWaalsContact OG-CB 3.3Å; S171-L174 WeakPolarHBondContact OG-CB 3.48Å; S171-L174 PolarHBondContact OG-N 2.99Å
172S96.4Very high98.2Very high73 Ų7317.9 Ų17.951%0.5110%0.104SC..SBendtrans-66-20173.947.30000114S121S121-S172 VanDerWaalsContact O-CA 3.3Å; S121-S172 WeakPolarHBondContact O-CA 3.47Å; S121-S172 PolarHBondContact O-N 2.99Å
173D96.3Very high98.2Very high86 Ų8618.4 Ų18.446%0.4611%0.108SC..SBendtrans-132.4-10.4-168.854.3-5.8000114S171 M194 D195S171-D173 WeakPolarHBondContact CB-OD1 3.45Å; S171-D173 PolarHBondContact O-N 2.7Å; S171-D173 PolarHBondContact OG-N 2.79Å; S171-D173 PolarHBondContact OG-OD1 2.79Å; D173-M194 VanDerWaalsContact C-CE 3.5Å; D173-M194 CarbonylContact O-C 3.48Å; D173-M194 WeakPolarHBondContact O-CA 3.36Å; D173-D195 PolarHBondContact O-N 3.04Å
174L98Very high98.2Very high14 Ų1423.9 Ų23.97%0.07314%0.141CC..EExtended strand (participates in β ladder)trans-120.5136.7177.6-175.468.9000111.5L170 S171 D195 I197 H234 F236L170-L174 HydrophobicContact CB-CD2 4.41Å; L170-L174 HydrophobicContact CB-CG 4.48Å; L170-L174 HydrophobicContact CD1-CD2 4.06Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 PolarHBondContact N-O 3.19Å; S171-L174 PolarHBondContact N-O 3.05Å; S171-L174 VanDerWaalsContact N-O 3.16Å; S171-L174 VanDerWaalsContact OG-CB 3.3Å; S171-L174 WeakPolarHBondContact OG-CB 3.48Å; S171-L174 PolarHBondContact OG-N 2.99Å; L174-D195 WeakPolarHBondContact CA-O 3.38Å; L174-D195 HydrophobicContact CD1-CB 3.69Å; L174-I197 HydrophobicContact CD1-CD1 4.2Å; L174-I197 HydrophobicContact CD1-CG1 4.07Å; L174-I197 HydrophobicContact CD2-CD1 4.17Å; L174-I197 HydrophobicContact CG-CD1 4.37Å; L174-H234 HydrophobicContact CD2-CB 4.12Å; L174-F236 HydrophobicContact CD2-CE2 3.75Å; L174-F236 HydrophobicContact CD2-CZ 4.37Å
175A98.6Very high98.2Very high0 Ų030 Ų300%017%0.174CC..EExtended strand (participates in β ladder)trans-139.8147.4173.400000113.2L167 C168 M194 D195 L196 I197L167-A175 HydrophobicContact CD1-CB 4.05Å; C168-A175 CarbonylContact O-C 3.54Å; C168-A175 VanDerWaalsContact O-CA 3.29Å; C168-A175 WeakPolarHBondContact O-CA 3.45Å; A175-M194 HydrophobicContact CB-CE 3.92Å; A175-M194 HydrophobicContact CB-SD 3.9Å; A175-D195 PolarHBondContact N-O 3.38Å; A175-L196 HydrophobicContact CB-CD2 4.41Å; A175-I197 PolarHBondContact O-N 3.42Å
176L98.7Very high98.2Very high0 Ų030 Ų300%017%0.174CC..EExtended strand (participates in β ladder)trans-75.6138.3156.2-51175.6000108.1L167 C168 L170 I197 V199 V227 I231L167-L176 WeakPolarHBondContact CA-O 3.25Å; C168-L176 HydrophobicContact CB-CB 4Å; C168-L176 HydrophobicContact CB-CD1 4.11Å; C168-L176 HydrophobicContact CB-CG 4.28Å; C168-L176 PolarHBondContact N-O 3.32Å; C168-L176 PolarHBondContact O-N 3.2Å; L170-L176 HydrophobicContact CD1-CD2 3.93Å; L170-L176 HydrophobicContact CD1-CG 4.03Å; L170-L176 HydrophobicContact CD2-CD1 4.31Å; L170-L176 HydrophobicContact CD2-CG 4.11Å; L170-L176 HydrophobicContact CG-CG 4.16Å; L176-I197 WeakPolarHBondContact CA-O 3.24Å; L176-I197 HydrophobicContact CD2-CB 3.79Å; L176-I197 HydrophobicContact CD2-CD1 3.96Å; L176-I197 HydrophobicContact CD2-CG1 4.47Å; L176-I197 HydrophobicContact CD2-CG2 3.73Å; L176-V199 HydrophobicContact CB-CG2 3.93Å; L176-V227 HydrophobicContact CD1-CG1 3.67Å; L176-V227 HydrophobicContact CD2-CG1 3.99Å; L176-V227 HydrophobicContact CG-CG1 4.48Å; L176-I231 HydrophobicContact CD1-CD1 4.19Å; L176-I231 HydrophobicContact CD2-CD1 4.45Å; L176-I231 HydrophobicContact CD2-CG1 4.1Å
177W98.7Very high98.2Very high0 Ų032.5 Ų32.50%019%0.185CC..EExtended strand (participates in β ladder)trans-152.1151173.280.1-38.4000113.2C166 L167 P179 F182 K187 F190 K191 L196 I197 E198 V199C166-W177 CarbonylContact O-C 2.93Å; C166-W177 WeakPolarHBondContact O-CA 2.94Å; L167-W177 HydrophobicContact CD1-CB 3.98Å; W177-P179 HydrophobicContact CD2-CB 4.42Å; W177-P179 HydrophobicContact CE3-CB 4.47Å; W177-P179 HydrophobicContact CH2-CB 3.88Å; W177-P179 HydrophobicContact CZ2-CB 3.78Å; W177-P179 HydrophobicContact CZ3-CB 4.22Å; W177-F182 HydrophobicContact CE3-CD2 4.05Å; W177-F182 HydrophobicContact CE3-CE2 4.34Å; W177-F182 HydrophobicContact CZ3-CD2 4.42Å; W177-K187 HydrophobicContact CH2-CB 4.2Å; W177-K187 HydrophobicContact CH2-CG 4.11Å; W177-K187 HydrophobicContact CZ3-CB 4.44Å; W177-K187 HydrophobicContact CZ3-CG 4.15Å; W177-F190 HydrophobicContact CE3-CB 4.16Å; W177-F190 AromaticContact CE3-CD2 3.82Å; W177-F190 HydrophobicContact CE3-CD2 3.82Å; W177-F190 HydrophobicContact CE3-CE2 4.47Å; W177-F190 HydrophobicContact CE3-CG 4.07Å; W177-F190 HydrophobicContact CH2-CB 4.32Å; W177-F190 HydrophobicContact CZ3-CB 3.83Å; W177-F190 AromaticContact CZ3-CD2 3.77Å; W177-F190 HydrophobicContact CZ3-CD2 3.77Å; W177-F190 HydrophobicContact CZ3-CG 4.08Å; W177-K191 HydrophobicContact CH2-CG 4.47Å; W177-L196 HydrophobicContact CD2-CD1 4.23Å; W177-L196 HydrophobicContact CD2-CD2 3.98Å; W177-L196 HydrophobicContact CG-CD2 3.92Å; W177-L196 HydrophobicContact CH2-CD1 4.11Å; W177-L196 HydrophobicContact CZ2-CD1 3.62Å; W177-I197 PolarHBondContact N-O 3.43Å; W177-E198 VanDerWaalsContact NE1-CG 3.28Å; W177-V199 PolarHBondContact O-N 3.23Å
178Y98.8Very high98.2Very high23 Ų2335.3 Ų35.39%0.0921%0.209CC..  trans-105104.6168.2176.2-109.9000108.8Y160 C166 D180 A181 F182 V199 K201 V204Y160-Y178 HydrophobicContact CD2-CD1 4.24Å; Y160-Y178 HydrophobicContact CD2-CE1 4.15Å; Y160-Y178 HydrophobicContact CE1-CD1 4.33Å; Y160-Y178 HydrophobicContact CE1-CE1 4.47Å; Y160-Y178 AromaticContact CE2-CD1 3.74Å; Y160-Y178 HydrophobicContact CE2-CD1 3.74Å; Y160-Y178 AromaticContact CE2-CE1 3.31Å; Y160-Y178 HydrophobicContact CE2-CE1 3.31Å; Y160-Y178 AromaticContact CZ-CD1 3.76Å; Y160-Y178 AromaticContact CZ-CE1 3.49Å; Y160-Y178 VanDerWaalsContact CZ-CE1 3.49Å; Y160-Y178 WeakPolarHBondContact OH-CE1 3.17Å; C166-Y178 PolarHBondContact O-N 3.1Å; Y178-D180 VanDerWaalsContact C-N 3.3Å; Y178-D180 HydrophobicContact CD1-CB 4.48Å; Y178-D180 HydrophobicContact CE1-CB 3.67Å; Y178-D180 HydrophobicContact CE2-CB 4.37Å; Y178-D180 PolarHBondContact O-N 2.82Å; Y178-A181 HydrophobicContact CD1-CB 3.88Å; Y178-A181 HydrophobicContact CE1-CB 4.45Å; Y178-A181 PolarHBondContact O-N 2.79Å; Y178-F182 WeakPolarHBondContact O-CD2 3.41Å; Y178-V199 WeakPolarHBondContact CD2-O 3.3Å; Y178-K201 HydrophobicContact CE2-CB 4.45Å; Y178-K201 HydrophobicContact CE2-CD 4.3Å; Y178-V204 HydrophobicContact CD1-CG1 4.2Å; Y178-V204 HydrophobicContact CD1-CG2 4.33Å; Y178-V204 HydrophobicContact CD2-CB 4.14Å; Y178-V204 HydrophobicContact CD2-CG1 3.72Å; Y178-V204 HydrophobicContact CE1-CG1 4.47Å; Y178-V204 HydrophobicContact CE2-CG1 3.99Å; Y178-V204 HydrophobicContact CG-CB 4.03Å; Y178-V204 HydrophobicContact CG-CG1 3.83Å; Y178-V204 HydrophobicContact CG-CG2 3.93Å
179P98.4Very high98.1Very high18 Ų1837.9 Ų37.912%0.11722%0.221CC..G310 helixtrans-61.7-37-168.420.8-31.9000112.7W177 A181 F182 K187 E198W177-P179 HydrophobicContact CD2-CB 4.42Å; W177-P179 HydrophobicContact CE3-CB 4.47Å; W177-P179 HydrophobicContact CH2-CB 3.88Å; W177-P179 HydrophobicContact CZ2-CB 3.78Å; W177-P179 HydrophobicContact CZ3-CB 4.22Å; P179-A181 PolarHBondContact O-N 2.97Å; P179-A181 VanDerWaalsContact O-N 3.13Å; P179-F182 PolarHBondContact O-N 3.43Å; P179-K187 WeakPolarHBondContact O-CE 3.48Å; P179-E198 HydrophobicContact CG-CG 4.42Å
180D98.6Very high98.1Very high90 Ų9037.2 Ų37.248%0.48122%0.216SC..G310 helixtrans-72.2-7.2-171.6-69.2-20.6000115Y178 F182 K187Y178-D180 VanDerWaalsContact C-N 3.3Å; Y178-D180 HydrophobicContact CD1-CB 4.48Å; Y178-D180 HydrophobicContact CE1-CB 3.67Å; Y178-D180 HydrophobicContact CE2-CB 4.37Å; Y178-D180 PolarHBondContact O-N 2.82Å; D180-F182 VanDerWaalsContact C-N 3.26Å; D180-K187 IonicContact OD1-NZ 2.92Å; D180-K187 PolarHBondContact OD1-NZ 3.48Å
181A98.5Very high98.1Very high0 Ų043.2 Ų43.20%024%0.242CC..G310 helixtrans-75.9-11.6167.600000113.6L155 V156 Y160 C166 Y178 P179L155-A181 CarbonylContact C-O 3.57Å; L155-A181 VanDerWaalsContact CA-O 3.31Å; L155-A181 WeakPolarHBondContact CA-O 3.19Å; V156-A181 PolarHBondContact N-O 2.61Å; Y160-A181 HydrophobicContact CD2-CB 3.72Å; Y160-A181 HydrophobicContact CE2-CB 4.46Å; Y160-A181 HydrophobicContact CG-CB 4.04Å; C166-A181 HydrophobicContact CB-CB 3.55Å; Y178-A181 HydrophobicContact CD1-CB 3.88Å; Y178-A181 HydrophobicContact CE1-CB 4.45Å; Y178-A181 PolarHBondContact O-N 2.79Å; P179-A181 PolarHBondContact O-N 2.97Å; P179-A181 VanDerWaalsContact O-N 3.13Å
