A0A3P9P2Z5_POERE Loading...

RAB22A, member RAS oncogene family

AlphaFold DB , UniProt , Accession A0A3P9P2Z5, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 194 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
1M65.8Low92.3Very high167 Ų16748.6 Ų48.682%0.82325%0.252SS*.  0135.50-62.4178.3-156.700107.4M53M1-M53 HydrophobicContact CB-CG 4.23Å; M1-M53 HydrophobicContact SD-SD 4.28Å
2A85Confident92.7Very high62 Ų6244.7 Ų44.751%0.51223%0.232SC..EExtended strand (participates in β ladder)trans-70.4140179.300000110.2E52 M53A2-E52 HydrophobicContact CB-CG 4.46Å; A2-M53 PolarHBondContact O-N 3.29Å
3L90.6Very high92.9Very high107 Ų10744.2 Ų44.256%0.5623%0.23SC*.EExtended strand (participates in β ladder)trans-99.8126.2174.1-178.671000109T46 M53 K55L3-T46 HydrophobicContact CD1-CG2 4.2Å; L3-M53 CarbonylContact C-O 3.59Å; L3-M53 WeakPolarHBondContact CA-O 3.21Å; L3-M53 HydrophobicContact CD1-CB 3.76Å; L3-K55 HydrophobicContact CD1-CB 3.95Å
4R92.4Very high93Very high41 Ų4145.7 Ų45.716%0.15524%0.242CC..EExtended strand (participates in β ladder)trans-120.5122.2-179.4-170.2178.8179.5-169.71.1110L6 M53 H54 K55 I166 P167R4-L6 HydrophobicContact CG-CD2 3.97Å; R4-M53 PolarHBondContact N-O 3.29Å; R4-H54 CarbonylContact O-C 3.59Å; R4-H54 WeakPolarHBondContact O-CA 3.34Å; R4-K55 PolarHBondContact O-N 3.48Å; R4-I166 PolarHBondContact NH1-O 3.06Å; R4-P167 VanDerWaalsContact CZ-O 3.24Å; R4-P167 PolarHBondContact NH1-O 2.98Å; R4-P167 VanDerWaalsContact NH1-O 3.15Å; R4-P167 PolarHBondContact NH2-O 3.09Å
5E95.4Very high93.2Very high109 Ų10945.9 Ų45.951%0.50926%0.26SS..EExtended strand (participates in β ladder)trans-89.8125.4177.4-61.3-162.4143.800110.9K55 L57E5-K55 WeakPolarHBondContact CA-O 3.43Å; E5-K55 HydrophobicContact CG-CB 4.42Å; E5-K55 HydrophobicContact CG-CD 4.25Å; E5-K55 IonicContact OE1-NZ 3.5Å; E5-K55 PolarHBondContact OE1-NZ 2.74Å; E5-L57 HydrophobicContact CB-CD1 4.21Å
6L96.4Very high93.5Very high3 Ų343.3 Ų43.32%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-119.9104.8-177.3-57.9-178.9000109.2R4 V8 H54 K55 F56 L57 I166R4-L6 HydrophobicContact CG-CD2 3.97Å; L6-V8 PolarHBondContact O-N 3.42Å; L6-H54 HydrophobicContact CD1-CB 3.95Å; L6-K55 PolarHBondContact N-O 3.04Å; L6-F56 HydrophobicContact CB-CD1 3.97Å; L6-F56 HydrophobicContact CB-CE1 4.14Å; L6-F56 HydrophobicContact CD1-CD1 4.39Å; L6-F56 HydrophobicContact CD1-CE1 3.81Å; L6-F56 HydrophobicContact CD1-CZ 4.13Å; L6-F56 WeakPolarHBondContact O-CA 3.48Å; L6-L57 PolarHBondContact O-N 2.59Å; L6-I166 HydrophobicContact CD1-CD1 4.06Å; L6-I166 HydrophobicContact CD2-CD1 3.97Å; L6-I166 HydrophobicContact CD2-CG2 4.27Å; L6-I166 HydrophobicContact CG-CD1 4.42Å
7K97.3Very high93.7Very high45 Ų4541.4 Ų41.420%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-74.1123.9172.9-177.2179.7169.4178.60110.1L57 Y74 R76 S78 A79 A80K7-L57 WeakPolarHBondContact CA-O 3.29Å; K7-Y74 WeakPolarHBondContact CE-O 3.4Å; K7-Y74 PolarHBondContact NZ-O 3.4Å; K7-R76 PolarHBondContact NZ-O 2.75Å; K7-S78 WeakPolarHBondContact CE-OG 3.32Å; K7-S78 CarbonylContact O-C 3.58Å; K7-A79 PolarHBondContact O-N 3.02Å; K7-A80 PolarHBondContact O-N 3.43Å
8V98.1Very high94Very high0 Ų039.6 Ų39.60%023%0.226CC..EExtended strand (participates in β ladder)trans-127.9138.1178.6-178.20000109L6 F56 L57 I58 W59 A80 I82 I162L6-V8 PolarHBondContact O-N 3.42Å; V8-F56 HydrophobicContact CG2-CD1 3.66Å; V8-F56 HydrophobicContact CG2-CE1 4.04Å; V8-L57 PolarHBondContact N-O 2.64Å; V8-I58 CarbonylContact O-C 3.34Å; V8-I58 WeakPolarHBondContact O-CA 3.48Å; V8-W59 PolarHBondContact O-N 3.15Å; V8-A80 WeakPolarHBondContact CA-O 3.28Å; V8-A80 HydrophobicContact CG2-CB 4.23Å; V8-I82 HydrophobicContact CG1-CD1 3.97Å; V8-I82 HydrophobicContact CG1-CG1 3.99Å; V8-I162 HydrophobicContact CG1-CD1 4.49Å
9C97.8Very high94.2Very high0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-119.8142.817256.70000110.9W59 Y75 A80 A81 I82C9-W59 CarbonylContact C-O 3.45Å; C9-W59 WeakPolarHBondContact CA-O 3.05Å; C9-W59 HydrophobicContact CB-CB 4.08Å; C9-Y75 WeakPolarHBondContact SG-CB 3.1Å; C9-A80 PolarHBondContact N-O 3.29Å; C9-A81 CarbonylContact O-C 3.54Å; C9-A81 VanDerWaalsContact O-CA 3.28Å; C9-A81 WeakPolarHBondContact O-CA 3.4Å; C9-I82 PolarHBondContact O-N 3.06Å
10L98.4Very high94.4Very high0 Ų037.2 Ų37.20%022%0.215CC..EExtended strand (participates in β ladder)trans-97.8132.6171.9-72.279.9000109.4K18 I21 V22 I58 W59 T61 I82 V84L10-K18 HydrophobicContact CB-CB 4.15Å; L10-K18 HydrophobicContact CB-CD 4.18Å; L10-K18 HydrophobicContact CB-CG 4.33Å; L10-K18 HydrophobicContact CD2-CB 3.92Å; L10-K18 WeakPolarHBondContact CD2-O 3.27Å; L10-I21 HydrophobicContact CD2-CG2 4.47Å; L10-V22 HydrophobicContact CD1-CG2 3.55Å; L10-V22 HydrophobicContact CD2-CG2 3.41Å; L10-V22 VanDerWaalsContact CD2-CG2 3.41Å; L10-V22 HydrophobicContact CG-CG2 4.1Å; L10-I58 HydrophobicContact CD1-CG2 3.38Å; L10-W59 PolarHBondContact N-O 3.37Å; L10-T61 WeakPolarHBondContact O-CB 3.48Å; L10-T61 WeakPolarHBondContact O-CG2 3.49Å; L10-T61 PolarHBondContact O-OG1 3.27Å; L10-I82 CarbonylContact C-O 3.53Å; L10-I82 VanDerWaalsContact CA-O 3.28Å; L10-I82 WeakPolarHBondContact CA-O 3.28Å; L10-I82 HydrophobicContact CG-CB 4.26Å; L10-V84 HydrophobicContact CD2-CG2 4.42Å
11L97.8Very high94.6Very high1 Ų135.4 Ų35.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-127.5161.3177.3-59.3174.1000109.8K18 T61 A71 Y75 I82 I83 V84 W99 L103L11-K18 VanDerWaalsContact C-CD 3.45Å; L11-K18 WeakPolarHBondContact O-CD 3.48Å; L11-T61 HydrophobicContact CD2-CG2 4.31Å; L11-A71 HydrophobicContact CD2-CB 4.37Å; L11-Y75 HydrophobicContact CD1-CD1 4.14Å; L11-I82 PolarHBondContact N-O 2.9Å; L11-I83 HydrophobicContact CB-CG1 4.38Å; L11-I83 HydrophobicContact CB-CG2 4.45Å; L11-I83 WeakPolarHBondContact O-CA 3.37Å; L11-V84 PolarHBondContact O-N 3.31Å; L11-W99 HydrophobicContact CB-CD2 4.31Å; L11-W99 HydrophobicContact CB-CE3 4.21Å; L11-W99 HydrophobicContact CD1-CE3 4.34Å; L11-W99 HydrophobicContact CD2-CE3 4.37Å; L11-W99 HydrophobicContact CD2-CZ3 4.18Å; L11-L103 HydrophobicContact CD1-CD1 4.24Å
12G97.2Very high96.2Very high1 Ų127.5 Ų27.51%0.0117%0.166CC..  trans131.2170.1-175.800000112K18 G63G12-K18 WeakPolarHBondContact O-CE 3.45Å; G12-K18 PolarHBondContact O-NZ 3.12Å; G12-G63 WeakPolarHBondContact O-CA 3.47Å
13D95.5Very high96.8Very high39 Ų3925.6 Ų25.621%0.20915%0.148CC..  trans-71.7168.8-171.3-71.7-0.7000113.4V16 K18 T95 W99D13-V16 HydrophobicContact CB-CG1 4.01Å; D13-V16 VanDerWaalsContact O-CG2 3.25Å; D13-V16 WeakPolarHBondContact O-CG2 3.37Å; D13-K18 PolarHBondContact O-NZ 3.36Å; D13-T95 WeakPolarHBondContact OD1-CG2 3.3Å; D13-T95 WeakPolarHBondContact OD2-CB 3.38Å; D13-T95 WeakPolarHBondContact OD2-CG2 3.19Å; D13-T95 PolarHBondContact OD2-OG1 3.45Å; D13-W99 PolarHBondContact OD1-NE1 3.06Å; D13-W99 VanDerWaalsContact OD1-NE1 3.17Å
14T94.8Very high97.1Very high65 Ų6522.4 Ų22.440%0.39913%0.128SC..THydrogen-bonded Turntrans-63.7137.3174.5-600000110V16 G63 Q64T14-V16 VanDerWaalsContact C-N 3.31Å; T14-V16 PolarHBondContact O-N 2.69Å; T14-G63 PolarHBondContact N-O 3.34Å; T14-G63 VanDerWaalsContact N-O 3.09Å; T14-G63 PolarHBondContact OG1-O 3.44Å; T14-Q64 HydrophobicContact CG2-CG 4.39Å; T14-Q64 WeakPolarHBondContact OG1-CA 3.32Å; T14-Q64 VanDerWaalsContact OG1-CG 3.24Å; T14-Q64 WeakPolarHBondContact OG1-CG 3.39Å; T14-Q64 PolarHBondContact OG1-N 3.2Å
15G95.5Very high97.4Very high49 Ų4920.6 Ų20.651%0.50512%0.122SC..THydrogen-bonded Turntrans80.9-1.3174.200000116.2G17 K119G15-G17 PolarHBondContact O-N 2.93Å; G15-K119 PolarHBondContact O-NZ 3.48Å
16V97.8Very high97.5Very high4 Ų417.3 Ų17.32%0.02411%0.109CC..SBendtrans-70.2-16173.4-54.80000112.9D13 T14 K18 V84 D86 N118D13-V16 HydrophobicContact CB-CG1 4.01Å; D13-V16 VanDerWaalsContact O-CG2 3.25Å; D13-V16 WeakPolarHBondContact O-CG2 3.37Å; T14-V16 VanDerWaalsContact C-N 3.31Å; T14-V16 PolarHBondContact O-N 2.69Å; V16-K18 HydrophobicContact CG2-CD 4.44Å; V16-K18 HydrophobicContact CG2-CG 3.75Å; V16-V84 HydrophobicContact CB-CG1 4.25Å; V16-V84 HydrophobicContact CG2-CB 3.83Å; V16-V84 HydrophobicContact CG2-CG1 3.8Å; V16-D86 HydrophobicContact CB-CB 4.39Å; V16-D86 HydrophobicContact CG1-CB 4.34Å; V16-N118 PolarHBondContact O-ND2 3.08Å
17G97.9Very high97.6Very high11 Ų1122.9 Ų22.911%0.11314%0.135CC..SBendtrans98.924.9173.900000115.9G15 S19 S20 I21G15-G17 PolarHBondContact O-N 2.93Å; G17-S19 PolarHBondContact O-N 2.84Å; G17-S20 PolarHBondContact O-N 3.17Å; G17-I21 WeakPolarHBondContact O-CG1 3.33Å; G17-I21 PolarHBondContact O-N 3.47Å
18K98.2Very high97.6Very high9 Ų926.1 Ų26.14%0.03916%0.155CC..Hα-helixtrans-50.4-57.1172.9-60-174.9-58.6-73.30111.8L10 L11 G12 D13 V16 S20 I21 V22 D60 T61 V84L10-K18 HydrophobicContact CB-CB 4.15Å; L10-K18 HydrophobicContact CB-CD 4.18Å; L10-K18 HydrophobicContact CB-CG 4.33Å; L10-K18 HydrophobicContact CD2-CB 3.92Å; L10-K18 WeakPolarHBondContact CD2-O 3.27Å; L11-K18 VanDerWaalsContact C-CD 3.45Å; L11-K18 WeakPolarHBondContact O-CD 3.48Å; G12-K18 WeakPolarHBondContact O-CE 3.45Å; G12-K18 PolarHBondContact O-NZ 3.12Å; D13-K18 PolarHBondContact O-NZ 3.36Å; V16-K18 HydrophobicContact CG2-CD 4.44Å; V16-K18 HydrophobicContact CG2-CG 3.75Å; K18-S20 VanDerWaalsContact C-N 3.3Å; K18-S20 PolarHBondContact O-N 3.09Å; K18-I21 WeakPolarHBondContact O-CB 3.41Å; K18-I21 PolarHBondContact O-N 3.34Å; K18-I21 VanDerWaalsContact O-N 3.09Å; K18-V22 WeakPolarHBondContact O-CG2 3.23Å; K18-V22 PolarHBondContact O-N 3.13Å; K18-D60 WeakPolarHBondContact CB-OD1 3.36Å; K18-T61 WeakPolarHBondContact CE-O 3.37Å; K18-V84 HydrophobicContact CG-CB 3.95Å; K18-V84 HydrophobicContact CG-CG2 3.88Å
19S98.1Very high97.5Very high18 Ų1828 Ų2813%0.12617%0.168CC..Hα-helixtrans-58.6-41.8179.5-43.80000111.9G17 I21 V22 C23 T37 D60G17-S19 PolarHBondContact O-N 2.84Å; S19-I21 PolarHBondContact O-N 2.81Å; S19-V22 PolarHBondContact O-N 2.98Å; S19-V22 VanDerWaalsContact O-N 3.17Å; S19-C23 WeakPolarHBondContact O-CB 3.34Å; S19-C23 PolarHBondContact O-N 2.93Å; S19-C23 PolarHBondContact O-SG 3.44Å; S19-C23 VanDerWaalsContact O-SG 3.38Å; S19-T37 PolarHBondContact OG-OG1 3.47Å; S19-D60 WeakPolarHBondContact CA-OD2 3.46Å; S19-D60 VanDerWaalsContact CB-OD2 3.26Å; S19-D60 WeakPolarHBondContact CB-OD2 3.44Å; S19-D60 PolarHBondContact N-OD1 3.06Å; S19-D60 PolarHBondContact OG-OD1 3.17Å; S19-D60 PolarHBondContact OG-OD2 3.3Å
20S98.4Very high97.5Very high13 Ų1331.5 Ų31.59%0.09118%0.183CC..Hα-helixtrans-63.3-38.7176.5-48.40000112.7G17 K18 R24G17-S20 PolarHBondContact O-N 3.17Å; K18-S20 VanDerWaalsContact C-N 3.3Å; K18-S20 PolarHBondContact O-N 3.09Å; S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 3.02Å
21I98.7Very high97.4Very high0 Ų035.6 Ų35.60%021%0.205CC..Hα-helixtrans-63.1-43.9173.4-70.3169.8000110.2L10 G17 K18 S19 R24 F25 V84 A116 N118 A149 I155 F159L10-I21 HydrophobicContact CD2-CG2 4.47Å; G17-I21 WeakPolarHBondContact O-CG1 3.33Å; G17-I21 PolarHBondContact O-N 3.47Å; K18-I21 WeakPolarHBondContact O-CB 3.41Å; K18-I21 PolarHBondContact O-N 3.34Å; K18-I21 VanDerWaalsContact O-N 3.09Å; S19-I21 PolarHBondContact O-N 2.81Å; I21-R24 PolarHBondContact O-N 3.09Å; I21-F25 WeakPolarHBondContact O-CB 3.25Å; I21-F25 PolarHBondContact O-N 2.81Å; I21-V84 HydrophobicContact CD1-CG1 3.8Å; I21-V84 HydrophobicContact CD1-CG2 4.06Å; I21-A116 HydrophobicContact CD1-CB 4.44Å; I21-N118 HydrophobicContact CD1-CB 4.11Å; I21-A149 HydrophobicContact CG1-CB 4.22Å; I21-I155 HydrophobicContact CB-CD1 4.35Å; I21-I155 HydrophobicContact CG1-CD1 3.93Å; I21-I155 HydrophobicContact CG2-CD1 4.17Å; I21-F159 HydrophobicContact CG2-CE2 4.3Å
22V98.3Very high97.1Very high1 Ų140 Ų401%0.00623%0.234CC..Hα-helixtrans-67-47.3179.4-169.50000111.3L10 K18 S19 R24 F25 V26 M43 I58 D60L10-V22 HydrophobicContact CD1-CG2 3.55Å; L10-V22 HydrophobicContact CD2-CG2 3.41Å; L10-V22 VanDerWaalsContact CD2-CG2 3.41Å; L10-V22 HydrophobicContact CG-CG2 4.1Å; K18-V22 WeakPolarHBondContact O-CG2 3.23Å; K18-V22 PolarHBondContact O-N 3.13Å; S19-V22 PolarHBondContact O-N 2.98Å; S19-V22 VanDerWaalsContact O-N 3.17Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 2.94Å; V22-F25 PolarHBondContact O-N 3.05Å; V22-V26 HydrophobicContact CG1-CG2 3.85Å; V22-V26 WeakPolarHBondContact O-CB 3.48Å; V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.45Å; V22-V26 PolarHBondContact O-N 3.25Å; V22-M43 HydrophobicContact CB-CE 3.67Å; V22-M43 HydrophobicContact CG1-CB 4.09Å; V22-M43 HydrophobicContact CG1-CE 3.25Å; V22-M43 HydrophobicContact CG1-CG 4.2Å; V22-M43 HydrophobicContact CG1-SD 3.73Å; V22-I58 HydrophobicContact CG1-CB 4.33Å; V22-I58 HydrophobicContact CG1-CD1 4.21Å; V22-I58 HydrophobicContact CG1-CG2 3.75Å; V22-I58 HydrophobicContact CG2-CG2 3.84Å; V22-D60 HydrophobicContact CG2-CB 4.13Å
23C97.7Very high96.9Very high21 Ų2146.3 Ų46.314%0.14227%0.267CS..Hα-helixtrans-58.6-45.4175.7-700000111.2S19 F25 V26 E27 D28S19-C23 WeakPolarHBondContact O-CB 3.34Å; S19-C23 PolarHBondContact O-N 2.93Å; S19-C23 PolarHBondContact O-SG 3.44Å; S19-C23 VanDerWaalsContact O-SG 3.38Å; C23-F25 VanDerWaalsContact C-N 3.32Å; C23-F25 PolarHBondContact O-N 3.29Å; C23-V26 PolarHBondContact O-N 2.79Å; C23-E27 WeakPolarHBondContact O-CA 3.49Å; C23-E27 WeakPolarHBondContact O-CB 3.25Å; C23-E27 PolarHBondContact O-N 3.44Å; C23-D28 PolarHBondContact O-N 3.27Å
24R98.4Very high96.8Very high40 Ų4047.4 Ų47.415%0.15127%0.273CS..Hα-helixtrans-62.4-40.4176.6179.155.574-172.20.6111.9S20 I21 V22 D28 S29 A149 K150 A152 I155S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 3.02Å; I21-R24 PolarHBondContact O-N 3.09Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 2.94Å; R24-D28 WeakPolarHBondContact CD-OD1 3.3Å; R24-D28 IonicContact CZ-OD1 3.06Å; R24-D28 PolarHBondContact NH1-O 2.79Å; R24-D28 IonicContact NH1-OD1 3.88Å; R24-D28 PolarHBondContact NH1-OD1 2.81Å; R24-D28 VanDerWaalsContact O-CA 3.3Å; R24-D28 WeakPolarHBondContact O-CA 3.42Å; R24-D28 PolarHBondContact O-N 3Å; R24-S29 VanDerWaalsContact CA-O 3.29Å; R24-S29 WeakPolarHBondContact CA-O 3.43Å; R24-S29 PolarHBondContact N-O 3.05Å; R24-A149 HydrophobicContact CB-CB 4.46Å; R24-A149 PolarHBondContact NE-O 3.25Å; R24-K150 PolarHBondContact NH2-O 3.03Å; R24-A152 HydrophobicContact CG-CB 4.24Å; R24-I155 HydrophobicContact CB-CG1 4.46Å; R24-I155 HydrophobicContact CB-CG2 4.26Å; R24-I155 HydrophobicContact CG-CB 4.13Å; R24-I155 HydrophobicContact CG-CD1 4.45Å; R24-I155 HydrophobicContact CG-CG1 3.73Å; R24-I155 HydrophobicContact CG-CG2 3.94Å