182F98.8Very high98.1Very high3 Ų345.5 Ų45.51%0.01326%0.258CS..BIsolated β-bridgetrans-115.7150-169.2-63.4-70.9000114.5C153 E154 L155 M163 C166 L167 W177 Y178 P179 D180 T186 K187 F190C153-F182 HydrophobicContact CB-CD1 4.3Å; C153-F182 HydrophobicContact CB-CE1 4.05Å; E154-F182 WeakPolarHBondContact O-CA 3.46Å; L155-F182 HydrophobicContact CD2-CD1 3.91Å; L155-F182 HydrophobicContact CD2-CE1 3.51Å; L155-F182 HydrophobicContact CD2-CZ 4.2Å; M163-F182 HydrophobicContact CG-CE1 3.99Å; M163-F182 HydrophobicContact CG-CZ 4.03Å; M163-F182 HydrophobicContact SD-CE1 4.49Å; C166-F182 HydrophobicContact CB-CE2 4.03Å; C166-F182 HydrophobicContact CB-CZ 4.18Å; C166-F182 WeakPolarHBondContact SG-CZ 3.48Å; L167-F182 HydrophobicContact CB-CZ 4.09Å; W177-F182 HydrophobicContact CE3-CD2 4.05Å; W177-F182 HydrophobicContact CE3-CE2 4.34Å; W177-F182 HydrophobicContact CZ3-CD2 4.42Å; Y178-F182 WeakPolarHBondContact O-CD2 3.41Å; P179-F182 PolarHBondContact O-N 3.43Å; D180-F182 VanDerWaalsContact C-N 3.26Å; F182-T186 HydrophobicContact CB-CG2 3.77Å; F182-T186 HydrophobicContact CD1-CG2 3.61Å; F182-T186 HydrophobicContact CE1-CG2 4.45Å; F182-T186 HydrophobicContact CG-CG2 3.88Å; F182-K187 HydrophobicContact CB-CG 4.28Å; F182-K187 VanDerWaalsContact O-CE 3.32Å; F182-K187 WeakPolarHBondContact O-CE 3.18Å; F182-F190 HydrophobicContact CD1-CE2 4.28Å; F182-F190 HydrophobicContact CD2-CE2 4.45Å; F182-F190 HydrophobicContact CE1-CE2 4.19Å; F182-F190 HydrophobicContact CE2-CE2 4.37Å; F182-F190 HydrophobicContact CG-CE2 4.39Å; F182-F190 HydrophobicContact CZ-CE2 4.24Å
183S98.7Very high98.1Very high13 Ų1345.9 Ų45.99%0.09125%0.251CS..  trans-64.8162.2174.678.90000112.8E154 D185 T186 K187E154-S183 WeakPolarHBondContact CB-OG 3.33Å; E154-S183 PolarHBondContact O-N 3Å; E154-S183 WeakPolarHBondContact OE2-CB 3.45Å; E154-S183 PolarHBondContact OE2-OG 3.29Å; E154-S183 VanDerWaalsContact OE2-OG 3.05Å; S183-D185 VanDerWaalsContact C-N 3.3Å; S183-D185 PolarHBondContact O-N 3.38Å; S183-T186 WeakPolarHBondContact O-CB 3.19Å; S183-T186 PolarHBondContact O-N 3.05Å; S183-T186 PolarHBondContact OG-N 2.86Å; S183-T186 PolarHBondContact OG-OG1 3.07Å; S183-K187 WeakPolarHBondContact O-CG 3.43Å; S183-K187 PolarHBondContact O-N 2.73Å
184V98.6Very high98.2Very high116 Ų11642.4 Ų42.470%0.70323%0.232SC*.Hα-helixtrans-57.8-43.2-179.9175.70000111.7K187 A188V184-K187 WeakPolarHBondContact O-CB 3.37Å; V184-K187 PolarHBondContact O-N 3.04Å; V184-A188 PolarHBondContact O-N 3.14Å
185D98.4Very high98.2Very high131 Ų13147.2 Ų47.270%0.70126%0.258SS*.Hα-helixtrans-65.8-40.7178.8-67.6-18.3000111.2S183 A188 Q189S183-D185 VanDerWaalsContact C-N 3.3Å; S183-D185 PolarHBondContact O-N 3.38Å; D185-A188 PolarHBondContact O-N 3.38Å; D185-Q189 WeakPolarHBondContact O-CB 3.18Å; D185-Q189 PolarHBondContact O-N 3.08Å
186T98.4Very high98.2Very high4 Ų449.3 Ų49.33%0.02527%0.269CS..Hα-helixtrans-63.5-43.2175.4-56.10000111.3C153 E154 F182 S183 A188 Q189 F190C153-T186 HydrophobicContact CB-CG2 3.83Å; E154-T186 PolarHBondContact N-OG1 2.76Å; F182-T186 HydrophobicContact CB-CG2 3.77Å; F182-T186 HydrophobicContact CD1-CG2 3.61Å; F182-T186 HydrophobicContact CE1-CG2 4.45Å; F182-T186 HydrophobicContact CG-CG2 3.88Å; S183-T186 WeakPolarHBondContact O-CB 3.19Å; S183-T186 PolarHBondContact O-N 3.05Å; S183-T186 PolarHBondContact OG-N 2.86Å; S183-T186 PolarHBondContact OG-OG1 3.07Å; T186-A188 VanDerWaalsContact C-N 3.35Å; T186-A188 PolarHBondContact O-N 3.23Å; T186-Q189 PolarHBondContact O-N 2.87Å; T186-F190 HydrophobicContact CG2-CD2 3.72Å; T186-F190 HydrophobicContact CG2-CE2 3.5Å; T186-F190 VanDerWaalsContact CG2-CE2 3.5Å; T186-F190 VanDerWaalsContact O-CD2 3.32Å; T186-F190 WeakPolarHBondContact O-CD2 3.48Å; T186-F190 PolarHBondContact O-N 2.99Å
187K98.7Very high98.2Very high51 Ų5150 Ų5022%0.22227%0.273CS..Hα-helixtrans-59-44.4174.9-73.2174.2173.2-173.50111.6W177 P179 D180 F182 S183 V184 Q189 K191W177-K187 HydrophobicContact CH2-CB 4.2Å; W177-K187 HydrophobicContact CH2-CG 4.11Å; W177-K187 HydrophobicContact CZ3-CB 4.44Å; W177-K187 HydrophobicContact CZ3-CG 4.15Å; P179-K187 WeakPolarHBondContact O-CE 3.48Å; D180-K187 IonicContact OD1-NZ 2.92Å; D180-K187 PolarHBondContact OD1-NZ 3.48Å; F182-K187 HydrophobicContact CB-CG 4.28Å; F182-K187 VanDerWaalsContact O-CE 3.32Å; F182-K187 WeakPolarHBondContact O-CE 3.18Å; S183-K187 WeakPolarHBondContact O-CG 3.43Å; S183-K187 PolarHBondContact O-N 2.73Å; V184-K187 WeakPolarHBondContact O-CB 3.37Å; V184-K187 PolarHBondContact O-N 3.04Å; K187-Q189 VanDerWaalsContact C-N 3.35Å; K187-K191 WeakPolarHBondContact O-CG 3.32Å; K187-K191 PolarHBondContact O-N 3.4Å
188A98.3Very high98.2Very high60 Ų6055.9 Ų55.950%0.49630%0.3SS..Hα-helixtrans-64.2-41.8177.400000111.4V184 D185 T186 K191 S192V184-A188 PolarHBondContact O-N 3.14Å; D185-A188 PolarHBondContact O-N 3.38Å; T186-A188 VanDerWaalsContact C-N 3.35Å; T186-A188 PolarHBondContact O-N 3.23Å; A188-K191 PolarHBondContact O-N 3.26Å; A188-S192 PolarHBondContact O-N 3.22Å; A188-S192 PolarHBondContact O-OG 3.01Å
189Q97.5Very high98.1Very high54 Ų5455.1 Ų55.125%0.25230%0.298SS..Hα-helixtrans-63.1-47.9179-173.4174.44300112.4M151 F152 D185 T186 K187 K191 S192 E193M151-Q189 HydrophobicContact CE-CG 3.26Å; M151-Q189 PolarHBondContact SD-NE2 2.88Å; M151-Q189 VanDerWaalsContact SD-NE2 3.42Å; F152-Q189 PolarHBondContact O-OE1 3.36Å; F152-Q189 VanDerWaalsContact O-OE1 3.04Å; D185-Q189 WeakPolarHBondContact O-CB 3.18Å; D185-Q189 PolarHBondContact O-N 3.08Å; T186-Q189 PolarHBondContact O-N 2.87Å; K187-Q189 VanDerWaalsContact C-N 3.35Å; Q189-K191 PolarHBondContact O-N 3.21Å; Q189-S192 PolarHBondContact O-N 3.39Å; Q189-S192 VanDerWaalsContact O-N 3.16Å; Q189-S192 PolarHBondContact O-OG 2.79Å; Q189-E193 VanDerWaalsContact O-CG 3.26Å; Q189-E193 WeakPolarHBondContact O-CG 3.4Å; Q189-E193 PolarHBondContact O-N 3.42Å
190F97.6Very high98.1Very high0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-56.9-48.2175.8-85.2-63.1000111.9W127 C153 L167 W177 F182 T186 S192 E193 M194 L196W127-F190 AromaticContact CD2-CE1 3.67Å; W127-F190 HydrophobicContact CD2-CE1 3.67Å; W127-F190 HydrophobicContact CD2-CZ 4.25Å; W127-F190 AromaticContact CE3-CD1 3.98Å; W127-F190 HydrophobicContact CE3-CD1 3.98Å; W127-F190 AromaticContact CE3-CE1 3.26Å; W127-F190 HydrophobicContact CE3-CE1 3.26Å; W127-F190 AromaticContact CE3-CZ 3.63Å; W127-F190 HydrophobicContact CE3-CZ 3.63Å; W127-F190 HydrophobicContact CG-CE1 4.47Å; W127-F190 AromaticContact CH2-CD1 3.6Å; W127-F190 HydrophobicContact CH2-CD1 3.6Å; W127-F190 AromaticContact CH2-CE1 3.73Å; W127-F190 HydrophobicContact CH2-CE1 3.73Å; W127-F190 HydrophobicContact CZ2-CD1 4.2Å; W127-F190 HydrophobicContact CZ2-CE1 4.11Å; W127-F190 AromaticContact CZ3-CD1 3.47Å; W127-F190 HydrophobicContact CZ3-CD1 3.47Å; W127-F190 VanDerWaalsContact CZ3-CD1 3.47Å; W127-F190 AromaticContact CZ3-CE1 3.27Å; W127-F190 HydrophobicContact CZ3-CE1 3.27Å; W127-F190 HydrophobicContact CZ3-CG 4.2Å; W127-F190 AromaticContact CZ3-CZ 3.89Å; W127-F190 HydrophobicContact CZ3-CZ 3.89Å; C153-F190 HydrophobicContact CB-CE2 4.38Å; C153-F190 HydrophobicContact CB-CZ 4.47Å; C153-F190 WeakPolarHBondContact SG-CZ 3.32Å; L167-F190 HydrophobicContact CD1-CD1 4.34Å; L167-F190 HydrophobicContact CD1-CE1 3.55Å; L167-F190 HydrophobicContact CD1-CZ 3.69Å; L167-F190 HydrophobicContact CD2-CE1 3.89Å; L167-F190 HydrophobicContact CD2-CZ 3.64Å; L167-F190 HydrophobicContact CG-CE1 4.38Å; L167-F190 HydrophobicContact CG-CZ 4.26Å; W177-F190 HydrophobicContact CE3-CB 4.16Å; W177-F190 AromaticContact CE3-CD2 3.82Å; W177-F190 HydrophobicContact CE3-CD2 3.82Å; W177-F190 HydrophobicContact CE3-CE2 4.47Å; W177-F190 HydrophobicContact CE3-CG 4.07Å; W177-F190 HydrophobicContact CH2-CB 4.32Å; W177-F190 HydrophobicContact CZ3-CB 3.83Å; W177-F190 AromaticContact CZ3-CD2 3.77Å; W177-F190 HydrophobicContact CZ3-CD2 3.77Å; W177-F190 HydrophobicContact CZ3-CG 4.08Å; F182-F190 HydrophobicContact CD1-CE2 4.28Å; F182-F190 HydrophobicContact CD2-CE2 4.45Å; F182-F190 HydrophobicContact CE1-CE2 4.19Å; F182-F190 HydrophobicContact CE2-CE2 4.37Å; F182-F190 HydrophobicContact CG-CE2 4.39Å; F182-F190 HydrophobicContact CZ-CE2 4.24Å; T186-F190 HydrophobicContact CG2-CD2 3.72Å; T186-F190 HydrophobicContact CG2-CE2 3.5Å; T186-F190 VanDerWaalsContact CG2-CE2 3.5Å; T186-F190 VanDerWaalsContact O-CD2 3.32Å; T186-F190 WeakPolarHBondContact O-CD2 3.48Å; T186-F190 PolarHBondContact O-N 2.99Å; F190-S192 PolarHBondContact O-N 3.41Å; F190-S192 VanDerWaalsContact O-N 3.15Å; F190-E193 PolarHBondContact O-N 2.82Å; F190-M194 PolarHBondContact O-N 2.85Å; F190-L196 HydrophobicContact CB-CD1 3.98Å; F190-L196 HydrophobicContact CB-CD2 4.29Å; F190-L196 HydrophobicContact CD1-CD2 4.45Å