25F98.5Very high96.6Very high3 Ų350.9 Ų50.91%0.01329%0.289CS..Hα-helixtrans-68.7-47.7177-178.7-119.8000111.6I21 V22 C23 K45 V47 F56 I58 I155 N156 F159I21-F25 WeakPolarHBondContact O-CB 3.25Å; I21-F25 PolarHBondContact O-N 2.81Å; V22-F25 PolarHBondContact O-N 3.05Å; C23-F25 VanDerWaalsContact C-N 3.32Å; C23-F25 PolarHBondContact O-N 3.29Å; F25-K45 HydrophobicContact CD1-CB 4.23Å; F25-K45 HydrophobicContact CD1-CD 3.93Å; F25-K45 HydrophobicContact CD2-CD 4.21Å; F25-K45 HydrophobicContact CE1-CB 3.78Å; F25-K45 HydrophobicContact CE1-CD 3.75Å; F25-K45 HydrophobicContact CE1-CG 3.98Å; F25-K45 HydrophobicContact CE2-CD 4.02Å; F25-K45 HydrophobicContact CG-CD 4.18Å; F25-K45 HydrophobicContact CZ-CB 4.41Å; F25-K45 HydrophobicContact CZ-CD 3.79Å; F25-K45 HydrophobicContact CZ-CG 4.13Å; F25-K45 WeakPolarHBondContact O-CD 3.45Å; F25-K45 WeakPolarHBondContact O-CE 3.12Å; F25-K45 PolarHBondContact O-NZ 2.86Å; F25-V47 HydrophobicContact CE2-CG1 4.19Å; F25-V47 HydrophobicContact CZ-CG1 3.76Å; F25-F56 HydrophobicContact CE1-CD2 4.02Å; F25-F56 HydrophobicContact CE1-CG 4.46Å; F25-F56 AromaticContact CZ-CD2 3.96Å; F25-F56 HydrophobicContact CZ-CD2 3.96Å; F25-F56 HydrophobicContact CZ-CE2 4.2Å; F25-I58 HydrophobicContact CD1-CD1 3.7Å; F25-I58 HydrophobicContact CE1-CD1 3.91Å; F25-I155 HydrophobicContact CB-CG2 3.72Å; F25-I155 HydrophobicContact CD2-CG2 4.4Å; F25-N156 WeakPolarHBondContact CD2-OD1 3.48Å; F25-N156 WeakPolarHBondContact CE2-OD1 3.46Å; F25-F159 HydrophobicContact CB-CD2 4.33Å; F25-F159 HydrophobicContact CB-CE2 3.71Å; F25-F159 HydrophobicContact CB-CZ 4.21Å; F25-F159 HydrophobicContact CD1-CD1 4.13Å; F25-F159 AromaticContact CD1-CD2 3.87Å; F25-F159 HydrophobicContact CD1-CD2 3.87Å; F25-F159 AromaticContact CD1-CE1 3.89Å; F25-F159 HydrophobicContact CD1-CE1 3.89Å; F25-F159 AromaticContact CD1-CE2 3.65Å; F25-F159 HydrophobicContact CD1-CE2 3.65Å; F25-F159 HydrophobicContact CD1-CG 4.12Å; F25-F159 AromaticContact CD1-CZ 3.65Å; F25-F159 HydrophobicContact CD1-CZ 3.65Å; F25-F159 AromaticContact CD2-CD2 3.55Å; F25-F159 HydrophobicContact CD2-CD2 3.55Å; F25-F159 AromaticContact CD2-CE2 3.84Å; F25-F159 HydrophobicContact CD2-CE2 3.84Å; F25-F159 HydrophobicContact CD2-CG 4.18Å; F25-F159 HydrophobicContact CE1-CB 4.4Å; F25-F159 AromaticContact CE1-CD1 3.74Å; F25-F159 HydrophobicContact CE1-CD1 3.74Å; F25-F159 AromaticContact CE1-CD2 3.97Å; F25-F159 HydrophobicContact CE1-CD2 3.97Å; F25-F159 AromaticContact CE1-CE1 3.92Å; F25-F159 HydrophobicContact CE1-CE1 3.92Å; F25-F159 HydrophobicContact CE1-CE2 4.17Å; F25-F159 AromaticContact CE1-CG 3.77Å; F25-F159 HydrophobicContact CE1-CG 3.77Å; F25-F159 HydrophobicContact CE1-CZ 4.14Å; F25-F159 HydrophobicContact CE2-CB 3.95Å; F25-F159 AromaticContact CE2-CD2 3.68Å; F25-F159 HydrophobicContact CE2-CD2 3.68Å; F25-F159 HydrophobicContact CE2-CE2 4.36Å; F25-F159 AromaticContact CE2-CG 3.85Å; F25-F159 HydrophobicContact CE2-CG 3.85Å; F25-F159 AromaticContact CG-CD2 3.65Å; F25-F159 HydrophobicContact CG-CD2 3.65Å; F25-F159 AromaticContact CG-CE2 3.45Å; F25-F159 HydrophobicContact CG-CE2 3.45Å; F25-F159 VanDerWaalsContact CG-CE2 3.45Å; F25-F159 HydrophobicContact CG-CG 4.3Å; F25-F159 AromaticContact CG-CZ 3.94Å; F25-F159 HydrophobicContact CG-CZ 3.94Å; F25-F159 HydrophobicContact CZ-CB 3.79Å; F25-F159 HydrophobicContact CZ-CD1 4.02Å; F25-F159 AromaticContact CZ-CD2 3.88Å; F25-F159 HydrophobicContact CZ-CD2 3.88Å; F25-F159 HydrophobicContact CZ-CE2 4.5Å; F25-F159 AromaticContact CZ-CG 3.63Å; F25-F159 HydrophobicContact CZ-CG 3.63Å
26V97.8Very high96.4Very high41 Ų4152.3 Ų52.325%0.24829%0.289CS..Hα-helixtrans-80-44-170.3178.20000112.3V22 C23 M43 K45 I58V22-V26 HydrophobicContact CG1-CG2 3.85Å; V22-V26 WeakPolarHBondContact O-CB 3.48Å; V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.45Å; V22-V26 PolarHBondContact O-N 3.25Å; C23-V26 PolarHBondContact O-N 2.79Å; V26-M43 HydrophobicContact CB-SD 3.99Å; V26-M43 HydrophobicContact CG1-SD 4.09Å; V26-M43 HydrophobicContact CG2-CB 4.03Å; V26-M43 HydrophobicContact CG2-SD 4Å; V26-K45 HydrophobicContact CG2-CB 4.17Å; V26-I58 HydrophobicContact CG2-CD1 3.9Å
27E97.1Very high96Very high119 Ų11953.5 Ų53.556%0.55630%0.296SS*.Hα-helixtrans-113.9-6.2-167.3-57.8172.9174.900113.2C23 S29C23-E27 WeakPolarHBondContact O-CA 3.49Å; C23-E27 WeakPolarHBondContact O-CB 3.25Å; C23-E27 PolarHBondContact O-N 3.44Å; E27-S29 PolarHBondContact O-N 2.65Å; E27-S29 PolarHBondContact OE2-OG 3.19Å
28D97.4Very high95.5Very high114 Ų11459.5 Ų59.561%0.6132%0.324SS*.SBendtrans5238.8-168.8-162.222.4000112.9C23 R24C23-D28 PolarHBondContact O-N 3.27Å; R24-D28 WeakPolarHBondContact CD-OD1 3.3Å; R24-D28 IonicContact CZ-OD1 3.06Å; R24-D28 PolarHBondContact NH1-O 2.79Å; R24-D28 IonicContact NH1-OD1 3.88Å; R24-D28 PolarHBondContact NH1-OD1 2.81Å; R24-D28 VanDerWaalsContact O-CA 3.3Å; R24-D28 WeakPolarHBondContact O-CA 3.42Å; R24-D28 PolarHBondContact O-N 3Å
29S97.1Very high95.1Very high40 Ų4059.6 Ų59.628%0.2833%0.328SS..  trans-118.2154.4-177.374.40000111.6R24 E27R24-S29 VanDerWaalsContact CA-O 3.29Å; R24-S29 WeakPolarHBondContact CA-O 3.43Å; R24-S29 PolarHBondContact N-O 3.05Å; E27-S29 PolarHBondContact O-N 2.65Å; E27-S29 PolarHBondContact OE2-OG 3.19Å
30F97.7Very high94.8Very high73 Ų7360.3 Ų60.332%0.3234%0.335SS..  trans-144.1127.8170.3174.9-95.6000110P32 A149 K150F30-P32 HydrophobicContact CE1-CB 4.03Å; F30-P32 HydrophobicContact CZ-CB 4.46Å; F30-A149 HydrophobicContact CD2-CB 4.16Å; F30-A149 HydrophobicContact CE2-CB 4.37Å; F30-K150 HydrophobicContact CD1-CB 4.37Å; F30-K150 HydrophobicContact CD1-CG 4.16Å; F30-K150 HydrophobicContact CD2-CB 4.3Å; F30-K150 HydrophobicContact CE1-CB 4.07Å; F30-K150 HydrophobicContact CE1-CG 3.82Å; F30-K150 HydrophobicContact CE2-CB 3.99Å; F30-K150 HydrophobicContact CG-CB 4.48Å; F30-K150 HydrophobicContact CZ-CB 3.87Å; F30-K150 HydrophobicContact CZ-CG 4.09Å
31D96.1Very high94.6Very high85 Ų8562.1 Ų62.146%0.45535%0.347SS..  trans-118.8117.5173-177.7-0.4000109.4N33 I34D31-N33 PolarHBondContact O-N 3.08Å; D31-N33 PolarHBondContact OD1-N 3.42Å; D31-I34 HydrophobicContact CB-CB 4.49Å; D31-I34 PolarHBondContact O-N 3.44Å
32P91.6Very high94.4Very high95 Ų9566.9 Ų66.962%0.61737%0.369SS*.THydrogen-bonded Turntrans-65.2-20.7176.127.6-34.8000113.3F30F30-P32 HydrophobicContact CE1-CB 4.03Å; F30-P32 HydrophobicContact CZ-CB 4.46Å
33N93.1Very high94.4Very high132 Ų13268.2 Ų68.271%0.70638%0.375SS*.THydrogen-bonded Turntrans-105.925-176.6-58.5-52.8000112.6D31 N35D31-N33 PolarHBondContact O-N 3.08Å; D31-N33 PolarHBondContact OD1-N 3.42Å; N33-N35 PolarHBondContact O-N 3.33Å
34I92Very high94.4Very high63 Ų6370.3 Ų70.332%0.32339%0.387SS..PPolyproline II helixtrans-56.4127.2179.4-166.5165000111.2D31D31-I34 HydrophobicContact CB-CB 4.49Å; D31-I34 PolarHBondContact O-N 3.44Å
35N90.8Very high94.4Very high138 Ų13871.1 Ų71.174%0.73839%0.392SS*.PPolyproline II helixtrans-66.3146.3179.1-73.3-52.7000110.9N33 T37N33-N35 PolarHBondContact O-N 3.33Å; N35-T37 PolarHBondContact O-N 3.18Å
36P91.6Very high94.3Very high79 Ų7974.2 Ų74.251%0.51341%0.411SS..PPolyproline II helixtrans-57131174.1-24.834000112.1I38P36-I38 PolarHBondContact O-N 3.31Å
37T88.8Confident94.1Very high28 Ų2873.5 Ų73.517%0.17241%0.407CS..PPolyproline II helixtrans-61.2131174.6-54.10000110.9S19 N35 D60 A62S19-T37 PolarHBondContact OG-OG1 3.47Å; N35-T37 PolarHBondContact O-N 3.18Å; T37-D60 PolarHBondContact OG1-OD2 3.2Å; T37-A62 WeakPolarHBondContact O-CB 3.32Å
38I88.4Confident93.9Very high137 Ų13773.9 Ų73.970%0.70341%0.408SS*.SBendtrans-99118.7173.3-59.2176.5000107.8P36 A40 F67P36-I38 PolarHBondContact O-N 3.31Å; I38-A40 PolarHBondContact O-N 2.9Å; I38-F67 HydrophobicContact CG2-CE2 4.36Å; I38-F67 HydrophobicContact CG2-CZ 3.88Å
39G89.1Confident93.6Very high12 Ų1270.5 Ų70.512%0.12439%0.387CS..SBendtrans68.6-100.3-176.500000112.5A62G39-A62 WeakPolarHBondContact O-CB 3.2Å; G39-A62 PolarHBondContact O-N 2.86Å
40A91.6Very high93.2Very high32 Ų3275.2 Ų75.226%0.26441%0.405SS..EExtended strand (participates in β ladder)trans-154.3152.7172.900000112.4I38 W59 D60 Y74I38-A40 PolarHBondContact O-N 2.9Å; A40-W59 HydrophobicContact CB-CE3 4.28Å; A40-D60 CarbonylContact C-O 3.58Å; A40-D60 WeakPolarHBondContact CA-O 3.43Å; A40-D60 VanDerWaalsContact CB-O 3.3Å; A40-D60 WeakPolarHBondContact CB-O 3.36Å; A40-Y74 HydrophobicContact CB-CD1 3.87Å; A40-Y74 HydrophobicContact CB-CD2 4.39Å; A40-Y74 HydrophobicContact CB-CE1 3.3Å; A40-Y74 HydrophobicContact CB-CE2 3.88Å; A40-Y74 HydrophobicContact CB-CG 4.4Å; A40-Y74 WeakPolarHBondContact CB-OH 3.34Å
41S94.3Very high92.8Very high51 Ų5178.3 Ų78.336%0.35743%0.425SS..EExtended strand (participates in β ladder)trans-108.9150.1169.5-176.50000110.6D60S41-D60 PolarHBondContact N-O 3.2Å; S41-D60 PolarHBondContact O-N 3.16Å
42F96.2Very high92.5Very high101 Ų10176.8 Ų76.844%0.44342%0.415SS..EExtended strand (participates in β ladder)trans-118.8127.4178.6179-104.8000110.4T44 L57 I58 W59F42-T44 HydrophobicContact CE1-CG2 3.59Å; F42-T44 HydrophobicContact CE2-CG2 4.49Å; F42-T44 HydrophobicContact CZ-CG2 3.53Å; F42-L57 HydrophobicContact CE2-CB 3.83Å; F42-L57 HydrophobicContact CZ-CB 4.03Å; F42-L57 HydrophobicContact CZ-CD2 4.15Å; F42-I58 WeakPolarHBondContact CA-O 3.33Å; F42-I58 WeakPolarHBondContact CD2-O 3.35Å; F42-W59 HydrophobicContact CD2-CD2 4.13Å; F42-W59 AromaticContact CD2-CE2 3.77Å; F42-W59 HydrophobicContact CD2-CG 4.42Å; F42-W59 HydrophobicContact CD2-CZ2 4.09Å; F42-W59 AromaticContact CD2-NE1 3.79Å; F42-W59 AromaticContact CE2-NE1 3.85Å
43M97.3Very high92.7Very high29 Ų2974.9 Ų74.914%0.14340%0.399CS..EExtended strand (participates in β ladder)trans-134159.9175.8-64.6-160.9-120.300111.1V22 V26 I58V22-M43 HydrophobicContact CB-CE 3.67Å; V22-M43 HydrophobicContact CG1-CB 4.09Å; V22-M43 HydrophobicContact CG1-CE 3.25Å; V22-M43 HydrophobicContact CG1-CG 4.2Å; V22-M43 HydrophobicContact CG1-SD 3.73Å; V26-M43 HydrophobicContact CB-SD 3.99Å; V26-M43 HydrophobicContact CG1-SD 4.09Å; V26-M43 HydrophobicContact CG2-CB 4.03Å; V26-M43 HydrophobicContact CG2-SD 4Å; M43-I58 PolarHBondContact N-O 3Å; M43-I58 PolarHBondContact O-N 3.49Å
44T98.1Very high92.8Very high64 Ų6468.8 Ų68.839%0.39337%0.366SS..EExtended strand (participates in β ladder)trans-132.2139.9174.663.30000111.7F42 F56 L57F42-T44 HydrophobicContact CE1-CG2 3.59Å; F42-T44 HydrophobicContact CE2-CG2 4.49Å; F42-T44 HydrophobicContact CZ-CG2 3.53Å; T44-F56 WeakPolarHBondContact CA-O 3.4Å; T44-L57 HydrophobicContact CG2-CD2 3.77Å
45K97.7Very high93.1Very high58 Ų5868.5 Ų68.525%0.25236%0.362SS..EExtended strand (participates in β ladder)trans-139.7134.5168177164.4179.1-177.70110F25 V26 V47 F56F25-K45 HydrophobicContact CD1-CB 4.23Å; F25-K45 HydrophobicContact CD1-CD 3.93Å; F25-K45 HydrophobicContact CD2-CD 4.21Å; F25-K45 HydrophobicContact CE1-CB 3.78Å; F25-K45 HydrophobicContact CE1-CD 3.75Å; F25-K45 HydrophobicContact CE1-CG 3.98Å; F25-K45 HydrophobicContact CE2-CD 4.02Å; F25-K45 HydrophobicContact CG-CD 4.18Å; F25-K45 HydrophobicContact CZ-CB 4.41Å; F25-K45 HydrophobicContact CZ-CD 3.79Å; F25-K45 HydrophobicContact CZ-CG 4.13Å; F25-K45 WeakPolarHBondContact O-CD 3.45Å; F25-K45 WeakPolarHBondContact O-CE 3.12Å; F25-K45 PolarHBondContact O-NZ 2.86Å; V26-K45 HydrophobicContact CG2-CB 4.17Å; K45-V47 HydrophobicContact CD-CG1 4.45Å; K45-V47 HydrophobicContact CG-CG1 4.14Å; K45-F56 PolarHBondContact N-O 2.89Å; K45-F56 WeakPolarHBondContact O-CB 3.39Å; K45-F56 PolarHBondContact O-N 2.91Å
46T97.1Very high93.4Very high68 Ų6861.9 Ų61.942%0.41733%0.327SS..EExtended strand (participates in β ladder)trans-99.4129.1173.2-49.70000109.1L3 M53 H54 K55L3-T46 HydrophobicContact CD1-CG2 4.2Å; T46-M53 HydrophobicContact CG2-CB 4.07Å; T46-M53 HydrophobicContact CG2-CE 3.72Å; T46-H54 CarbonylContact C-O 3.59Å; T46-H54 WeakPolarHBondContact CA-O 3.42Å; T46-K55 HydrophobicContact CG2-CB 4.36Å
47V94.3Very high93.7Very high26 Ų2659.7 Ų59.716%0.15831%0.311CS..EExtended strand (participates in β ladder)trans-122.8149.5172.6-55.40000109.6F25 K45 H54 F56F25-V47 HydrophobicContact CE2-CG1 4.19Å; F25-V47 HydrophobicContact CZ-CG1 3.76Å; K45-V47 HydrophobicContact CD-CG1 4.45Å; K45-V47 HydrophobicContact CG-CG1 4.14Å; V47-H54 HydrophobicContact CG2-CB 4.08Å; V47-H54 PolarHBondContact N-O 3.48Å; V47-H54 PolarHBondContact O-N 3.19Å; V47-F56 HydrophobicContact CG2-CD2 4.16Å; V47-F56 HydrophobicContact CG2-CE2 3.55Å
48Q92.9Very high94.2Very high126 Ų12658.4 Ų58.459%0.58930%0.303SS*.EExtended strand (participates in β ladder)trans-84129169.5-172.6177.8-10.800108.8Q50 M53Q48-Q50 PolarHBondContact NE2-O 3.06Å; Q48-M53 HydrophobicContact CB-CE 4.45Å; Q48-M53 HydrophobicContact CB-SD 3.78Å; Q48-M53 HydrophobicContact CG-SD 3.93Å
49Y91.2Very high94.6Very high44 Ų4455.4 Ų55.417%0.17328%0.283CS..EExtended strand (participates in β ladder)trans-133.4116172.8177.6-101000108.6N51 E52 H54 V160 K164Y49-N51 PolarHBondContact O-N 2.97Å; Y49-E52 PolarHBondContact N-O 3.07Å; Y49-E52 PolarHBondContact O-N 2.88Å; Y49-E52 VanDerWaalsContact O-N 3.08Å; Y49-E52 VanDerWaalsContact O-O 3.09Å; Y49-H54 AromaticContact CD1-CE1 3.52Å; Y49-V160 HydrophobicContact CD2-CG1 4.38Å; Y49-V160 HydrophobicContact CE2-CG1 4.28Å; Y49-K164 HydrophobicContact CE2-CG 3.85Å; Y49-K164 WeakPolarHBondContact OH-CG 3.35Å
50Q88.3Confident95Very high138 Ų13855 Ų5565%0.64528%0.278SS*.THydrogen-bonded Turntrans53.2-123.8-170-56.6179.9-1100111.3Q48Q48-Q50 PolarHBondContact NE2-O 3.06Å
51N88.4Confident95.1Very high139 Ų13953.6 Ų53.674%0.74327%0.266SS*.THydrogen-bonded Turntrans-97.811.1-179.5-67.1-11.5000113Y49Y49-N51 PolarHBondContact O-N 2.97Å
52E91.1Very high94.9Very high52 Ų5251.5 Ų51.524%0.24325%0.251CS..EExtended strand (participates in β ladder)trans-117153.9-179.8-63.1-172.5-169.900111.8A2 Y49 H54A2-E52 HydrophobicContact CB-CG 4.46Å; Y49-E52 PolarHBondContact N-O 3.07Å; Y49-E52 PolarHBondContact O-N 2.88Å; Y49-E52 VanDerWaalsContact O-N 3.08Å; Y49-E52 VanDerWaalsContact O-O 3.09Å; E52-H54 IonicContact OE2-NE2 3.91Å
53M94.4Very high94.1Very high56 Ų5647.1 Ų47.128%0.27624%0.235SC..EExtended strand (participates in β ladder)trans-100.8115.6168.1-62.3-61-69.100108M1 A2 L3 R4 T46 Q48M1-M53 HydrophobicContact CB-CG 4.23Å; M1-M53 HydrophobicContact SD-SD 4.28Å; A2-M53 PolarHBondContact O-N 3.29Å; L3-M53 CarbonylContact C-O 3.59Å; L3-M53 WeakPolarHBondContact CA-O 3.21Å; L3-M53 HydrophobicContact CD1-CB 3.76Å; R4-M53 PolarHBondContact N-O 3.29Å; T46-M53 HydrophobicContact CG2-CB 4.07Å; T46-M53 HydrophobicContact CG2-CE 3.72Å; Q48-M53 HydrophobicContact CB-CE 4.45Å; Q48-M53 HydrophobicContact CB-SD 3.78Å; Q48-M53 HydrophobicContact CG-SD 3.93Å