191K97.3Very high98.1Very high135 Ų13555.5 Ų55.559%0.58730%0.298SS*.Hα-helixtrans-62.6-21.6-179.9-71.7177.1179.1-172.50113.9W177 K187 A188 Q189 L196W177-K191 HydrophobicContact CH2-CG 4.47Å; K187-K191 WeakPolarHBondContact O-CG 3.32Å; K187-K191 PolarHBondContact O-N 3.4Å; A188-K191 PolarHBondContact O-N 3.26Å; Q189-K191 PolarHBondContact O-N 3.21Å; K191-L196 HydrophobicContact CG-CD1 3.84Å
192S97.1Very high98.1Very high84 Ų8461 Ų6159%0.58733%0.327SS*.Hα-helixtrans-88.5-11.4176.762.70000114.3A188 Q189 F190A188-S192 PolarHBondContact O-N 3.22Å; A188-S192 PolarHBondContact O-OG 3.01Å; Q189-S192 PolarHBondContact O-N 3.39Å; Q189-S192 VanDerWaalsContact O-N 3.16Å; Q189-S192 PolarHBondContact O-OG 2.79Å; F190-S192 PolarHBondContact O-N 3.41Å; F190-S192 VanDerWaalsContact O-N 3.15Å
193E97.1Very high98.1Very high82 Ų8261 Ų6138%0.38333%0.327SS..Hα-helixtrans-128.9-21-165.5-63.5-76.7-178.800113.8W127 R149 M151 Q189 F190W127-E193 HydrophobicContact CH2-CB 3.89Å; W127-E193 HydrophobicContact CZ2-CB 4.35Å; R149-E193 IonicContact CZ-OE1 2.73Å; R149-E193 IonicContact CZ-OE2 3.59Å; R149-E193 VanDerWaalsContact CZ-OE2 3.31Å; R149-E193 IonicContact NH1-OE1 3.53Å; R149-E193 PolarHBondContact NH1-OE1 3.41Å; R149-E193 VanDerWaalsContact NH1-OE1 3.13Å; R149-E193 IonicContact NH1-OE2 2.82Å; R149-E193 PolarHBondContact NH1-OE2 2.9Å; R149-E193 IonicContact NH2-OE1 3.35Å; R149-E193 PolarHBondContact NH2-OE1 3.11Å; R149-E193 VanDerWaalsContact NH2-OE1 3.16Å; R149-E193 IonicContact NH2-OE2 3.48Å; R149-E193 PolarHBondContact NH2-OE2 2.89Å; M151-E193 HydrophobicContact CE-CB 4.46Å; M151-E193 HydrophobicContact CE-CG 3.69Å; Q189-E193 VanDerWaalsContact O-CG 3.26Å; Q189-E193 WeakPolarHBondContact O-CG 3.4Å; Q189-E193 PolarHBondContact O-N 3.42Å; F190-E193 PolarHBondContact O-N 2.82Å
194M97.5Very high98.1Very high12 Ų1260.4 Ų60.46%0.05932%0.324CS..  trans-136.7149.3-179.6-56.7-159.878.400111.6W127 D173 A175 F190 L196W127-M194 HydrophobicContact CH2-CG 4.07Å; W127-M194 HydrophobicContact CH2-SD 4.26Å; W127-M194 HydrophobicContact CZ2-CG 3.49Å; W127-M194 VanDerWaalsContact CZ2-CG 3.49Å; W127-M194 HydrophobicContact CZ2-SD 3.36Å; W127-M194 WeakPolarHBondContact CZ2-SD 3.42Å; D173-M194 VanDerWaalsContact C-CE 3.5Å; D173-M194 CarbonylContact O-C 3.48Å; D173-M194 WeakPolarHBondContact O-CA 3.36Å; A175-M194 HydrophobicContact CB-CE 3.92Å; A175-M194 HydrophobicContact CB-SD 3.9Å; F190-M194 PolarHBondContact O-N 2.85Å; M194-L196 HydrophobicContact CB-CD2 4.05Å; M194-L196 HydrophobicContact CB-CG 4.4Å
195D98.1Very high98Very high115 Ų11557.4 Ų57.462%0.61530%0.303SS*.EExtended strand (participates in β ladder)trans-70.2140.2152.8-69.1-35.4000109D173 L174 A175D173-D195 PolarHBondContact O-N 3.04Å; L174-D195 WeakPolarHBondContact CA-O 3.38Å; L174-D195 HydrophobicContact CD1-CB 3.69Å; A175-D195 PolarHBondContact N-O 3.38Å
196L98.5Very high98Very high44 Ų4454.7 Ų54.723%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-131.6126.2-166.8-64.8165.7000110.9A175 W177 F190 K191 M194A175-L196 HydrophobicContact CB-CD2 4.41Å; W177-L196 HydrophobicContact CD2-CD1 4.23Å; W177-L196 HydrophobicContact CD2-CD2 3.98Å; W177-L196 HydrophobicContact CG-CD2 3.92Å; W177-L196 HydrophobicContact CH2-CD1 4.11Å; W177-L196 HydrophobicContact CZ2-CD1 3.62Å; F190-L196 HydrophobicContact CB-CD1 3.98Å; F190-L196 HydrophobicContact CB-CD2 4.29Å; F190-L196 HydrophobicContact CD1-CD2 4.45Å; K191-L196 HydrophobicContact CG-CD1 3.84Å; M194-L196 HydrophobicContact CB-CD2 4.05Å; M194-L196 HydrophobicContact CB-CG 4.4Å
197I98.3Very high98Very high14 Ų1454.7 Ų54.77%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-96.6105.8166.8-61.6170.2000106.7L170 L174 A175 L176 W177 V199 A230L170-I197 HydrophobicContact CD1-CD1 4.12Å; L174-I197 HydrophobicContact CD1-CD1 4.2Å; L174-I197 HydrophobicContact CD1-CG1 4.07Å; L174-I197 HydrophobicContact CD2-CD1 4.17Å; L174-I197 HydrophobicContact CG-CD1 4.37Å; A175-I197 PolarHBondContact O-N 3.42Å; L176-I197 WeakPolarHBondContact CA-O 3.24Å; L176-I197 HydrophobicContact CD2-CB 3.79Å; L176-I197 HydrophobicContact CD2-CD1 3.96Å; L176-I197 HydrophobicContact CD2-CG1 4.47Å; L176-I197 HydrophobicContact CD2-CG2 3.73Å; W177-I197 PolarHBondContact N-O 3.43Å; I197-V199 PolarHBondContact O-N 3.42Å; I197-A230 HydrophobicContact CD1-CB 4.45Å; I197-A230 HydrophobicContact CG2-CB 3.63Å
198E98.2Very high98Very high125 Ų12552.3 Ų52.358%0.58428%0.275SS*.EExtended strand (participates in β ladder)trans-66.9127.1175.7-75.3-176-171.600110.4W177 P179W177-E198 VanDerWaalsContact NE1-CG 3.28Å; P179-E198 HydrophobicContact CG-CG 4.42Å
199V98.7Very high98Very high6 Ų649.4 Ų49.44%0.03625%0.251CS..PPolyproline II helixtrans-94.1132.5175.4179.90000108.2L176 W177 Y178 I197 E203 V204 A208 V227L176-V199 HydrophobicContact CB-CG2 3.93Å; W177-V199 PolarHBondContact O-N 3.23Å; Y178-V199 WeakPolarHBondContact CD2-O 3.3Å; I197-V199 PolarHBondContact O-N 3.42Å; V199-E203 HydrophobicContact CG1-CB 3.6Å; V199-V204 HydrophobicContact CG1-CB 3.87Å; V199-A208 HydrophobicContact CG1-CB 4.01Å; V199-V227 HydrophobicContact CB-CG2 4.39Å; V199-V227 HydrophobicContact CG1-CG2 3.96Å; V199-V227 HydrophobicContact CG2-CG2 3.89Å
200S98.4Very high98.1Very high37 Ų3746.9 Ų46.926%0.25924%0.239SC..PPolyproline II helixtrans-72163.9177.265.10000111.7D202 E203 V204 E226S200-D202 PolarHBondContact O-N 3.15Å; S200-E203 PolarHBondContact O-N 3.4Å; S200-E203 WeakPolarHBondContact OG-CG 3.38Å; S200-E203 PolarHBondContact OG-N 2.96Å; S200-V204 PolarHBondContact O-N 2.95Å; S200-E226 VanDerWaalsContact CB-OE2 3.29Å; S200-E226 WeakPolarHBondContact CB-OE2 3.31Å; S200-E226 PolarHBondContact OG-OE2 3.17Å
201K98.2Very high98.1Very high80 Ų8046.9 Ų46.935%0.34824%0.239SC..Hα-helixtrans-57-41.2176.2-177.259.9167.295.60112Y160 Y178 E203 V204 D205Y160-K201 VanDerWaalsContact OH-CD 3.23Å; Y160-K201 WeakPolarHBondContact OH-CD 3.18Å; Y160-K201 WeakPolarHBondContact OH-CE 3.16Å; Y160-K201 PolarHBondContact OH-NZ 3.16Å; Y160-K201 VanDerWaalsContact OH-NZ 3.17Å; Y178-K201 HydrophobicContact CE2-CB 4.45Å; Y178-K201 HydrophobicContact CE2-CD 4.3Å; K201-E203 VanDerWaalsContact C-N 3.3Å; K201-E203 PolarHBondContact O-N 3.18Å; K201-V204 HydrophobicContact CD-CG1 4.2Å; K201-V204 WeakPolarHBondContact O-CG1 3.48Å; K201-D205 IonicContact NZ-OD1 2.65Å; K201-D205 PolarHBondContact NZ-OD1 3.26Å; K201-D205 IonicContact NZ-OD2 2.62Å; K201-D205 PolarHBondContact NZ-OD2 3.04Å; K201-D205 WeakPolarHBondContact O-CB 3.39Å; K201-D205 PolarHBondContact O-N 2.76Å; K201-D205 VanDerWaalsContact O-N 3.15Å
202D98.1Very high98.2Very high114 Ų11440.4 Ų40.461%0.6121%0.211SC*.Hα-helixtrans-67.4-32.4-178.6-70.2-7.2000111.9S200 K206S200-D202 PolarHBondContact O-N 3.15Å; D202-K206 WeakPolarHBondContact O-CE 3.28Å; D202-K206 VanDerWaalsContact O-CG 3.31Å; D202-K206 WeakPolarHBondContact O-CG 3.26Å
203E98.4Very high98.2Very high3 Ų337.2 Ų37.21%0.01419%0.19CC..Hα-helixtrans-84.5-38.6-179.8-66.5-82.3119.400112.2V199 S200 K201 D205 K206 F207 A208 C224 N225 E226 V227V199-E203 HydrophobicContact CG1-CB 3.6Å; S200-E203 PolarHBondContact O-N 3.4Å; S200-E203 WeakPolarHBondContact OG-CG 3.38Å; S200-E203 PolarHBondContact OG-N 2.96Å; K201-E203 VanDerWaalsContact C-N 3.3Å; K201-E203 PolarHBondContact O-N 3.18Å; E203-D205 PolarHBondContact O-N 2.73Å; E203-K206 CarbonylContact O-C 3.58Å; E203-K206 WeakPolarHBondContact O-CB 3.41Å; E203-K206 PolarHBondContact O-N 3.27Å; E203-K206 VanDerWaalsContact O-N 3.07Å; E203-K206 IonicContact OE1-NZ 3.13Å; E203-K206 PolarHBondContact OE1-NZ 3.36Å; E203-F207 PolarHBondContact O-N 2.85Å; E203-A208 HydrophobicContact CB-CB 4.18Å; E203-A208 WeakPolarHBondContact O-CB 3.44Å; E203-A208 PolarHBondContact O-N 2.77Å; E203-A208 VanDerWaalsContact O-N 3.12Å; E203-C224 WeakPolarHBondContact OE1-CA 3.2Å; E203-C224 WeakPolarHBondContact OE2-CA 3.29Å; E203-C224 WeakPolarHBondContact OE2-CB 3.38Å; E203-N225 PolarHBondContact OE1-N 2.86Å; E203-N225 PolarHBondContact OE2-N 3.05Å; E203-E226 HydrophobicContact CG-CB 3.99Å; E203-E226 HydrophobicContact CG-CG 4.24Å; E203-E226 PolarHBondContact OE2-N 2.95Å; E203-V227 HydrophobicContact CB-CG2 4.06Å; E203-V227 HydrophobicContact CG-CG2 4.35Å; E203-V227 PolarHBondContact OE2-N 3.12Å
204V98.5Very high98.2Very high2 Ų234 Ų341%0.01218%0.176CC..Hα-helixtrans-64.7-33.717673.40000110.9Y160 M165 Y178 V199 S200 K201 K206 F207Y160-V204 HydrophobicContact CD1-CG2 4.17Å; Y160-V204 HydrophobicContact CE1-CB 4.38Å; Y160-V204 HydrophobicContact CE1-CG1 3.78Å; Y160-V204 HydrophobicContact CE1-CG2 3.69Å; Y160-V204 WeakPolarHBondContact OH-CG1 3.46Å; M165-V204 WeakPolarHBondContact O-CG2 3.37Å; Y178-V204 HydrophobicContact CD1-CG1 4.2Å; Y178-V204 HydrophobicContact CD1-CG2 4.33Å; Y178-V204 HydrophobicContact CD2-CB 4.14Å; Y178-V204 HydrophobicContact CD2-CG1 3.72Å; Y178-V204 HydrophobicContact CE1-CG1 4.47Å; Y178-V204 HydrophobicContact CE2-CG1 3.99Å; Y178-V204 HydrophobicContact CG-CB 4.03Å; Y178-V204 HydrophobicContact CG-CG1 3.83Å; Y178-V204 HydrophobicContact CG-CG2 3.93Å; V199-V204 HydrophobicContact CG1-CB 3.87Å; S200-V204 PolarHBondContact O-N 2.95Å; K201-V204 HydrophobicContact CD-CG1 4.2Å; K201-V204 WeakPolarHBondContact O-CG1 3.48Å; V204-K206 PolarHBondContact O-N 2.93Å; V204-F207 WeakPolarHBondContact O-CA 3.37Å; V204-F207 PolarHBondContact O-N 2.74Å
205D97.6Very high98Very high52 Ų5235 Ų3528%0.27819%0.188SC..THydrogen-bonded Turntrans-71.5-16.6175.4-78.5-5.3000113.9W22 K201 E203W22-D205 HydrophobicContact CH2-CB 4Å; W22-D205 WeakPolarHBondContact CH2-OD1 3.42Å; K201-D205 IonicContact NZ-OD1 2.65Å; K201-D205 PolarHBondContact NZ-OD1 3.26Å; K201-D205 IonicContact NZ-OD2 2.62Å; K201-D205 PolarHBondContact NZ-OD2 3.04Å; K201-D205 WeakPolarHBondContact O-CB 3.39Å; K201-D205 PolarHBondContact O-N 2.76Å; K201-D205 VanDerWaalsContact O-N 3.15Å; E203-D205 PolarHBondContact O-N 2.73Å
206K98Very high97.8Very high75 Ų7535.3 Ų35.333%0.32619%0.185SC..THydrogen-bonded Turntrans-89.814.1166.8-60.5170.1-159165.30112D202 E203 V204 A208 G223 M247D202-K206 WeakPolarHBondContact O-CE 3.28Å; D202-K206 VanDerWaalsContact O-CG 3.31Å; D202-K206 WeakPolarHBondContact O-CG 3.26Å; E203-K206 CarbonylContact O-C 3.58Å; E203-K206 WeakPolarHBondContact O-CB 3.41Å; E203-K206 PolarHBondContact O-N 3.27Å; E203-K206 VanDerWaalsContact O-N 3.07Å; E203-K206 IonicContact OE1-NZ 3.13Å; E203-K206 PolarHBondContact OE1-NZ 3.36Å; V204-K206 PolarHBondContact O-N 2.93Å; K206-A208 VanDerWaalsContact C-N 3.31Å; K206-A208 PolarHBondContact O-N 3.09Å; K206-G223 VanDerWaalsContact CD-O 3.25Å; K206-G223 WeakPolarHBondContact CD-O 3.21Å; K206-G223 PolarHBondContact NZ-O 3.16Å; K206-M247 WeakPolarHBondContact O-CE 3.5Å
207F98.4Very high97.8Very high4 Ų434.3 Ų34.32%0.01818%0.18CC..THydrogen-bonded Turntrans63.830.4179.1-65.2-108.2000113.5W22 M165 E203 V204 C209 N210 P221 M247 G250 A252W22-F207 HydrophobicContact CB-CZ 4.49Å; W22-F207 HydrophobicContact CD2-CE2 4.14Å; W22-F207 AromaticContact CD2-CZ 3.69Å; W22-F207 HydrophobicContact CD2-CZ 3.69Å; W22-F207 AromaticContact CE3-CE2 3.66Å; W22-F207 HydrophobicContact CE3-CE2 3.66Å; W22-F207 AromaticContact CE3-CZ 3.69Å; W22-F207 HydrophobicContact CE3-CZ 3.69Å; W22-F207 HydrophobicContact CG-CZ 4.05Å; W22-F207 HydrophobicContact CH2-CE2 4.25Å; W22-F207 AromaticContact CZ3-CE2 3.74Å; W22-F207 HydrophobicContact CZ3-CE2 3.74Å; W22-F207 HydrophobicContact CZ3-CZ 4.15Å; M165-F207 HydrophobicContact CE-CD1 4.25Å; M165-F207 HydrophobicContact CE-CE1 3.53Å; M165-F207 HydrophobicContact CE-CZ 3.91Å; E203-F207 PolarHBondContact O-N 2.85Å; V204-F207 WeakPolarHBondContact O-CA 3.37Å; V204-F207 PolarHBondContact O-N 2.74Å; F207-C209 PolarHBondContact O-N 2.96Å; F207-C209 VanDerWaalsContact O-N 3.11Å; F207-N210 HydrophobicContact CB-CB 3.95Å; F207-N210 HydrophobicContact CD1-CB 4.15Å; F207-N210 WeakPolarHBondContact O-CA 3.08Å; F207-N210 WeakPolarHBondContact O-CB 3.48Å; F207-N210 PolarHBondContact O-N 3.44Å; F207-P221 HydrophobicContact CB-CG 4.32Å; F207-P221 WeakPolarHBondContact O-CG 3.39Å; F207-M247 HydrophobicContact CB-CE 4.11Å; F207-M247 HydrophobicContact CD2-CB 4.35Å; F207-M247 HydrophobicContact CD2-CE 4.28Å; F207-M247 HydrophobicContact CD2-CG 3.79Å; F207-M247 HydrophobicContact CD2-SD 4.05Å; F207-M247 HydrophobicContact CE2-CB 4.16Å; F207-M247 HydrophobicContact CE2-CG 4.1Å; F207-M247 HydrophobicContact CG-CE 4.47Å; F207-M247 HydrophobicContact CG-CG 4.2Å; F207-G250 WeakPolarHBondContact CE1-O 3.45Å; F207-A252 HydrophobicContact CB-CB 3.98Å; F207-A252 HydrophobicContact CD1-CB 4.38Å; F207-A252 HydrophobicContact CG-CB 4.38Å
208A98.5Very high97.8Very high0 Ų033.6 Ų33.60%018%0.177CC..THydrogen-bonded Turntrans-56.8-31.3-178.400000113.9V199 E203 K206 A211 L220 C224 V227V199-A208 HydrophobicContact CG1-CB 4.01Å; E203-A208 HydrophobicContact CB-CB 4.18Å; E203-A208 WeakPolarHBondContact O-CB 3.44Å; E203-A208 PolarHBondContact O-N 2.77Å; E203-A208 VanDerWaalsContact O-N 3.12Å; K206-A208 VanDerWaalsContact C-N 3.31Å; K206-A208 PolarHBondContact O-N 3.09Å; A208-A211 WeakPolarHBondContact O-CB 3.3Å; A208-L220 HydrophobicContact CB-CD1 4.45Å; A208-L220 WeakPolarHBondContact O-CD1 3.48Å; A208-C224 HydrophobicContact CB-CB 4.05Å; A208-V227 HydrophobicContact CB-CB 4.28Å; A208-V227 HydrophobicContact CB-CG1 4.33Å; A208-V227 HydrophobicContact CB-CG2 3.85Å
209C98.7Very high97.8Very high0 Ų027.7 Ų27.70%015%0.149CC..THydrogen-bonded Turntrans-79.5-15.3173.8-67.80000113.7D164 M165 C166 C168 F207 A211D164-C209 CarbonylContact O-C 3.56Å; M165-C209 WeakPolarHBondContact O-CB 3.3Å; C166-C209 VanDerWaalsContact C-SG 3.57Å; C168-C209 VanDerWaalsContact CB-O 3.3Å; C168-C209 WeakPolarHBondContact CB-O 3.34Å; F207-C209 PolarHBondContact O-N 2.96Å; F207-C209 VanDerWaalsContact O-N 3.11Å; C209-A211 PolarHBondContact O-N 3.04Å
210N98.7Very high97.8Very high0 Ų027.4 Ų27.40%015%0.147CC..SBendtrans-83.749.1174.4-153.4-92000111D164 F207 A252 V253 Q254 C255D164-N210 VanDerWaalsContact CG-ND2 3.27Å; D164-N210 WeakPolarHBondContact O-CA 3.43Å; D164-N210 PolarHBondContact O-N 3.26Å; D164-N210 PolarHBondContact O-ND2 3.28Å; D164-N210 VanDerWaalsContact O-ND2 3.08Å; D164-N210 PolarHBondContact OD2-ND2 3.41Å; D164-N210 VanDerWaalsContact OD2-ND2 3.15Å; F207-N210 HydrophobicContact CB-CB 3.95Å; F207-N210 HydrophobicContact CD1-CB 4.15Å; F207-N210 WeakPolarHBondContact O-CA 3.08Å; F207-N210 WeakPolarHBondContact O-CB 3.48Å; F207-N210 PolarHBondContact O-N 3.44Å; N210-A252 HydrophobicContact CB-CB 4.04Å; N210-A252 VanDerWaalsContact OD1-CA 3.29Å; N210-A252 WeakPolarHBondContact OD1-CA 3.33Å; N210-A252 PolarHBondContact OD1-N 3.17Å; N210-A252 PolarHBondContact OD1-O 2.93Å; N210-V253 WeakPolarHBondContact O-CB 3.2Å; N210-V253 PolarHBondContact O-N 2.75Å; N210-V253 VanDerWaalsContact O-N 3.15Å; N210-V253 PolarHBondContact OD1-N 3.35Å; N210-Q254 PolarHBondContact O-N 2.91Å; N210-Q254 PolarHBondContact OD1-N 3.15Å; N210-Q254 VanDerWaalsContact OD1-N 3.14Å; N210-C255 PolarHBondContact ND2-SG 2.92Å; N210-C255 PolarHBondContact OD1-N 2.62Å; N210-C255 VanDerWaalsContact OD1-N 3.14Å
211A98.6Very high97.8Very high0 Ų025.6 Ų25.60%014%0.135CC..  trans-114.4171.5-179.700000109.7C168 A208 C209 V218 I219 L220 Q254C168-A211 VanDerWaalsContact SG-C 3.52Å; C168-A211 PolarHBondContact SG-O 2.89Å; A208-A211 WeakPolarHBondContact O-CB 3.3Å; C209-A211 PolarHBondContact O-N 3.04Å; A211-V218 HydrophobicContact CB-CG1 4.32Å; A211-I219 WeakPolarHBondContact CA-O 3.5Å; A211-I219 WeakPolarHBondContact CB-O 3.28Å; A211-L220 HydrophobicContact CB-CD1 3.86Å; A211-Q254 PolarHBondContact O-OE1 3.35Å
212I98.1Very high97.8Very high0 Ų022.9 Ų22.90%013%0.127CC..EExtended strand (participates in β ladder)trans-135.8148.8172.367.5176.3000110.9L43 V214 V218 I219 V253 Q254 I257L43-I212 HydrophobicContact CD2-CD1 3.74Å; I212-V214 HydrophobicContact CD1-CG2 4.15Å; I212-V214 HydrophobicContact CG1-CG2 4.46Å; I212-V218 CarbonylContact O-C 3.4Å; I212-V218 WeakPolarHBondContact O-CA 3.5Å; I212-I219 HydrophobicContact CD1-CD1 4.28Å; I212-I219 HydrophobicContact CG1-CB 4Å; I212-I219 HydrophobicContact CG1-CD1 4.44Å; I212-I219 HydrophobicContact CG1-CG1 4.37Å; I212-I219 PolarHBondContact N-O 3.44Å; I212-I219 VanDerWaalsContact N-O 3.11Å; I212-I219 PolarHBondContact O-N 2.93Å; I212-V253 HydrophobicContact CD1-CG1 4.2Å; I212-V253 HydrophobicContact CG1-CG1 3.91Å; I212-V253 HydrophobicContact CG2-CG1 4.35Å; I212-Q254 HydrophobicContact CG2-CB 3.74Å; I212-Q254 HydrophobicContact CG2-CG 4.1Å; I212-I257 HydrophobicContact CD1-CD1 3.39Å; I212-I257 HydrophobicContact CD1-CG1 4.36Å; I212-I257 HydrophobicContact CG2-CD1 4.08Å; I212-I257 HydrophobicContact CG2-CG1 4.4Å