54H95.6Very high93.5Very high3 Ų347.3 Ų47.31%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-95110.9176.1-73.7-169.8000109.4R4 L6 T46 V47 Y49 E52 F56 S163R4-H54 CarbonylContact O-C 3.59Å; R4-H54 WeakPolarHBondContact O-CA 3.34Å; L6-H54 HydrophobicContact CD1-CB 3.95Å; T46-H54 CarbonylContact C-O 3.59Å; T46-H54 WeakPolarHBondContact CA-O 3.42Å; V47-H54 HydrophobicContact CG2-CB 4.08Å; V47-H54 PolarHBondContact N-O 3.48Å; V47-H54 PolarHBondContact O-N 3.19Å; Y49-H54 AromaticContact CD1-CE1 3.52Å; E52-H54 IonicContact OE2-NE2 3.91Å; H54-F56 HydrophobicContact CB-CE2 4.37Å; H54-S163 WeakPolarHBondContact ND1-CB 3.26Å; H54-S163 PolarHBondContact ND1-OG 3.29Å
55K97.4Very high92.5Very high57 Ų5750.9 Ų50.925%0.24825%0.248CC..EExtended strand (participates in β ladder)trans-93104.7173.1179.7179.5170.7-157.60109.4L3 R4 E5 L6 T46 L57L3-K55 HydrophobicContact CD1-CB 3.95Å; R4-K55 PolarHBondContact O-N 3.48Å; E5-K55 WeakPolarHBondContact CA-O 3.43Å; E5-K55 HydrophobicContact CG-CB 4.42Å; E5-K55 HydrophobicContact CG-CD 4.25Å; E5-K55 IonicContact OE1-NZ 3.5Å; E5-K55 PolarHBondContact OE1-NZ 2.74Å; L6-K55 PolarHBondContact N-O 3.04Å; T46-K55 HydrophobicContact CG2-CB 4.36Å; K55-L57 HydrophobicContact CD-CD2 4.34Å; K55-L57 HydrophobicContact CG-CD2 4.14Å
56F98.3Very high91.9Very high0 Ų056.9 Ų56.90%027%0.269CS..EExtended strand (participates in β ladder)trans-74.4128.3174-70-75.3000110.6L6 V8 F25 T44 K45 V47 H54 I58 F159 I162 S163L6-F56 HydrophobicContact CB-CD1 3.97Å; L6-F56 HydrophobicContact CB-CE1 4.14Å; L6-F56 HydrophobicContact CD1-CD1 4.39Å; L6-F56 HydrophobicContact CD1-CE1 3.81Å; L6-F56 HydrophobicContact CD1-CZ 4.13Å; L6-F56 WeakPolarHBondContact O-CA 3.48Å; V8-F56 HydrophobicContact CG2-CD1 3.66Å; V8-F56 HydrophobicContact CG2-CE1 4.04Å; F25-F56 HydrophobicContact CE1-CD2 4.02Å; F25-F56 HydrophobicContact CE1-CG 4.46Å; F25-F56 AromaticContact CZ-CD2 3.96Å; F25-F56 HydrophobicContact CZ-CD2 3.96Å; F25-F56 HydrophobicContact CZ-CE2 4.2Å; T44-F56 WeakPolarHBondContact CA-O 3.4Å; K45-F56 PolarHBondContact N-O 2.89Å; K45-F56 WeakPolarHBondContact O-CB 3.39Å; K45-F56 PolarHBondContact O-N 2.91Å; V47-F56 HydrophobicContact CG2-CD2 4.16Å; V47-F56 HydrophobicContact CG2-CE2 3.55Å; H54-F56 HydrophobicContact CB-CE2 4.37Å; F56-I58 HydrophobicContact CB-CD1 4.06Å; F56-I58 HydrophobicContact CB-CG1 3.78Å; F56-F159 HydrophobicContact CD1-CD1 4.11Å; F56-F159 HydrophobicContact CD2-CD1 4.42Å; F56-F159 HydrophobicContact CE1-CD1 4.12Å; F56-F159 HydrophobicContact CE2-CB 3.99Å; F56-F159 HydrophobicContact CE2-CD1 4.41Å; F56-F159 HydrophobicContact CG-CD1 4.26Å; F56-F159 HydrophobicContact CZ-CB 3.89Å; F56-F159 HydrophobicContact CZ-CD1 4.26Å; F56-F159 WeakPolarHBondContact CZ-O 3.25Å; F56-I162 HydrophobicContact CE1-CG2 4.18Å; F56-S163 WeakPolarHBondContact CZ-OG 3.19Å
57L98.2Very high91.4Very high33 Ų3356.2 Ų56.217%0.17326%0.26CS..EExtended strand (participates in β ladder)trans-106.196.6170.5-49.9179.4000107E5 L6 K7 V8 F42 T44 K55E5-L57 HydrophobicContact CB-CD1 4.21Å; L6-L57 PolarHBondContact O-N 2.59Å; K7-L57 WeakPolarHBondContact CA-O 3.29Å; V8-L57 PolarHBondContact N-O 2.64Å; F42-L57 HydrophobicContact CE2-CB 3.83Å; F42-L57 HydrophobicContact CZ-CB 4.03Å; F42-L57 HydrophobicContact CZ-CD2 4.15Å; T44-L57 HydrophobicContact CG2-CD2 3.77Å; K55-L57 HydrophobicContact CD-CD2 4.34Å; K55-L57 HydrophobicContact CG-CD2 4.14Å
58I98.4Very high90.9Very high0 Ų057.9 Ų57.90%026%0.263CS..EExtended strand (participates in β ladder)trans-100.4122.7-163.8-52.6169000110.1V8 L10 V22 F25 V26 F42 M43 F56 F159V8-I58 CarbonylContact O-C 3.34Å; V8-I58 WeakPolarHBondContact O-CA 3.48Å; L10-I58 HydrophobicContact CD1-CG2 3.38Å; V22-I58 HydrophobicContact CG1-CB 4.33Å; V22-I58 HydrophobicContact CG1-CD1 4.21Å; V22-I58 HydrophobicContact CG1-CG2 3.75Å; V22-I58 HydrophobicContact CG2-CG2 3.84Å; F25-I58 HydrophobicContact CD1-CD1 3.7Å; F25-I58 HydrophobicContact CE1-CD1 3.91Å; V26-I58 HydrophobicContact CG2-CD1 3.9Å; F42-I58 WeakPolarHBondContact CA-O 3.33Å; F42-I58 WeakPolarHBondContact CD2-O 3.35Å; M43-I58 PolarHBondContact N-O 3Å; M43-I58 PolarHBondContact O-N 3.49Å; F56-I58 HydrophobicContact CB-CD1 4.06Å; F56-I58 HydrophobicContact CB-CG1 3.78Å; I58-F159 HydrophobicContact CD1-CE1 4.03Å; I58-F159 HydrophobicContact CD1-CZ 4.39Å; I58-F159 HydrophobicContact CG1-CE1 4.41Å
59W97.9Very high90.7Very high74 Ų7456.2 Ų56.228%0.2827%0.271SS..EExtended strand (participates in β ladder)trans-102.4103.9172.3-68.781.3000109.6V8 C9 L10 A40 F42 Y74V8-W59 PolarHBondContact O-N 3.15Å; C9-W59 CarbonylContact C-O 3.45Å; C9-W59 WeakPolarHBondContact CA-O 3.05Å; C9-W59 HydrophobicContact CB-CB 4.08Å; L10-W59 PolarHBondContact N-O 3.37Å; A40-W59 HydrophobicContact CB-CE3 4.28Å; F42-W59 HydrophobicContact CD2-CD2 4.13Å; F42-W59 AromaticContact CD2-CE2 3.77Å; F42-W59 HydrophobicContact CD2-CG 4.42Å; F42-W59 HydrophobicContact CD2-CZ2 4.09Å; F42-W59 AromaticContact CD2-NE1 3.79Å; F42-W59 AromaticContact CE2-NE1 3.85Å; W59-Y74 HydrophobicContact CD2-CD1 4.26Å; W59-Y74 AromaticContact CE3-CD1 3.51Å; W59-Y74 HydrophobicContact CE3-CD1 3.51Å; W59-Y74 AromaticContact CE3-CE1 3.92Å; W59-Y74 HydrophobicContact CE3-CE1 3.92Å; W59-Y74 AromaticContact CZ3-CD1 3.91Å; W59-Y74 HydrophobicContact CZ3-CD1 3.91Å; W59-Y74 AromaticContact CZ3-CE1 3.96Å; W59-Y74 HydrophobicContact CZ3-CE1 3.96Å
60D96.7Very high90.7Very high4 Ų457.5 Ų57.52%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-82.5112.8168.9177.842.1000109.1K18 S19 V22 T37 A40 S41K18-D60 WeakPolarHBondContact CB-OD1 3.36Å; S19-D60 WeakPolarHBondContact CA-OD2 3.46Å; S19-D60 VanDerWaalsContact CB-OD2 3.26Å; S19-D60 WeakPolarHBondContact CB-OD2 3.44Å; S19-D60 PolarHBondContact N-OD1 3.06Å; S19-D60 PolarHBondContact OG-OD1 3.17Å; S19-D60 PolarHBondContact OG-OD2 3.3Å; V22-D60 HydrophobicContact CG2-CB 4.13Å; T37-D60 PolarHBondContact OG1-OD2 3.2Å; A40-D60 CarbonylContact C-O 3.58Å; A40-D60 WeakPolarHBondContact CA-O 3.43Å; A40-D60 VanDerWaalsContact CB-O 3.3Å; A40-D60 WeakPolarHBondContact CB-O 3.36Å; S41-D60 PolarHBondContact N-O 3.2Å; S41-D60 PolarHBondContact O-N 3.16Å
61T94.1Very high90.7Very high3 Ų351 Ų512%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-97.8150.7-175.471.40000112.1L10 L11 K18 G63 Y74L10-T61 WeakPolarHBondContact O-CB 3.48Å; L10-T61 WeakPolarHBondContact O-CG2 3.49Å; L10-T61 PolarHBondContact O-OG1 3.27Å; L11-T61 HydrophobicContact CD2-CG2 4.31Å; K18-T61 WeakPolarHBondContact CE-O 3.37Å; T61-G63 PolarHBondContact O-N 2.85Å; T61-Y74 HydrophobicContact CG2-CD2 3.47Å; T61-Y74 VanDerWaalsContact CG2-CD2 3.47Å; T61-Y74 HydrophobicContact CG2-CE2 4.26Å; T61-Y74 HydrophobicContact CG2-CG 3.66Å
62A89.3Confident90.9Very high6 Ų647 Ų475%0.0523%0.233CC..  trans-63.6132169.400000109.9T37 G39 Q64 F67T37-A62 WeakPolarHBondContact O-CB 3.32Å; G39-A62 WeakPolarHBondContact O-CB 3.2Å; G39-A62 PolarHBondContact O-N 2.86Å; A62-Q64 VanDerWaalsContact C-N 3.3Å; A62-F67 HydrophobicContact CB-CB 3.96Å; A62-F67 HydrophobicContact CB-CD2 3.63Å; A62-F67 HydrophobicContact CB-CG 4.08Å
63G79.1Confident91Very high9 Ų949.7 Ų49.79%0.09325%0.246CC..  trans-909.2173.600000113.8G12 T14 T61G12-G63 WeakPolarHBondContact O-CA 3.47Å; T14-G63 PolarHBondContact N-O 3.34Å; T14-G63 VanDerWaalsContact N-O 3.09Å; T14-G63 PolarHBondContact OG1-O 3.44Å; T61-G63 PolarHBondContact O-N 2.85Å