213A97.8Very high97.8Very high17 Ų1719 Ų1914%0.1411%0.114CC..EExtended strand (participates in β ladder)trans-99.6130.3165.900000111L170 V218L170-A213 HydrophobicContact CD2-CB 4.37Å; L170-A213 WeakPolarHBondContact O-CB 3.48Å; A213-V218 HydrophobicContact CB-CG2 4.47Å
214V96Very high97.7Very high14 Ų1418.9 Ų18.99%0.08511%0.114CC..EExtended strand (participates in β ladder)trans-118.899169.7-177.40000107.6F2 C46 I48 I212 K216 T217F2-V214 HydrophobicContact CE2-CG2 4.18Å; F2-V214 HydrophobicContact CZ-CG2 3.99Å; C46-V214 HydrophobicContact CB-CB 4.47Å; C46-V214 HydrophobicContact CB-CG1 3.96Å; I48-V214 HydrophobicContact CD1-CG1 3.82Å; I48-V214 HydrophobicContact CG1-CG1 3.88Å; I48-V214 HydrophobicContact CG1-CG2 4.45Å; I212-V214 HydrophobicContact CD1-CG2 4.15Å; I212-V214 HydrophobicContact CG1-CG2 4.46Å; V214-K216 PolarHBondContact O-N 3.33Å; V214-K216 VanDerWaalsContact O-N 3.15Å; V214-T217 PolarHBondContact N-O 3.07Å; V214-T217 PolarHBondContact O-N 3.01Å
215G93.4Very high97.7Very high32 Ų3223.3 Ų23.333%0.3314%0.137SC..THydrogen-bonded Turntrans61.9-116.5-171.900000111.2
216K95.1Very high97.7Very high123 Ų12326 Ų2654%0.53515%0.148SC..THydrogen-bonded Turntrans-98.51.9176.4-77.3-66.3-172.9179.60113.9V214 F236 E237V214-K216 PolarHBondContact O-N 3.33Å; V214-K216 VanDerWaalsContact O-N 3.15Å; K216-F236 HydrophobicContact CD-CD1 4.09Å; K216-F236 HydrophobicContact CD-CE1 4.11Å; K216-F236 HydrophobicContact CD-CG 4.5Å; K216-F236 CarbonylContact O-C 3.56Å; K216-F236 WeakPolarHBondContact O-CA 3.28Å; K216-F236 WeakPolarHBondContact O-CB 3.41Å; K216-F236 WeakPolarHBondContact O-CD1 3.29Å; K216-E237 PolarHBondContact O-N 3.33Å
217T97.9Very high97.7Very high22 Ų2222.5 Ų22.514%0.13513%0.133CC..EExtended strand (participates in β ladder)trans-101.3125.3179.3-51.30000109.8V214 E237 I239V214-T217 PolarHBondContact N-O 3.07Å; V214-T217 PolarHBondContact O-N 3.01Å; T217-E237 CarbonylContact C-O 3.5Å; T217-E237 WeakPolarHBondContact CA-O 3.48Å; T217-I239 HydrophobicContact CG2-CD1 3.66Å; T217-I239 HydrophobicContact CG2-CG1 3.78Å
218V98.4Very high97.6Very high0 Ų025.4 Ų25.40%015%0.146CC..EExtended strand (participates in β ladder)trans-98.9124172-174.50000109.2L170 A211 I212 A213 I231 F236 E237 I238 I239L170-V218 HydrophobicContact CD2-CG1 4.18Å; L170-V218 HydrophobicContact CD2-CG2 3.87Å; A211-V218 HydrophobicContact CB-CG1 4.32Å; I212-V218 CarbonylContact O-C 3.4Å; I212-V218 WeakPolarHBondContact O-CA 3.5Å; A213-V218 HydrophobicContact CB-CG2 4.47Å; V218-I231 HydrophobicContact CB-CD1 4.3Å; V218-I231 HydrophobicContact CB-CG2 4.13Å; V218-I231 HydrophobicContact CG1-CD1 3.94Å; V218-I231 HydrophobicContact CG2-CD1 4.47Å; V218-I231 HydrophobicContact CG2-CG2 3.71Å; V218-F236 HydrophobicContact CG2-CB 4.13Å; V218-F236 HydrophobicContact CG2-CD1 3.83Å; V218-F236 HydrophobicContact CG2-CG 4.17Å; V218-E237 PolarHBondContact N-O 2.82Å; V218-I238 WeakPolarHBondContact O-CA 3.22Å; V218-I239 PolarHBondContact O-N 3.38Å
219I98.5Very high97.6Very high0 Ų032.2 Ų32.20%018%0.177CC..EExtended strand (participates in β ladder)trans-95.4109.3172.4-51.8-177.4000107.2L39 F42 L43 A211 I212 I239 V241 V253L39-I219 HydrophobicContact CD1-CG2 3.94Å; F42-I219 HydrophobicContact CB-CD1 4.48Å; L43-I219 HydrophobicContact CD2-CD1 3.92Å; L43-I219 HydrophobicContact CG-CD1 4.28Å; A211-I219 WeakPolarHBondContact CA-O 3.5Å; A211-I219 WeakPolarHBondContact CB-O 3.28Å; I212-I219 HydrophobicContact CD1-CD1 4.28Å; I212-I219 HydrophobicContact CG1-CB 4Å; I212-I219 HydrophobicContact CG1-CD1 4.44Å; I212-I219 HydrophobicContact CG1-CG1 4.37Å; I212-I219 PolarHBondContact N-O 3.44Å; I212-I219 VanDerWaalsContact N-O 3.11Å; I212-I219 PolarHBondContact O-N 2.93Å; I219-I239 WeakPolarHBondContact CA-O 3.39Å; I219-I239 HydrophobicContact CG1-CB 4.43Å; I219-V241 HydrophobicContact CG2-CG2 3.47Å; I219-V241 VanDerWaalsContact CG2-CG2 3.47Å; I219-V253 HydrophobicContact CB-CG1 4.06Å; I219-V253 HydrophobicContact CG2-CG1 3.75Å; I219-V253 HydrophobicContact CG2-CG2 4.17Å
220L98.5Very high97.6Very high0 Ų033.3 Ų33.30%019%0.187CC..EExtended strand (participates in β ladder)trans-118.9141.4-167-177.670000110A208 A211 A222 C224 V227 K228 I231 I238 I239 E240 V241A208-L220 HydrophobicContact CB-CD1 4.45Å; A208-L220 WeakPolarHBondContact O-CD1 3.48Å; A211-L220 HydrophobicContact CB-CD1 3.86Å; L220-A222 PolarHBondContact O-N 3.39Å; L220-C224 HydrophobicContact CD1-CB 4.36Å; L220-C224 HydrophobicContact CD2-CB 3.92Å; L220-C224 HydrophobicContact CG-CB 4.21Å; L220-V227 HydrophobicContact CD1-CG1 3.99Å; L220-V227 HydrophobicContact CD2-CG1 4.23Å; L220-K228 HydrophobicContact CD2-CB 4.41Å; L220-I231 HydrophobicContact CD2-CD1 4.27Å; L220-I238 HydrophobicContact CB-CG2 4.4Å; L220-I238 HydrophobicContact CD2-CG2 4.46Å; L220-I239 PolarHBondContact N-O 3.25Å; L220-E240 CarbonylContact O-C 3.51Å; L220-E240 VanDerWaalsContact O-CA 3.32Å; L220-E240 WeakPolarHBondContact O-CA 3.31Å; L220-V241 PolarHBondContact O-N 2.93Å
221P98.3Very high97.5Very high0 Ų033.3 Ų33.30%019%0.187CC..EExtended strand (participates in β ladder)trans-59.8135.8168-23.235.8000111.7F207 C224 V241 M247 A252 V253F207-P221 HydrophobicContact CB-CG 4.32Å; F207-P221 WeakPolarHBondContact O-CG 3.39Å; P221-C224 PolarHBondContact O-SG 2.83Å; P221-C224 VanDerWaalsContact O-SG 3.34Å; P221-V241 WeakPolarHBondContact CA-O 3.48Å; P221-M247 HydrophobicContact CB-CE 3.46Å; P221-M247 VanDerWaalsContact CB-CE 3.46Å; P221-M247 HydrophobicContact CG-CE 4.35Å; P221-A252 HydrophobicContact CB-CB 4.36Å; P221-A252 HydrophobicContact CG-CB 3.66Å; P221-V253 HydrophobicContact CG-CG2 4.05Å
222A98.1Very high97.5Very high23 Ų2337.5 Ų37.519%0.1921%0.208CC..THydrogen-bonded Turntrans-59.5147.3-177.300000112.9L220 E240 V241 E242L220-A222 PolarHBondContact O-N 3.39Å; A222-E240 HydrophobicContact CB-CB 4.27Å; A222-V241 PolarHBondContact N-O 2.99Å; A222-E242 WeakPolarHBondContact CB-OE1 3.21Å
223G97.3Very high97.4Very high33 Ų3341.9 Ų41.934%0.3424%0.239SC..THydrogen-bonded Turntrans93.96.3173.800000115.9K206 N225 E240K206-G223 VanDerWaalsContact CD-O 3.25Å; K206-G223 WeakPolarHBondContact CD-O 3.21Å; K206-G223 PolarHBondContact NZ-O 3.16Å; G223-N225 PolarHBondContact O-N 3.18Å; G223-E240 PolarHBondContact N-OE1 3.24Å
224C97.7Very high97.4Very high0 Ų045.2 Ų45.20%025%0.252CS..  trans-93.773.9178.1-56.60000111.4E203 A208 L220 P221 V227 K228E203-C224 WeakPolarHBondContact OE1-CA 3.2Å; E203-C224 WeakPolarHBondContact OE2-CA 3.29Å; E203-C224 WeakPolarHBondContact OE2-CB 3.38Å; A208-C224 HydrophobicContact CB-CB 4.05Å; L220-C224 HydrophobicContact CD1-CB 4.36Å; L220-C224 HydrophobicContact CD2-CB 3.92Å; L220-C224 HydrophobicContact CG-CB 4.21Å; P221-C224 PolarHBondContact O-SG 2.83Å; P221-C224 VanDerWaalsContact O-SG 3.34Å; C224-V227 HydrophobicContact CB-CB 4.31Å; C224-K228 WeakPolarHBondContact O-CB 3.37Å; C224-K228 PolarHBondContact O-N 3.29Å
225N97.4Very high97.4Very high94 Ų9447.1 Ų47.150%0.50327%0.274SS..Hα-helixtrans-69.8-42-168.6-70.5-33.3000113.5E203 G223 K228 E229E203-N225 PolarHBondContact OE1-N 2.86Å; E203-N225 PolarHBondContact OE2-N 3.05Å; G223-N225 PolarHBondContact O-N 3.18Å; N225-K228 WeakPolarHBondContact O-CB 3.34Å; N225-K228 PolarHBondContact O-N 2.61Å; N225-E229 PolarHBondContact O-N 2.87Å
226E97.6Very high97.7Very high108 Ų10846.1 Ų46.151%0.50526%0.26SS..Hα-helixtrans-67.2-44.9-178.4-60175177.700110.1S200 E203 K228 E229 A230S200-E226 VanDerWaalsContact CB-OE2 3.29Å; S200-E226 WeakPolarHBondContact CB-OE2 3.31Å; S200-E226 PolarHBondContact OG-OE2 3.17Å; E203-E226 HydrophobicContact CG-CB 3.99Å; E203-E226 HydrophobicContact CG-CG 4.24Å; E203-E226 PolarHBondContact OE2-N 2.95Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 3.27Å; E226-E229 PolarHBondContact O-N 2.99Å; E226-A230 PolarHBondContact O-N 3.41Å
227V98Very high97.8Very high3 Ų346.2 Ų46.22%0.01826%0.263CS..Hα-helixtrans-64.6-38.6177168.80000110.8L176 V199 E203 A208 L220 C224 A230 I231L176-V227 HydrophobicContact CD1-CG1 3.67Å; L176-V227 HydrophobicContact CD2-CG1 3.99Å; L176-V227 HydrophobicContact CG-CG1 4.48Å; V199-V227 HydrophobicContact CB-CG2 4.39Å; V199-V227 HydrophobicContact CG1-CG2 3.96Å; V199-V227 HydrophobicContact CG2-CG2 3.89Å; E203-V227 HydrophobicContact CB-CG2 4.06Å; E203-V227 HydrophobicContact CG-CG2 4.35Å; E203-V227 PolarHBondContact OE2-N 3.12Å; A208-V227 HydrophobicContact CB-CB 4.28Å; A208-V227 HydrophobicContact CB-CG1 4.33Å; A208-V227 HydrophobicContact CB-CG2 3.85Å; L220-V227 HydrophobicContact CD1-CG1 3.99Å; L220-V227 HydrophobicContact CD2-CG1 4.23Å; C224-V227 HydrophobicContact CB-CB 4.31Å; V227-A230 PolarHBondContact O-N 3Å; V227-I231 HydrophobicContact CG1-CD1 3.53Å; V227-I231 HydrophobicContact CG1-CG1 4.19Å; V227-I231 WeakPolarHBondContact O-CB 3.41Å; V227-I231 WeakPolarHBondContact O-CD1 3.14Å; V227-I231 WeakPolarHBondContact O-CG1 3.49Å; V227-I231 PolarHBondContact O-N 3.21Å
228K97.8Very high97.8Very high64 Ų6446.9 Ų46.928%0.27827%0.265SS..Hα-helixtrans-58.3-50.4174.7178.8-175.4-178.9167.30111.9L220 C224 N225 E226 A230 I231 L232 I238 E240L220-K228 HydrophobicContact CD2-CB 4.41Å; C224-K228 WeakPolarHBondContact O-CB 3.37Å; C224-K228 PolarHBondContact O-N 3.29Å; N225-K228 WeakPolarHBondContact O-CB 3.34Å; N225-K228 PolarHBondContact O-N 2.61Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 3.27Å; K228-A230 VanDerWaalsContact C-N 3.32Å; K228-A230 PolarHBondContact O-N 3.1Å; K228-I231 PolarHBondContact O-N 3.24Å; K228-L232 HydrophobicContact CG-CD1 4.22Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.44Å; K228-L232 PolarHBondContact O-N 2.87Å; K228-I238 HydrophobicContact CB-CD1 4.02Å; K228-I238 HydrophobicContact CG-CD1 3.51Å; K228-I238 VanDerWaalsContact O-CD1 3.25Å; K228-I238 WeakPolarHBondContact O-CD1 3.33Å; K228-E240 WeakPolarHBondContact CE-OE2 3.43Å; K228-E240 IonicContact NZ-OE2 2.81Å; K228-E240 PolarHBondContact NZ-OE2 2.97Å
229E98Very high97.8Very high143 Ų14348.5 Ų48.567%0.66827%0.274SS*.Hα-helixtrans-60.7-42.8177.6-71.8179.6-175.800111.7N225 E226 L232 S233N225-E229 PolarHBondContact O-N 2.87Å; E226-E229 PolarHBondContact O-N 2.99Å; E229-L232 PolarHBondContact O-N 2.69Å; E229-S233 WeakPolarHBondContact O-CB 3.34Å; E229-S233 PolarHBondContact O-N 2.9Å; E229-S233 PolarHBondContact O-OG 2.76Å
230A97.6Very high97.7Very high23 Ų2351.5 Ų51.519%0.1929%0.287CS..Hα-helixtrans-60.5-49.5177.200000111.7I197 E226 V227 K228 L232 S233 H234I197-A230 HydrophobicContact CD1-CB 4.45Å; I197-A230 HydrophobicContact CG2-CB 3.63Å; E226-A230 PolarHBondContact O-N 3.41Å; V227-A230 PolarHBondContact O-N 3Å; K228-A230 VanDerWaalsContact C-N 3.32Å; K228-A230 PolarHBondContact O-N 3.1Å; A230-L232 PolarHBondContact O-N 3.44Å; A230-S233 PolarHBondContact O-N 3.35Å; A230-S233 PolarHBondContact O-OG 3.37Å; A230-H234 PolarHBondContact O-N 3.12Å; A230-H234 PolarHBondContact O-ND1 2.81Å
231I97.5Very high97.7Very high0 Ų051.5 Ų51.50%029%0.287CS..Hα-helixtrans-58.9-46.4178.4-70.4164.2000111.2L170 L176 V218 L220 V227 K228 S233 H234 F236 I238L170-I231 HydrophobicContact CD1-CG1 4.23Å; L176-I231 HydrophobicContact CD1-CD1 4.19Å; L176-I231 HydrophobicContact CD2-CD1 4.45Å; L176-I231 HydrophobicContact CD2-CG1 4.1Å; V218-I231 HydrophobicContact CB-CD1 4.3Å; V218-I231 HydrophobicContact CB-CG2 4.13Å; V218-I231 HydrophobicContact CG1-CD1 3.94Å; V218-I231 HydrophobicContact CG2-CD1 4.47Å; V218-I231 HydrophobicContact CG2-CG2 3.71Å; L220-I231 HydrophobicContact CD2-CD1 4.27Å; V227-I231 HydrophobicContact CG1-CD1 3.53Å; V227-I231 HydrophobicContact CG1-CG1 4.19Å; V227-I231 WeakPolarHBondContact O-CB 3.41Å; V227-I231 WeakPolarHBondContact O-CD1 3.14Å; V227-I231 WeakPolarHBondContact O-CG1 3.49Å; V227-I231 PolarHBondContact O-N 3.21Å; K228-I231 PolarHBondContact O-N 3.24Å; I231-S233 VanDerWaalsContact C-N 3.33Å; I231-S233 PolarHBondContact O-N 2.91Å; I231-H234 PolarHBondContact O-N 3.48Å; I231-H234 VanDerWaalsContact O-N 3.13Å; I231-F236 HydrophobicContact CG2-CB 3.41Å; I231-F236 VanDerWaalsContact CG2-CB 3.41Å; I231-F236 HydrophobicContact CG2-CG 4.21Å; I231-F236 PolarHBondContact O-N 3.19Å; I231-I238 HydrophobicContact CB-CD1 3.77Å; I231-I238 HydrophobicContact CB-CG1 4.26Å; I231-I238 HydrophobicContact CD1-CD1 4.4Å; I231-I238 HydrophobicContact CG2-CD1 3.64Å; I231-I238 HydrophobicContact CG2-CG1 3.57Å
232L97.8Very high97.7Very high88 Ų8856.6 Ų56.646%0.46131%0.311SS..Hα-helixtrans-61-41.3178.1-68.8172.2000111.8K228 E229 A230 H234 G235 I238K228-L232 HydrophobicContact CG-CD1 4.22Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.44Å; K228-L232 PolarHBondContact O-N 2.87Å; E229-L232 PolarHBondContact O-N 2.69Å; A230-L232 PolarHBondContact O-N 3.44Å; L232-H234 PolarHBondContact O-N 3.07Å; L232-G235 PolarHBondContact O-N 3.44Å; L232-I238 HydrophobicContact CD1-CD1 4.37Å; L232-I238 HydrophobicContact CD2-CD1 3.92Å; L232-I238 HydrophobicContact CD2-CG1 4.14Å; L232-I238 HydrophobicContact CG-CD1 3.67Å; L232-I238 HydrophobicContact CG-CG1 4.42Å
233S97.4Very high97.8Very high92 Ų9255.6 Ų55.664%0.64330%0.303SS*.Hα-helixtrans-64.9-23.2178.273.60000113.5E229 A230 I231 G235E229-S233 WeakPolarHBondContact O-CB 3.34Å; E229-S233 PolarHBondContact O-N 2.9Å; E229-S233 PolarHBondContact O-OG 2.76Å; A230-S233 PolarHBondContact O-N 3.35Å; A230-S233 PolarHBondContact O-OG 3.37Å; I231-S233 VanDerWaalsContact C-N 3.33Å; I231-S233 PolarHBondContact O-N 2.91Å; S233-G235 VanDerWaalsContact C-N 3.29Å
234H97.3Very high97.8Very high88 Ų8856.4 Ų56.441%0.40730%0.303SS..THydrogen-bonded Turntrans-88.48.9173.8-69.276.8000113.2L174 A230 I231 L232 F236L174-H234 HydrophobicContact CD2-CB 4.12Å; A230-H234 PolarHBondContact O-N 3.12Å; A230-H234 PolarHBondContact O-ND1 2.81Å; I231-H234 PolarHBondContact O-N 3.48Å; I231-H234 VanDerWaalsContact O-N 3.13Å; L232-H234 PolarHBondContact O-N 3.07Å; H234-F236 HydrophobicContact CB-CD2 3.99Å; H234-F236 HydrophobicContact CB-CE2 4.24Å
235G96.8Very high97.9Very high53 Ų5357 Ų5755%0.54631%0.306SS..THydrogen-bonded Turntrans75.726.2174.300000114.3L232 S233L232-G235 PolarHBondContact O-N 3.44Å; S233-G235 VanDerWaalsContact C-N 3.29Å
236F97.8Very high97.9Very high11 Ų1152.5 Ų52.55%0.04828%0.282CS..  trans-95.4158.5168.8-71.9-98.5000110.6L170 L174 K216 V218 I231 H234L170-F236 HydrophobicContact CB-CE1 4.16Å; L170-F236 HydrophobicContact CB-CE2 4.43Å; L170-F236 HydrophobicContact CB-CZ 3.85Å; L174-F236 HydrophobicContact CD2-CE2 3.75Å; L174-F236 HydrophobicContact CD2-CZ 4.37Å; K216-F236 HydrophobicContact CD-CD1 4.09Å; K216-F236 HydrophobicContact CD-CE1 4.11Å; K216-F236 HydrophobicContact CD-CG 4.5Å; K216-F236 CarbonylContact O-C 3.56Å; K216-F236 WeakPolarHBondContact O-CA 3.28Å; K216-F236 WeakPolarHBondContact O-CB 3.41Å; K216-F236 WeakPolarHBondContact O-CD1 3.29Å; V218-F236 HydrophobicContact CG2-CB 4.13Å; V218-F236 HydrophobicContact CG2-CD1 3.83Å; V218-F236 HydrophobicContact CG2-CG 4.17Å; I231-F236 HydrophobicContact CG2-CB 3.41Å; I231-F236 VanDerWaalsContact CG2-CB 3.41Å; I231-F236 HydrophobicContact CG2-CG 4.21Å; I231-F236 PolarHBondContact O-N 3.19Å; H234-F236 HydrophobicContact CB-CD2 3.99Å; H234-F236 HydrophobicContact CB-CE2 4.24Å
237E97.8Very high97.9Very high126 Ų12649.3 Ų49.359%0.58927%0.267SS*.EExtended strand (participates in β ladder)trans-96.8159.4167.7-62.9177.6174.500109.8K216 T217 V218K216-E237 PolarHBondContact O-N 3.33Å; T217-E237 CarbonylContact C-O 3.5Å; T217-E237 WeakPolarHBondContact CA-O 3.48Å; V218-E237 PolarHBondContact N-O 2.82Å
238I97.7Very high98Very high36 Ų3652 Ų5219%0.18528%0.279CS..EExtended strand (participates in β ladder)trans-131.9136.1-175.1-62.2174.6000110.9V218 L220 K228 I231 L232 E240V218-I238 WeakPolarHBondContact O-CA 3.22Å; L220-I238 HydrophobicContact CB-CG2 4.4Å; L220-I238 HydrophobicContact CD2-CG2 4.46Å; K228-I238 HydrophobicContact CB-CD1 4.02Å; K228-I238 HydrophobicContact CG-CD1 3.51Å; K228-I238 VanDerWaalsContact O-CD1 3.25Å; K228-I238 WeakPolarHBondContact O-CD1 3.33Å; I231-I238 HydrophobicContact CB-CD1 3.77Å; I231-I238 HydrophobicContact CB-CG1 4.26Å; I231-I238 HydrophobicContact CD1-CD1 4.4Å; I231-I238 HydrophobicContact CG2-CD1 3.64Å; I231-I238 HydrophobicContact CG2-CG1 3.57Å; L232-I238 HydrophobicContact CD1-CD1 4.37Å; L232-I238 HydrophobicContact CD2-CD1 3.92Å; L232-I238 HydrophobicContact CD2-CG1 4.14Å; L232-I238 HydrophobicContact CG-CD1 3.67Å; L232-I238 HydrophobicContact CG-CG1 4.42Å; I238-E240 HydrophobicContact CG2-CG 3.98Å
239I98.1Very high98Very high34 Ų3449 Ų4917%0.17427%0.266CS..EExtended strand (participates in β ladder)trans-116.9115.9163.8-63.1175.4000106.8F42 T217 V218 I219 L220 V241F42-I239 HydrophobicContact CB-CD1 4.41Å; F42-I239 HydrophobicContact CB-CG2 4.13Å; F42-I239 HydrophobicContact CD1-CD1 4.15Å; F42-I239 HydrophobicContact CD1-CG2 3.56Å; F42-I239 HydrophobicContact CD2-CG2 3.62Å; F42-I239 HydrophobicContact CE1-CG2 3.72Å; F42-I239 HydrophobicContact CE2-CG2 3.74Å; F42-I239 HydrophobicContact CG-CG2 3.52Å; F42-I239 HydrophobicContact CZ-CG2 3.81Å; T217-I239 HydrophobicContact CG2-CD1 3.66Å; T217-I239 HydrophobicContact CG2-CG1 3.78Å; V218-I239 PolarHBondContact O-N 3.38Å; I219-I239 WeakPolarHBondContact CA-O 3.39Å; I219-I239 HydrophobicContact CG1-CB 4.43Å; L220-I239 PolarHBondContact N-O 3.25Å; I239-V241 HydrophobicContact CG2-CG2 4Å