64Q84.6Confident91Very high33 Ų3348 Ų4815%0.15424%0.237CC..SBendtrans-80.6136.5179.5-63179.336.800108.6T14 A62 R66 F67 R68T14-Q64 HydrophobicContact CG2-CG 4.39Å; T14-Q64 WeakPolarHBondContact OG1-CA 3.32Å; T14-Q64 VanDerWaalsContact OG1-CG 3.24Å; T14-Q64 WeakPolarHBondContact OG1-CG 3.39Å; T14-Q64 PolarHBondContact OG1-N 3.2Å; A62-Q64 VanDerWaalsContact C-N 3.3Å; Q64-R66 PolarHBondContact O-N 3.42Å; Q64-R66 VanDerWaalsContact O-N 3.15Å; Q64-F67 HydrophobicContact CB-CD2 3.99Å; Q64-F67 PolarHBondContact O-N 3.22Å; Q64-R68 PolarHBondContact O-N 2.96Å
65E78.6Confident90.9Very high140 Ų14048 Ų4865%0.65424%0.237SC*.G310 helixtrans-53.5-36.5179.266.9-65.4151.700112.6F67 R68E65-F67 PolarHBondContact O-N 3.22Å; E65-R68 WeakPolarHBondContact O-CB 3.44Å; E65-R68 PolarHBondContact O-N 3.2Å
66R84.3Confident90.8Very high184 Ų18454.8 Ų54.869%0.69426%0.261SS*.G310 helixtrans-61.7-24.4176.9-64.2-175.9-64.3172.82113.9Q64Q64-R66 PolarHBondContact O-N 3.42Å; Q64-R66 VanDerWaalsContact O-N 3.15Å
67F85.8Confident90.5Very high53 Ų5357.5 Ų57.523%0.23229%0.289CS..G310 helixtrans-101-0.8176.2-61-61.4000113.1I38 A62 Q64 E65 A69 L70I38-F67 HydrophobicContact CG2-CE2 4.36Å; I38-F67 HydrophobicContact CG2-CZ 3.88Å; A62-F67 HydrophobicContact CB-CB 3.96Å; A62-F67 HydrophobicContact CB-CD2 3.63Å; A62-F67 HydrophobicContact CB-CG 4.08Å; Q64-F67 HydrophobicContact CB-CD2 3.99Å; Q64-F67 PolarHBondContact O-N 3.22Å; E65-F67 PolarHBondContact O-N 3.22Å; F67-A69 VanDerWaalsContact C-N 3.25Å; F67-A69 PolarHBondContact O-N 2.86Å; F67-L70 HydrophobicContact CD1-CD1 4.06Å; F67-L70 VanDerWaalsContact O-CB 3.29Å; F67-L70 WeakPolarHBondContact O-CB 3.07Å; F67-L70 PolarHBondContact O-N 2.98Å
68R84.7Confident90.5Very high61 Ų6156.1 Ų56.123%0.2328%0.283CS..G310 helixtrans-58-37-176.6-173.3168-166.3118.88.3113Q64 E65 L70 A71 W99 E102Q64-R68 PolarHBondContact O-N 2.96Å; E65-R68 WeakPolarHBondContact O-CB 3.44Å; E65-R68 PolarHBondContact O-N 3.2Å; R68-L70 PolarHBondContact O-N 2.8Å; R68-A71 VanDerWaalsContact O-CB 3.26Å; R68-A71 WeakPolarHBondContact O-CB 3.27Å; R68-A71 PolarHBondContact O-N 2.86Å; R68-W99 HydrophobicContact CB-CH2 4.44Å; R68-W99 HydrophobicContact CG-CH2 3.73Å; R68-W99 HydrophobicContact CG-CZ2 4.33Å; R68-W99 HydrophobicContact CG-CZ3 4.22Å; R68-W99 VanDerWaalsContact NH2-CD2 3.26Å; R68-E102 IonicContact CZ-OE2 2.67Å; R68-E102 IonicContact NE-OE2 3.42Å; R68-E102 PolarHBondContact NE-OE2 3.09Å; R68-E102 IonicContact NH2-OE2 3.79Å; R68-E102 PolarHBondContact NH2-OE2 2.87Å
69A88.1Confident90.4Very high91 Ų9157.5 Ų57.575%0.75229%0.294SS*.G310 helixtrans-60.9-17.2176.400000113.9F67F67-A69 VanDerWaalsContact C-N 3.25Å; F67-A69 PolarHBondContact O-N 2.86Å
70L90.6Very high90.4Very high71 Ų7154 Ų5437%0.37228%0.281SS..G310 helixtrans-86.6-17.3175.6-58180000112.7F67 R68 P72 M73 Y74F67-L70 HydrophobicContact CD1-CD1 4.06Å; F67-L70 VanDerWaalsContact O-CB 3.29Å; F67-L70 WeakPolarHBondContact O-CB 3.07Å; F67-L70 PolarHBondContact O-N 2.98Å; R68-L70 PolarHBondContact O-N 2.8Å; L70-P72 VanDerWaalsContact C-N 3.28Å; L70-P72 VanDerWaalsContact O-N 3.09Å; L70-M73 HydrophobicContact CB-SD 3.84Å; L70-M73 HydrophobicContact CD2-SD 4.12Å; L70-M73 HydrophobicContact CG-SD 4.42Å; L70-M73 WeakPolarHBondContact O-CB 3.35Å; L70-M73 WeakPolarHBondContact O-CG 3.46Å; L70-M73 PolarHBondContact O-N 3.2Å; L70-Y74 HydrophobicContact CB-CE2 3.91Å
71A89.8Confident90.5Very high3 Ų353.8 Ų53.83%0.02528%0.28CS..Hα-helixtrans-48.4-40.8-177.900000114.5L11 R68 M73 Y74 Y75 W99L11-A71 HydrophobicContact CD2-CB 4.37Å; R68-A71 VanDerWaalsContact O-CB 3.26Å; R68-A71 WeakPolarHBondContact O-CB 3.27Å; R68-A71 PolarHBondContact O-N 2.86Å; A71-M73 PolarHBondContact O-N 2.59Å; A71-M73 VanDerWaalsContact O-N 3.13Å; A71-Y74 PolarHBondContact O-N 2.78Å; A71-Y75 VanDerWaalsContact C-CE1 3.46Å; A71-Y75 HydrophobicContact CB-CD1 4.47Å; A71-Y75 HydrophobicContact CB-CE1 4.1Å; A71-Y75 WeakPolarHBondContact O-CD1 3.46Å; A71-Y75 WeakPolarHBondContact O-CE1 3.37Å; A71-Y75 PolarHBondContact O-N 3.44Å; A71-W99 HydrophobicContact CB-CH2 4.09Å; A71-W99 HydrophobicContact CB-CZ3 3.61Å
72P92.9Very high90.7Very high55 Ų5553.7 Ų53.736%0.35728%0.279SS..Hα-helixtrans-54.7-31.6175.8-23.831.7000115.7L70 Y74 Y75 R76L70-P72 VanDerWaalsContact C-N 3.28Å; L70-P72 VanDerWaalsContact O-N 3.09Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 3.09Å; P72-Y75 WeakPolarHBondContact CA-OH 3.25Å; P72-Y75 HydrophobicContact CB-CE1 4.46Å; P72-Y75 HydrophobicContact CB-CE2 4.21Å; P72-Y75 WeakPolarHBondContact CB-OH 3.44Å; P72-Y75 HydrophobicContact CG-CE1 4.46Å; P72-Y75 WeakPolarHBondContact CG-OH 3.39Å; P72-R76 WeakPolarHBondContact O-CB 3.45Å; P72-R76 PolarHBondContact O-N 3.33Å
73M93.3Very high91.1Very high108 Ų10853.4 Ų53.453%0.53228%0.276SS..Hα-helixtrans-69.6-30.817987.2-165.3-81.800112L70 A71L70-M73 HydrophobicContact CB-SD 3.84Å; L70-M73 HydrophobicContact CD2-SD 4.12Å; L70-M73 HydrophobicContact CG-SD 4.42Å; L70-M73 WeakPolarHBondContact O-CB 3.35Å; L70-M73 WeakPolarHBondContact O-CG 3.46Å; L70-M73 PolarHBondContact O-N 3.2Å; A71-M73 PolarHBondContact O-N 2.59Å; A71-M73 VanDerWaalsContact O-N 3.13Å
74Y93.1Very high92.1Very high21 Ų2153 Ų538%0.08227%0.272CS..Hα-helixtrans-84-42.5-173.4-58.6-54.5000112.2K7 A40 W59 T61 L70 A71 P72 R76 S78K7-Y74 WeakPolarHBondContact CE-O 3.4Å; K7-Y74 PolarHBondContact NZ-O 3.4Å; A40-Y74 HydrophobicContact CB-CD1 3.87Å; A40-Y74 HydrophobicContact CB-CD2 4.39Å; A40-Y74 HydrophobicContact CB-CE1 3.3Å; A40-Y74 HydrophobicContact CB-CE2 3.88Å; A40-Y74 HydrophobicContact CB-CG 4.4Å; A40-Y74 WeakPolarHBondContact CB-OH 3.34Å; W59-Y74 HydrophobicContact CD2-CD1 4.26Å; W59-Y74 AromaticContact CE3-CD1 3.51Å; W59-Y74 HydrophobicContact CE3-CD1 3.51Å; W59-Y74 AromaticContact CE3-CE1 3.92Å; W59-Y74 HydrophobicContact CE3-CE1 3.92Å; W59-Y74 AromaticContact CZ3-CD1 3.91Å; W59-Y74 HydrophobicContact CZ3-CD1 3.91Å; W59-Y74 AromaticContact CZ3-CE1 3.96Å; W59-Y74 HydrophobicContact CZ3-CE1 3.96Å; T61-Y74 HydrophobicContact CG2-CD2 3.47Å; T61-Y74 VanDerWaalsContact CG2-CD2 3.47Å; T61-Y74 HydrophobicContact CG2-CE2 4.26Å; T61-Y74 HydrophobicContact CG2-CG 3.66Å; L70-Y74 HydrophobicContact CB-CE2 3.91Å; A71-Y74 PolarHBondContact O-N 2.78Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 3.09Å; Y74-R76 VanDerWaalsContact C-N 3.31Å; Y74-R76 PolarHBondContact O-N 2.91Å; Y74-S78 PolarHBondContact O-OG 2.96Å
75Y94.4Very high92.8Very high3 Ų351.4 Ų51.41%0.01227%0.265CS..Hα-helixtrans-81.2-7.7177.660-116.3000114.1C9 L11 A71 P72 G77 S78 L103 H106 P108C9-Y75 WeakPolarHBondContact SG-CB 3.1Å; L11-Y75 HydrophobicContact CD1-CD1 4.14Å; A71-Y75 VanDerWaalsContact C-CE1 3.46Å; A71-Y75 HydrophobicContact CB-CD1 4.47Å; A71-Y75 HydrophobicContact CB-CE1 4.1Å; A71-Y75 WeakPolarHBondContact O-CD1 3.46Å; A71-Y75 WeakPolarHBondContact O-CE1 3.37Å; A71-Y75 PolarHBondContact O-N 3.44Å; P72-Y75 WeakPolarHBondContact CA-OH 3.25Å; P72-Y75 HydrophobicContact CB-CE1 4.46Å; P72-Y75 HydrophobicContact CB-CE2 4.21Å; P72-Y75 WeakPolarHBondContact CB-OH 3.44Å; P72-Y75 HydrophobicContact CG-CE1 4.46Å; P72-Y75 WeakPolarHBondContact CG-OH 3.39Å; Y75-G77 PolarHBondContact O-N 3.06Å; Y75-G77 VanDerWaalsContact O-N 3.16Å; Y75-S78 WeakPolarHBondContact CA-OG 3.31Å; Y75-S78 WeakPolarHBondContact O-CB 3.25Å; Y75-S78 PolarHBondContact O-N 2.69Å; Y75-S78 PolarHBondContact O-OG 2.78Å; Y75-L103 HydrophobicContact CD1-CD1 3.77Å; Y75-L103 HydrophobicContact CD2-CD1 3.92Å; Y75-L103 HydrophobicContact CE1-CD1 4.32Å; Y75-L103 HydrophobicContact CE2-CD1 4.46Å; Y75-L103 HydrophobicContact CG-CD1 3.53Å; Y75-H106 HydrophobicContact CE2-CB 4.18Å; Y75-H106 WeakPolarHBondContact OH-CB 3.2Å; Y75-P108 WeakPolarHBondContact O-CD 3.49Å; Y75-P108 WeakPolarHBondContact O-CG 3.45Å