240E98.2Very high97.9Very high62 Ų6242.2 Ų42.229%0.2923%0.234SC..EExtended strand (participates in β ladder)trans-85.9136.7171.5-68.6-18091.300109.6L220 A222 G223 K228 I238L220-E240 CarbonylContact O-C 3.51Å; L220-E240 VanDerWaalsContact O-CA 3.32Å; L220-E240 WeakPolarHBondContact O-CA 3.31Å; A222-E240 HydrophobicContact CB-CB 4.27Å; G223-E240 PolarHBondContact N-OE1 3.24Å; K228-E240 WeakPolarHBondContact CE-OE2 3.43Å; K228-E240 IonicContact NZ-OE2 2.81Å; K228-E240 PolarHBondContact NZ-OE2 2.97Å; I238-E240 HydrophobicContact CG2-CG 3.98Å
241V98.2Very high97.9Very high0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-130.1133179.9-166.10000110.1E38 L39 F42 I219 L220 P221 A222 I239 M243E38-V241 HydrophobicContact CG-CG1 4.2Å; L39-V241 HydrophobicContact CB-CG1 4.33Å; F42-V241 HydrophobicContact CD2-CG1 4.34Å; F42-V241 HydrophobicContact CD2-CG2 3.58Å; F42-V241 HydrophobicContact CE2-CG1 4.37Å; F42-V241 HydrophobicContact CE2-CG2 3.83Å; I219-V241 HydrophobicContact CG2-CG2 3.47Å; I219-V241 VanDerWaalsContact CG2-CG2 3.47Å; L220-V241 PolarHBondContact O-N 2.93Å; P221-V241 WeakPolarHBondContact CA-O 3.48Å; A222-V241 PolarHBondContact N-O 2.99Å; I239-V241 HydrophobicContact CG2-CG2 4Å; V241-M243 HydrophobicContact CB-CE 3.95Å; V241-M243 HydrophobicContact CG1-CE 3.54Å; V241-M243 PolarHBondContact O-N 3.46Å
242E98.5Very high98Very high107 Ų10741.1 Ų41.150%0.523%0.225SC..  trans-68.9124.6174.7-69.7-62.3154.300110.1Q35 A222Q35-E242 WeakPolarHBondContact CB-O 3.44Å; Q35-E242 VanDerWaalsContact CD-O 3.32Å; Q35-E242 HydrophobicContact CG-CB 4.17Å; Q35-E242 WeakPolarHBondContact CG-O 3.39Å; A222-E242 WeakPolarHBondContact CB-OE1 3.21Å
243M98.6Very high98Very high2 Ų237 Ų371%0.0120%0.203CC..  trans-128.215.6-176-71-65172.200113.2L39 V241 E245 F246 M247 A252 V253L39-M243 HydrophobicContact CB-CE 3.84Å; L39-M243 HydrophobicContact CD1-CE 4.21Å; L39-M243 HydrophobicContact CD2-CE 3.7Å; L39-M243 HydrophobicContact CG-CE 4.1Å; V241-M243 HydrophobicContact CB-CE 3.95Å; V241-M243 HydrophobicContact CG1-CE 3.54Å; V241-M243 PolarHBondContact O-N 3.46Å; M243-E245 PolarHBondContact O-N 2.84Å; M243-F246 PolarHBondContact O-N 3.31Å; M243-F246 HydrophobicContact SD-CD2 3.87Å; M243-M247 HydrophobicContact CB-CE 4.01Å; M243-M247 HydrophobicContact CB-CG 4.25Å; M243-M247 WeakPolarHBondContact O-CG 3.47Å; M243-M247 PolarHBondContact O-N 2.96Å; M243-A252 HydrophobicContact CB-CB 3.97Å; M243-A252 HydrophobicContact CG-CB 4.04Å; M243-V253 HydrophobicContact CE-CB 4.44Å; M243-V253 HydrophobicContact CE-CG2 3.71Å; M243-V253 HydrophobicContact CG-CG2 4.22Å
244S98.2Very high98.1Very high50 Ų5032.8 Ų32.835%0.3517%0.174SC..Hα-helixtrans-52.6-36.2-170.869.30000114Q35 K248Q35-S244 PolarHBondContact NE2-OG 3.13Å; S244-K248 WeakPolarHBondContact O-CG 3.39Å
245E98.7Very high98.1Very high12 Ų1228.7 Ų28.76%0.05616%0.155CC..Hα-helixtrans-78.2-34.2-178.2-61.4-53.6119.600112.8F13 V27 D28 V31 A32 M243 K248F13-E245 WeakPolarHBondContact CE1-O 3.49Å; V27-E245 WeakPolarHBondContact CA-OE2 3.44Å; V27-E245 HydrophobicContact CG1-CB 4.41Å; D28-E245 PolarHBondContact N-OE2 3.43Å; V31-E245 HydrophobicContact CB-CG 3.64Å; V31-E245 HydrophobicContact CG1-CG 3.47Å; V31-E245 VanDerWaalsContact CG1-CG 3.47Å; A32-E245 HydrophobicContact CB-CB 3.81Å; A32-E245 HydrophobicContact CB-CG 4.17Å; M243-E245 PolarHBondContact O-N 2.84Å; E245-K248 WeakPolarHBondContact OE1-CE 3.42Å; E245-K248 IonicContact OE1-NZ 3.81Å; E245-K248 PolarHBondContact OE1-NZ 2.99Å; E245-K248 IonicContact OE2-NZ 2.69Å; E245-K248 PolarHBondContact OE2-NZ 2.86Å
246F98.7Very high98.2Very high0 Ų026.1 Ų26.10%013%0.129CC..Hα-helixtrans-75.1-34.8177.1-63-73.6000111.5P10 F13 A32 Q35 W36 V63 F64 M243 K248 S249 G250 G251 L256P10-F246 HydrophobicContact CB-CE1 4.24Å; P10-F246 HydrophobicContact CB-CZ 4.14Å; P10-F246 HydrophobicContact CG-CZ 4.41Å; F13-F246 HydrophobicContact CD1-CD1 4.14Å; F13-F246 AromaticContact CD1-CE1 3.87Å; F13-F246 HydrophobicContact CD1-CE1 3.87Å; F13-F246 AromaticContact CE1-CD1 3.7Å; F13-F246 HydrophobicContact CE1-CD1 3.7Å; F13-F246 AromaticContact CE1-CE1 3.91Å; F13-F246 HydrophobicContact CE1-CE1 3.91Å; F13-F246 HydrophobicContact CE1-CG 4.4Å; F13-F246 HydrophobicContact CG-CE1 4.43Å; F13-F246 AromaticContact CZ-CD1 3.98Å; F13-F246 HydrophobicContact CZ-CD1 3.98Å; A32-F246 HydrophobicContact CB-CZ 4.3Å; Q35-F246 HydrophobicContact CB-CD2 4.36Å; Q35-F246 HydrophobicContact CB-CE2 3.89Å; W36-F246 HydrophobicContact CB-CE2 4.3Å; W36-F246 HydrophobicContact CB-CZ 3.97Å; V63-F246 HydrophobicContact CB-CE1 4.3Å; V63-F246 HydrophobicContact CG2-CD1 4.41Å; V63-F246 HydrophobicContact CG2-CE1 4.27Å; F64-F246 HydrophobicContact CE1-CB 4.33Å; F64-F246 HydrophobicContact CE1-CD1 4.16Å; F64-F246 HydrophobicContact CZ-CD1 4.45Å; M243-F246 PolarHBondContact O-N 3.31Å; M243-F246 HydrophobicContact SD-CD2 3.87Å; F246-K248 PolarHBondContact O-N 2.95Å; F246-S249 PolarHBondContact O-N 3.18Å; F246-G250 PolarHBondContact O-N 2.89Å; F246-G251 CarbonylContact C-O 3.54Å; F246-G251 WeakPolarHBondContact CB-O 3.17Å; F246-G251 PolarHBondContact O-N 3.44Å; F246-G251 VanDerWaalsContact O-O 3.1Å; F246-L256 HydrophobicContact CB-CD1 3.97Å; F246-L256 HydrophobicContact CD1-CD1 3.66Å; F246-L256 HydrophobicContact CD1-CD2 4.03Å; F246-L256 HydrophobicContact CD1-CG 4.21Å; F246-L256 HydrophobicContact CD2-CD1 4.32Å; F246-L256 HydrophobicContact CD2-CD2 3.89Å; F246-L256 HydrophobicContact CE1-CD1 4.26Å; F246-L256 HydrophobicContact CE1-CD2 3.88Å; F246-L256 HydrophobicContact CE1-CG 4.31Å; F246-L256 HydrophobicContact CE2-CD2 3.75Å; F246-L256 HydrophobicContact CG-CD1 3.7Å; F246-L256 HydrophobicContact CG-CD2 4.04Å; F246-L256 HydrophobicContact CG-CG 4.45Å; F246-L256 HydrophobicContact CZ-CD2 3.76Å
247M98.2Very high98.3Very high41 Ų4125.7 Ų25.720%0.20213%0.127CC..Hα-helixtrans-60.8-31.4176.5-73-177.6-179.800112.4K206 F207 P221 M243 S249 G250 G251 A252K206-M247 WeakPolarHBondContact O-CE 3.5Å; F207-M247 HydrophobicContact CB-CE 4.11Å; F207-M247 HydrophobicContact CD2-CB 4.35Å; F207-M247 HydrophobicContact CD2-CE 4.28Å; F207-M247 HydrophobicContact CD2-CG 3.79Å; F207-M247 HydrophobicContact CD2-SD 4.05Å; F207-M247 HydrophobicContact CE2-CB 4.16Å; F207-M247 HydrophobicContact CE2-CG 4.1Å; F207-M247 HydrophobicContact CG-CE 4.47Å; F207-M247 HydrophobicContact CG-CG 4.2Å; P221-M247 HydrophobicContact CB-CE 3.46Å; P221-M247 VanDerWaalsContact CB-CE 3.46Å; P221-M247 HydrophobicContact CG-CE 4.35Å; M243-M247 HydrophobicContact CB-CE 4.01Å; M243-M247 HydrophobicContact CB-CG 4.25Å; M243-M247 WeakPolarHBondContact O-CG 3.47Å; M243-M247 PolarHBondContact O-N 2.96Å; M247-S249 PolarHBondContact O-N 3.4Å; M247-S249 VanDerWaalsContact O-N 3.12Å; M247-G250 PolarHBondContact O-N 2.89Å; M247-G251 WeakPolarHBondContact CA-O 3.44Å; M247-G251 PolarHBondContact N-O 2.88Å; M247-A252 HydrophobicContact CG-CB 4.49Å
248K98.3Very high98.3Very high61 Ų6120 Ų2027%0.26510%0.1SC..THydrogen-bonded Turntrans-59.5-20.7173.2-67.4171.3-175.8172.60113.6I15 M23 D24 V26 S244 E245 F246I15-K248 HydrophobicContact CD1-CB 3.83Å; I15-K248 WeakPolarHBondContact CD1-O 3.49Å; M23-K248 WeakPolarHBondContact CA-O 3.45Å; D24-K248 PolarHBondContact N-O 2.93Å; V26-K248 PolarHBondContact O-NZ 3.32Å; S244-K248 WeakPolarHBondContact O-CG 3.39Å; E245-K248 WeakPolarHBondContact OE1-CE 3.42Å; E245-K248 IonicContact OE1-NZ 3.81Å; E245-K248 PolarHBondContact OE1-NZ 2.99Å; E245-K248 IonicContact OE2-NZ 2.69Å; E245-K248 PolarHBondContact OE2-NZ 2.86Å; F246-K248 PolarHBondContact O-N 2.95Å
249S97.8Very high98.3Very high1 Ų121 Ų211%0.00710%0.104CC..THydrogen-bonded Turntrans-107.85.3174.9-160.30000112.6N20 M23 F246 M247N20-S249 PolarHBondContact ND2-O 3.07Å; M23-S249 WeakPolarHBondContact CE-OG 3.04Å; F246-S249 PolarHBondContact O-N 3.18Å; M247-S249 PolarHBondContact O-N 3.4Å; M247-S249 VanDerWaalsContact O-N 3.12Å
250G97.3Very high98.3Very high0 Ų021.9 Ų21.90%011%0.108CC..THydrogen-bonded Turntrans85.527.7176.900000115.2Y161 F207 F246 M247Y161-G250 PolarHBondContact OH-O 2.99Å; F207-G250 WeakPolarHBondContact CE1-O 3.45Å; F246-G250 PolarHBondContact O-N 2.89Å; M247-G250 PolarHBondContact O-N 2.89Å