76R94.5Very high93.7Very high198 Ų19844.8 Ų44.875%0.74723%0.234SC*.THydrogen-bonded Turntrans-58.6119.8174.2-178179.8176.2910.6110.6K7 P72 Y74 S78K7-R76 PolarHBondContact NZ-O 2.75Å; P72-R76 WeakPolarHBondContact O-CB 3.45Å; P72-R76 PolarHBondContact O-N 3.33Å; Y74-R76 VanDerWaalsContact C-N 3.31Å; Y74-R76 PolarHBondContact O-N 2.91Å; R76-S78 PolarHBondContact O-N 3.06Å
77G93.2Very high94.4Very high58 Ų5836 Ų3660%0.59820%0.201SC*.THydrogen-bonded Turntrans70.811.8-179.200000114.5Y75Y75-G77 PolarHBondContact O-N 3.06Å; Y75-G77 VanDerWaalsContact O-N 3.16Å
78S96.8Very high95Very high4 Ų434.4 Ų34.43%0.02820%0.195CC..  trans-70.3137.9171.5-67.20000110.8K7 Y74 Y75 R76K7-S78 WeakPolarHBondContact CE-OG 3.32Å; K7-S78 CarbonylContact O-C 3.58Å; Y74-S78 PolarHBondContact O-OG 2.96Å; Y75-S78 WeakPolarHBondContact CA-OG 3.31Å; Y75-S78 WeakPolarHBondContact O-CB 3.25Å; Y75-S78 PolarHBondContact O-N 2.69Å; Y75-S78 PolarHBondContact O-OG 2.78Å; R76-S78 PolarHBondContact O-N 3.06Å
79A96.6Very high95.7Very high29 Ų2936.8 Ų36.824%0.2421%0.207CC..SBendtrans-77.9-30.7171.900000111.3K7 V112 I166K7-A79 PolarHBondContact O-N 3.02Å; A79-V112 PolarHBondContact O-N 3.46Å; A79-I166 HydrophobicContact CB-CD1 3.78Å; A79-I166 HydrophobicContact CB-CG1 4.49Å
80A98.1Very high96.1Very high0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-142.6157.8174.300000112.8K7 V8 C9 V112 I162 I166K7-A80 PolarHBondContact O-N 3.43Å; V8-A80 WeakPolarHBondContact CA-O 3.28Å; V8-A80 HydrophobicContact CG2-CB 4.23Å; C9-A80 PolarHBondContact N-O 3.29Å; A80-V112 CarbonylContact C-O 3.53Å; A80-V112 WeakPolarHBondContact CA-O 3.42Å; A80-V112 HydrophobicContact CB-CB 3.9Å; A80-V112 HydrophobicContact CB-CG1 4.36Å; A80-V112 WeakPolarHBondContact CB-O 3.13Å; A80-I162 HydrophobicContact CB-CD1 4.13Å; A80-I162 HydrophobicContact CB-CG1 4.14Å; A80-I162 HydrophobicContact CB-CG2 3.6Å; A80-I166 HydrophobicContact CB-CD1 4.39Å
81A98.3Very high96.5Very high0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-124.5135.9165.300000110C9 L103 I111 V112 A114C9-A81 CarbonylContact O-C 3.54Å; C9-A81 VanDerWaalsContact O-CA 3.28Å; C9-A81 WeakPolarHBondContact O-CA 3.4Å; A81-L103 HydrophobicContact CB-CD1 4.43Å; A81-L103 HydrophobicContact CB-CD2 3.44Å; A81-L103 VanDerWaalsContact CB-CD2 3.44Å; A81-I111 HydrophobicContact CB-CD1 3.85Å; A81-V112 PolarHBondContact N-O 2.93Å; A81-A114 PolarHBondContact O-N 2.92Å
82I98.7Very high96.9Very high0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-102.2114.4169.3-55.4170.1000106.9V8 C9 L10 L11 V84 A114 A116 V158 F159 I162V8-I82 HydrophobicContact CG1-CD1 3.97Å; V8-I82 HydrophobicContact CG1-CG1 3.99Å; C9-I82 PolarHBondContact O-N 3.06Å; L10-I82 CarbonylContact C-O 3.53Å; L10-I82 VanDerWaalsContact CA-O 3.28Å; L10-I82 WeakPolarHBondContact CA-O 3.28Å; L10-I82 HydrophobicContact CG-CB 4.26Å; L11-I82 PolarHBondContact N-O 2.9Å; I82-V84 HydrophobicContact CG2-CG2 3.94Å; I82-A114 CarbonylContact C-O 3.46Å; I82-A114 WeakPolarHBondContact CA-O 3.12Å; I82-A114 HydrophobicContact CG1-CB 4.36Å; I82-A116 HydrophobicContact CG2-CB 3.84Å; I82-V158 HydrophobicContact CD1-CG2 4.39Å; I82-V158 HydrophobicContact CG1-CG2 4.49Å; I82-V158 HydrophobicContact CG2-CG2 4.38Å; I82-F159 HydrophobicContact CD1-CD1 4.29Å; I82-F159 HydrophobicContact CD1-CE1 3.74Å; I82-F159 HydrophobicContact CD1-CE2 4.33Å; I82-F159 HydrophobicContact CD1-CZ 3.76Å; I82-I162 HydrophobicContact CD1-CD1 3.8Å; I82-I162 HydrophobicContact CG1-CD1 3.55Å
83I98.6Very high97.2Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-101.5115.4177.9-47.2176.7000107.4L11 L96 W99 V100 L103 V113 A114 I115 A116L11-I83 HydrophobicContact CB-CG1 4.38Å; L11-I83 HydrophobicContact CB-CG2 4.45Å; L11-I83 WeakPolarHBondContact O-CA 3.37Å; I83-L96 HydrophobicContact CB-CD1 4.17Å; I83-L96 HydrophobicContact CB-CG 4.34Å; I83-L96 HydrophobicContact CG2-CB 4.29Å; I83-L96 HydrophobicContact CG2-CD1 3.78Å; I83-L96 HydrophobicContact CG2-CG 3.61Å; I83-L96 WeakPolarHBondContact O-CD1 3.43Å; I83-W99 HydrophobicContact CG2-CB 3.74Å; I83-W99 HydrophobicContact CG2-CG 4.4Å; I83-V100 HydrophobicContact CD1-CB 4.27Å; I83-V100 HydrophobicContact CD1-CG2 3.51Å; I83-L103 HydrophobicContact CD1-CD2 4.1Å; I83-V113 HydrophobicContact CD1-CG1 3.91Å; I83-V113 HydrophobicContact CG1-CG1 4.45Å; I83-A114 PolarHBondContact N-O 3Å; I83-I115 WeakPolarHBondContact O-CA 3.41Å; I83-A116 PolarHBondContact O-N 3.28Å
84V98.8Very high97.4Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-104.1135.5-169.3-170.40000109.6L10 L11 V16 K18 I21 I82 A116 N118L10-V84 HydrophobicContact CD2-CG2 4.42Å; L11-V84 PolarHBondContact O-N 3.31Å; V16-V84 HydrophobicContact CB-CG1 4.25Å; V16-V84 HydrophobicContact CG2-CB 3.83Å; V16-V84 HydrophobicContact CG2-CG1 3.8Å; K18-V84 HydrophobicContact CG-CB 3.95Å; K18-V84 HydrophobicContact CG-CG2 3.88Å; I21-V84 HydrophobicContact CD1-CG1 3.8Å; I21-V84 HydrophobicContact CD1-CG2 4.06Å; I82-V84 HydrophobicContact CG2-CG2 3.94Å; V84-A116 WeakPolarHBondContact CA-O 3.47Å; V84-A116 HydrophobicContact CG1-CB 4.46Å; V84-A116 HydrophobicContact CG2-CB 4.25Å; V84-N118 HydrophobicContact CG1-CB 3.84Å
85Y98.8Very high97.5Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-126.2165.7166.176-79.4000110I87 F93 L96 I115 A116 N118 V128 A133 F144Y85-I87 HydrophobicContact CE2-CB 4.44Å; Y85-I87 HydrophobicContact CE2-CG2 3.87Å; Y85-F93 HydrophobicContact CD1-CD2 4.07Å; Y85-F93 HydrophobicContact CD2-CB 3.86Å; Y85-F93 HydrophobicContact CD2-CD2 4.03Å; Y85-F93 HydrophobicContact CD2-CG 4.36Å; Y85-F93 HydrophobicContact CE1-CD2 4.11Å; Y85-F93 HydrophobicContact CE1-CE2 4.49Å; Y85-F93 HydrophobicContact CE2-CB 4.38Å; Y85-F93 HydrophobicContact CE2-CD2 4.1Å; Y85-F93 HydrophobicContact CG-CB 4.26Å; Y85-F93 HydrophobicContact CG-CD2 4.02Å; Y85-L96 HydrophobicContact CD1-CD1 3.63Å; Y85-L96 HydrophobicContact CG-CD1 4.18Å; Y85-I115 HydrophobicContact CD1-CG2 4.01Å; Y85-I115 HydrophobicContact CE1-CG2 3.76Å; Y85-A116 WeakPolarHBondContact CD1-O 3.44Å; Y85-A116 PolarHBondContact N-O 3.38Å; Y85-N118 PolarHBondContact O-N 2.82Å; Y85-V128 HydrophobicContact CD2-CG2 4.37Å; Y85-V128 HydrophobicContact CE2-CB 3.93Å; Y85-V128 HydrophobicContact CE2-CG1 3.81Å; Y85-V128 HydrophobicContact CE2-CG2 4.11Å; Y85-A133 HydrophobicContact CE1-CB 4.24Å; Y85-A133 WeakPolarHBondContact OH-CB 3.39Å; Y85-F144 HydrophobicContact CE1-CE2 4.21Å