251G97.6Very high98.3Very high0 Ų019.9 Ų19.90%010%0.099CC..  trans-139.1161.2173.900000113.2F246 M247F246-G251 CarbonylContact C-O 3.54Å; F246-G251 WeakPolarHBondContact CB-O 3.17Å; F246-G251 PolarHBondContact O-N 3.44Å; F246-G251 VanDerWaalsContact O-O 3.1Å; M247-G251 WeakPolarHBondContact CA-O 3.44Å; M247-G251 PolarHBondContact N-O 2.88Å
252A98.5Very high98.3Very high0 Ų020.9 Ų20.90%010%0.104CC..  trans-143.9-136.3173.800000110.5F207 N210 P221 M243 M247 Q254 C255 L256F207-A252 HydrophobicContact CB-CB 3.98Å; F207-A252 HydrophobicContact CD1-CB 4.38Å; F207-A252 HydrophobicContact CG-CB 4.38Å; N210-A252 HydrophobicContact CB-CB 4.04Å; N210-A252 VanDerWaalsContact OD1-CA 3.29Å; N210-A252 WeakPolarHBondContact OD1-CA 3.33Å; N210-A252 PolarHBondContact OD1-N 3.17Å; N210-A252 PolarHBondContact OD1-O 2.93Å; P221-A252 HydrophobicContact CB-CB 4.36Å; P221-A252 HydrophobicContact CG-CB 3.66Å; M243-A252 HydrophobicContact CB-CB 3.97Å; M243-A252 HydrophobicContact CG-CB 4.04Å; M247-A252 HydrophobicContact CG-CB 4.49Å; A252-Q254 PolarHBondContact O-N 3.47Å; A252-C255 PolarHBondContact O-N 3.34Å; A252-L256 WeakPolarHBondContact O-CD1 3.38Å; A252-L256 PolarHBondContact O-N 2.99Å
253V98.6Very high98.3Very high0 Ų016.1 Ų16.10%08%0.082CC..THydrogen-bonded Turntrans-55.7-53.8-169.6178.60000112.4L39 N210 I212 I219 P221 M243 C255 L256L39-V253 HydrophobicContact CD1-CG1 3.83Å; N210-V253 WeakPolarHBondContact O-CB 3.2Å; N210-V253 PolarHBondContact O-N 2.75Å; N210-V253 VanDerWaalsContact O-N 3.15Å; N210-V253 PolarHBondContact OD1-N 3.35Å; I212-V253 HydrophobicContact CD1-CG1 4.2Å; I212-V253 HydrophobicContact CG1-CG1 3.91Å; I212-V253 HydrophobicContact CG2-CG1 4.35Å; I219-V253 HydrophobicContact CB-CG1 4.06Å; I219-V253 HydrophobicContact CG2-CG1 3.75Å; I219-V253 HydrophobicContact CG2-CG2 4.17Å; P221-V253 HydrophobicContact CG-CG2 4.05Å; M243-V253 HydrophobicContact CE-CB 4.44Å; M243-V253 HydrophobicContact CE-CG2 3.71Å; M243-V253 HydrophobicContact CG-CG2 4.22Å; V253-C255 PolarHBondContact O-N 3.11Å; V253-L256 PolarHBondContact O-N 2.91Å
254Q98.6Very high98.2Very high4 Ų416.9 Ų16.92%0.0199%0.087CC..THydrogen-bonded Turntrans-65.4-42-176.4178.6150.5-64.900111.4C66 D164 N210 A211 I212 A252 L256 I257C66-Q254 VanDerWaalsContact CB-O 3.28Å; C66-Q254 WeakPolarHBondContact CB-O 3.23Å; D164-Q254 HydrophobicContact CB-CG 4.33Å; N210-Q254 PolarHBondContact O-N 2.91Å; N210-Q254 PolarHBondContact OD1-N 3.15Å; N210-Q254 VanDerWaalsContact OD1-N 3.14Å; A211-Q254 PolarHBondContact O-OE1 3.35Å; I212-Q254 HydrophobicContact CG2-CB 3.74Å; I212-Q254 HydrophobicContact CG2-CG 4.1Å; A252-Q254 PolarHBondContact O-N 3.47Å; Q254-L256 PolarHBondContact O-N 3.36Å; Q254-L256 VanDerWaalsContact O-N 3.17Å; Q254-I257 PolarHBondContact O-N 3.02Å
255C98.8Very high98.2Very high2 Ų214.9 Ų14.91%0.0147%0.07CC..THydrogen-bonded Turntrans-59.2-32.2-178.1-68.40000112.9F64 A65 C66 D164 N210 A252 V253 I257F64-C255 CarbonylContact C-O 3.57Å; F64-C255 WeakPolarHBondContact CA-O 3.39Å; F64-C255 HydrophobicContact CB-CB 4.42Å; F64-C255 HydrophobicContact CD1-CB 3.61Å; F64-C255 HydrophobicContact CE1-CB 4.34Å; F64-C255 HydrophobicContact CG-CB 4.39Å; A65-C255 PolarHBondContact N-O 2.65Å; C66-C255 WeakPolarHBondContact CB-O 2.76Å; C66-C255 PolarHBondContact N-O 3.17Å; C66-C255 VanDerWaalsContact N-O 3.11Å; D164-C255 PolarHBondContact OD2-SG 3.13Å; N210-C255 PolarHBondContact ND2-SG 2.92Å; N210-C255 PolarHBondContact OD1-N 2.62Å; N210-C255 VanDerWaalsContact OD1-N 3.14Å; A252-C255 PolarHBondContact O-N 3.34Å; V253-C255 PolarHBondContact O-N 3.11Å; C255-I257 VanDerWaalsContact C-N 3.25Å; C255-I257 PolarHBondContact O-N 3.43Å
256L98.9Very high98.2Very high0 Ų015.1 Ų15.10%07%0.071CC..THydrogen-bonded Turntrans-75.5-10.7-175.6-92.572.1000114.2L39 V63 F64 F246 A252 V253 Q254L39-L256 HydrophobicContact CD2-CB 3.77Å; L39-L256 HydrophobicContact CD2-CD2 3.86Å; L39-L256 HydrophobicContact CD2-CG 4.47Å; V63-L256 WeakPolarHBondContact O-CA 3.32Å; F64-L256 HydrophobicContact CD1-CD1 3.89Å; F64-L256 HydrophobicContact CE1-CD1 3.84Å; F246-L256 HydrophobicContact CB-CD1 3.97Å; F246-L256 HydrophobicContact CD1-CD1 3.66Å; F246-L256 HydrophobicContact CD1-CD2 4.03Å; F246-L256 HydrophobicContact CD1-CG 4.21Å; F246-L256 HydrophobicContact CD2-CD1 4.32Å; F246-L256 HydrophobicContact CD2-CD2 3.89Å; F246-L256 HydrophobicContact CE1-CD1 4.26Å; F246-L256 HydrophobicContact CE1-CD2 3.88Å; F246-L256 HydrophobicContact CE1-CG 4.31Å; F246-L256 HydrophobicContact CE2-CD2 3.75Å; F246-L256 HydrophobicContact CG-CD1 3.7Å; F246-L256 HydrophobicContact CG-CD2 4.04Å; F246-L256 HydrophobicContact CG-CG 4.45Å; F246-L256 HydrophobicContact CZ-CD2 3.76Å; A252-L256 WeakPolarHBondContact O-CD1 3.38Å; A252-L256 PolarHBondContact O-N 2.99Å; V253-L256 PolarHBondContact O-N 2.91Å; Q254-L256 PolarHBondContact O-N 3.36Å; Q254-L256 VanDerWaalsContact O-N 3.17Å
257I98.7Very high98.2Very high1 Ų116.1 Ų16.11%0.0058%0.076CC..  trans-125.3138.8-173.770.8149.1000112.2V5 M7 L39 L43 C66 I212 Q254 C255 K259V5-I257 HydrophobicContact CB-CB 4.36Å; V5-I257 HydrophobicContact CG1-CD1 3.88Å; M7-I257 HydrophobicContact CE-CG2 4.42Å; M7-I257 HydrophobicContact CG-CG2 3.93Å; M7-I257 HydrophobicContact SD-CG2 4.1Å; L39-I257 HydrophobicContact CD2-CG2 4.29Å; L43-I257 HydrophobicContact CD1-CG2 3.84Å; C66-I257 WeakPolarHBondContact CA-O 3.21Å; C66-I257 WeakPolarHBondContact CB-O 3.43Å; C66-I257 PolarHBondContact N-O 3.1Å; I212-I257 HydrophobicContact CD1-CD1 3.39Å; I212-I257 HydrophobicContact CD1-CG1 4.36Å; I212-I257 HydrophobicContact CG2-CD1 4.08Å; I212-I257 HydrophobicContact CG2-CG1 4.4Å; Q254-I257 PolarHBondContact O-N 3.02Å; C255-I257 VanDerWaalsContact C-N 3.25Å; C255-I257 PolarHBondContact O-N 3.43Å; I257-K259 HydrophobicContact CD1-CG 4.13Å
258L98.7Very high98.2Very high6 Ų614.2 Ų14.23%0.0317%0.066CC..EExtended strand (participates in β ladder)trans-104.7121.3161.7178.770.6000108.9V5 L6 A65 A68 G69 V71 F97 L260V5-L258 CarbonylContact C-O 3.48Å; V5-L258 WeakPolarHBondContact CA-O 2.97Å; V5-L258 WeakPolarHBondContact CB-O 3.33Å; L6-L258 HydrophobicContact CB-CB 4.2Å; L6-L258 HydrophobicContact CD2-CD2 4.38Å; L6-L258 PolarHBondContact N-O 2.68Å; L6-L258 PolarHBondContact O-N 3.05Å; A65-L258 HydrophobicContact CB-CB 4.47Å; A68-L258 HydrophobicContact CB-CD2 4.4Å; G69-L258 WeakPolarHBondContact O-CD1 3.44Å; V71-L258 HydrophobicContact CG2-CD1 4.38Å; V71-L258 HydrophobicContact CG2-CD2 4.16Å; V71-L258 HydrophobicContact CG2-CG 4.28Å; F97-L258 HydrophobicContact CE1-CD2 3.46Å; F97-L258 VanDerWaalsContact CE1-CD2 3.46Å; F97-L258 HydrophobicContact CZ-CD2 3.4Å; F97-L258 VanDerWaalsContact CZ-CD2 3.4Å; L258-L260 HydrophobicContact CD2-CD2 4.02Å; L258-L260 HydrophobicContact CG-CD2 4.23Å
259K97.9Very high98.2Very high59 Ų5910.3 Ų10.326%0.2575%0.05SC..EExtended strand (participates in β ladder)trans-70.9126176.2-61164.3-173.7165.50108.7F2 V71 I257F2-K259 HydrophobicContact CB-CB 4.14Å; F2-K259 HydrophobicContact CD1-CB 3.87Å; F2-K259 HydrophobicContact CD1-CD 3.72Å; F2-K259 HydrophobicContact CD1-CG 3.65Å; F2-K259 HydrophobicContact CD2-CB 4.38Å; F2-K259 HydrophobicContact CD2-CG 4.19Å; F2-K259 HydrophobicContact CE1-CB 4.44Å; F2-K259 HydrophobicContact CE1-CD 3.54Å; F2-K259 HydrophobicContact CE1-CG 3.7Å; F2-K259 HydrophobicContact CE2-CG 4.21Å; F2-K259 HydrophobicContact CG-CB 3.86Å; F2-K259 HydrophobicContact CG-CD 4.49Å; F2-K259 HydrophobicContact CG-CG 3.93Å; F2-K259 HydrophobicContact CZ-CD 4.15Å; F2-K259 HydrophobicContact CZ-CG 3.98Å; V71-K259 WeakPolarHBondContact CB-O 3.14Å; I257-K259 HydrophobicContact CD1-CG 4.13Å
260L96.8Very high98.2Very high51 Ų5111.2 Ų11.227%0.2675%0.054SC..  trans-109.50-179.2-56.8177.1000112F2 K4 L6 L51 V71 W96 L258F2-L260 WeakPolarHBondContact CB-O 3.47Å; K4-L260 HydrophobicContact CB-CB 4.07Å; K4-L260 HydrophobicContact CB-CD1 4.19Å; K4-L260 PolarHBondContact O-N 2.96Å; L6-L260 HydrophobicContact CB-CD1 4.14Å; L6-L260 HydrophobicContact CB-CD2 4.33Å; L6-L260 HydrophobicContact CB-CG 4.37Å; L51-L260 HydrophobicContact CD1-CD1 3.84Å; V71-L260 HydrophobicContact CG2-CD2 4.05Å; W96-L260 HydrophobicContact CH2-CD1 3.78Å; W96-L260 HydrophobicContact CZ3-CD1 4.32Å; W96-L260 HydrophobicContact CZ3-CD2 4.38Å; L258-L260 HydrophobicContact CD2-CD2 4.02Å; L258-L260 HydrophobicContact CG-CD2 4.23Å

Retrieved 260 of 260 residues in 86.1 ms (Link to these results)

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