86D98.6Very high97.7Very high1 Ų137.3 Ų37.31%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-100.2120.6176-178.6-14.2000108.5V16 T88 K89 S92 K119V16-D86 HydrophobicContact CB-CB 4.39Å; V16-D86 HydrophobicContact CG1-CB 4.34Å; D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 VanDerWaalsContact O-N 3.09Å; D86-T88 WeakPolarHBondContact OD1-CB 3.27Å; D86-T88 PolarHBondContact OD1-N 3.27Å; D86-T88 PolarHBondContact OD1-OG1 3.04Å; D86-T88 PolarHBondContact OD2-OG1 3.35Å; D86-K89 HydrophobicContact CB-CB 4.21Å; D86-K89 HydrophobicContact CB-CD 4.48Å; D86-K89 HydrophobicContact CB-CG 4.35Å; D86-K89 PolarHBondContact O-N 2.9Å; D86-S92 PolarHBondContact N-OG 3.34Å; D86-S92 PolarHBondContact O-OG 3.24Å; D86-S92 VanDerWaalsContact O-OG 3.12Å; D86-K119 WeakPolarHBondContact OD1-CD 3.35Å; D86-K119 WeakPolarHBondContact OD2-CD 3.44Å; D86-K119 VanDerWaalsContact OD2-CE 3.25Å; D86-K119 WeakPolarHBondContact OD2-CE 3.42Å; D86-K119 IonicContact OD2-NZ 2.79Å; D86-K119 PolarHBondContact OD2-NZ 3.22Å
87I98.8Very high97.8Very high0 Ų030.9 Ų30.90%017%0.171CC..THydrogen-bonded Turntrans-63.2-18.4-178.266.2145.8000113.3Y85 K89 N118 K119 C120 R126 E127 V128Y85-I87 HydrophobicContact CE2-CB 4.44Å; Y85-I87 HydrophobicContact CE2-CG2 3.87Å; I87-K89 VanDerWaalsContact C-N 3.32Å; I87-N118 WeakPolarHBondContact CG1-O 3.38Å; I87-N118 PolarHBondContact N-O 2.81Å; I87-K119 WeakPolarHBondContact CD1-O 3.25Å; I87-K119 WeakPolarHBondContact CG1-O 3.33Å; I87-C120 HydrophobicContact CD1-CB 4.45Å; I87-R126 HydrophobicContact CD1-CB 4.33Å; I87-R126 HydrophobicContact CD1-CG 4.4Å; I87-E127 PolarHBondContact O-N 3.01Å; I87-V128 PolarHBondContact O-N 2.94Å; I87-V128 VanDerWaalsContact O-N 3.09Å
88T98.6Very high98Very high20 Ų2032.5 Ų32.512%0.12317%0.166CC..THydrogen-bonded Turntrans-90.44.817970.40000113.1D86 L122 S125 E127D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 VanDerWaalsContact O-N 3.09Å; D86-T88 WeakPolarHBondContact OD1-CB 3.27Å; D86-T88 PolarHBondContact OD1-N 3.27Å; D86-T88 PolarHBondContact OD1-OG1 3.04Å; D86-T88 PolarHBondContact OD2-OG1 3.35Å; T88-L122 HydrophobicContact CG2-CB 3.68Å; T88-L122 HydrophobicContact CG2-CD1 4.01Å; T88-L122 HydrophobicContact CG2-CG 4.5Å; T88-S125 VanDerWaalsContact CA-O 3.27Å; T88-S125 WeakPolarHBondContact CA-O 3.37Å; T88-S125 VanDerWaalsContact CB-O 3.29Å; T88-S125 WeakPolarHBondContact CB-O 3.42Å; T88-S125 WeakPolarHBondContact CG2-O 3.45Å; T88-E127 WeakPolarHBondContact O-CG 3.47Å
89K98.4Very high97.9Very high110 Ų11032.5 Ų32.548%0.47817%0.166SC..  trans-139.5102.4-178.5-62-173.3179.2-171.20111.3D86 I87 D91 S92 E127D86-K89 HydrophobicContact CB-CB 4.21Å; D86-K89 HydrophobicContact CB-CD 4.48Å; D86-K89 HydrophobicContact CB-CG 4.35Å; D86-K89 PolarHBondContact O-N 2.9Å; I87-K89 VanDerWaalsContact C-N 3.32Å; K89-D91 VanDerWaalsContact C-N 3.29Å; K89-D91 PolarHBondContact O-N 3.03Å; K89-S92 WeakPolarHBondContact O-CB 3.38Å; K89-S92 PolarHBondContact O-N 3.42Å; K89-S92 VanDerWaalsContact O-N 3.09Å; K89-S92 PolarHBondContact O-OG 3.16Å; K89-E127 VanDerWaalsContact CA-OE2 3.31Å; K89-E127 WeakPolarHBondContact CA-OE2 3.4Å
90E98Very high98Very high103 Ų10331.4 Ų31.448%0.48116%0.156SC..Hα-helixtrans-56.8-42.3-179.8-171.1-179.8-178.700112.6S92 F93 Q94 E127 V128E90-S92 PolarHBondContact O-N 3.01Å; E90-S92 VanDerWaalsContact O-N 3.16Å; E90-F93 WeakPolarHBondContact O-CB 3.47Å; E90-F93 PolarHBondContact O-N 2.55Å; E90-Q94 PolarHBondContact O-N 2.82Å; E90-Q94 VanDerWaalsContact O-N 3.15Å; E90-E127 HydrophobicContact CB-CB 4.28Å; E90-E127 PolarHBondContact N-OE2 3.49Å; E90-V128 HydrophobicContact CB-CG2 4.49Å
91D98Very high97.9Very high131 Ų13138.3 Ų38.370%0.70119%0.186SC*.Hα-helixtrans-55.5-36.3178.7-74-23.4000112.5K89 F93 Q94 T95K89-D91 VanDerWaalsContact C-N 3.29Å; K89-D91 PolarHBondContact O-N 3.03Å; D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 3.37Å; D91-Q94 PolarHBondContact O-N 2.89Å; D91-Q94 VanDerWaalsContact O-N 3.16Å; D91-T95 PolarHBondContact O-N 2.99Å; D91-T95 PolarHBondContact O-OG1 3.2Å
92S98.4Very high97.7Very high8 Ų840.1 Ų40.16%0.05619%0.194CC..Hα-helixtrans-66.4-31.5179.578.20000112.3D86 K89 E90 L96D86-S92 PolarHBondContact N-OG 3.34Å; D86-S92 PolarHBondContact O-OG 3.24Å; D86-S92 VanDerWaalsContact O-OG 3.12Å; K89-S92 WeakPolarHBondContact O-CB 3.38Å; K89-S92 PolarHBondContact O-N 3.42Å; K89-S92 VanDerWaalsContact O-N 3.09Å; K89-S92 PolarHBondContact O-OG 3.16Å; E90-S92 PolarHBondContact O-N 3.01Å; E90-S92 VanDerWaalsContact O-N 3.16Å; S92-L96 WeakPolarHBondContact O-CB 3.29Å; S92-L96 PolarHBondContact O-N 2.88Å
93F98.6Very high97.5Very high11 Ų1140.1 Ų40.15%0.04819%0.194CC..Hα-helixtrans-74-34.6174-178.1-115000111.7Y85 E90 D91 L96 K97 V128 A133 Y136Y85-F93 HydrophobicContact CD1-CD2 4.07Å; Y85-F93 HydrophobicContact CD2-CB 3.86Å; Y85-F93 HydrophobicContact CD2-CD2 4.03Å; Y85-F93 HydrophobicContact CD2-CG 4.36Å; Y85-F93 HydrophobicContact CE1-CD2 4.11Å; Y85-F93 HydrophobicContact CE1-CE2 4.49Å; Y85-F93 HydrophobicContact CE2-CB 4.38Å; Y85-F93 HydrophobicContact CE2-CD2 4.1Å; Y85-F93 HydrophobicContact CG-CB 4.26Å; Y85-F93 HydrophobicContact CG-CD2 4.02Å; E90-F93 WeakPolarHBondContact O-CB 3.47Å; E90-F93 PolarHBondContact O-N 2.55Å; D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 3.37Å; F93-L96 HydrophobicContact CD2-CD2 4.36Å; F93-L96 HydrophobicContact CE2-CD2 4.3Å; F93-L96 WeakPolarHBondContact O-CB 3.33Å; F93-L96 PolarHBondContact O-N 2.89Å; F93-K97 PolarHBondContact O-N 3.39Å; F93-V128 HydrophobicContact CB-CG1 4.33Å; F93-V128 HydrophobicContact CB-CG2 3.83Å; F93-V128 HydrophobicContact CD1-CG1 4.05Å; F93-V128 HydrophobicContact CD2-CG1 4.36Å; F93-V128 HydrophobicContact CE1-CG1 4.47Å; F93-V128 HydrophobicContact CG-CG1 4Å; F93-V128 HydrophobicContact CG-CG2 4.39Å; F93-A133 HydrophobicContact CE2-CB 3.83Å; F93-A133 HydrophobicContact CZ-CB 4.13Å; F93-Y136 HydrophobicContact CE2-CD1 4.12Å; F93-Y136 HydrophobicContact CZ-CD1 4.01Å; F93-Y136 HydrophobicContact CZ-CG 4.14Å
94Q97.9Very high97.4Very high79 Ų7945.5 Ų45.537%0.36922%0.215SC..Hα-helixtrans-66.3-44.2172.5-56.3-56.7-16.900111.3E90 D91 L96 K97E90-Q94 PolarHBondContact O-N 2.82Å; E90-Q94 VanDerWaalsContact O-N 3.15Å; D91-Q94 PolarHBondContact O-N 2.89Å; D91-Q94 VanDerWaalsContact O-N 3.16Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 3.26Å; Q94-K97 WeakPolarHBondContact O-CB 3.44Å; Q94-K97 PolarHBondContact O-N 3.49Å; Q94-K97 VanDerWaalsContact O-N 3.15Å
95T95.9Very high97.2Very high31 Ų3151.8 Ų51.819%0.1924%0.244CC..Hα-helixtrans-66.5-31.8176.6-490000112.5D13 D91 K97 N98 W99D13-T95 WeakPolarHBondContact OD1-CG2 3.3Å; D13-T95 WeakPolarHBondContact OD2-CB 3.38Å; D13-T95 WeakPolarHBondContact OD2-CG2 3.19Å; D13-T95 PolarHBondContact OD2-OG1 3.45Å; D91-T95 PolarHBondContact O-N 2.99Å; D91-T95 PolarHBondContact O-OG1 3.2Å; T95-K97 PolarHBondContact O-N 2.79Å; T95-N98 WeakPolarHBondContact O-CA 3.43Å; T95-N98 WeakPolarHBondContact O-CB 3.48Å; T95-N98 PolarHBondContact O-N 3.08Å; T95-W99 VanDerWaalsContact O-CD1 3.27Å; T95-W99 PolarHBondContact O-N 3.08Å
96L97.6Very high96.9Very high1 Ų157.1 Ų57.11%0.00527%0.269CS..Hα-helixtrans-54.2-40.3171.8170.8147.1000112I83 Y85 S92 F93 Q94 N98 W99 V100 I115 Y136I83-L96 HydrophobicContact CB-CD1 4.17Å; I83-L96 HydrophobicContact CB-CG 4.34Å; I83-L96 HydrophobicContact CG2-CB 4.29Å; I83-L96 HydrophobicContact CG2-CD1 3.78Å; I83-L96 HydrophobicContact CG2-CG 3.61Å; I83-L96 WeakPolarHBondContact O-CD1 3.43Å; Y85-L96 HydrophobicContact CD1-CD1 3.63Å; Y85-L96 HydrophobicContact CG-CD1 4.18Å; S92-L96 WeakPolarHBondContact O-CB 3.29Å; S92-L96 PolarHBondContact O-N 2.88Å; F93-L96 HydrophobicContact CD2-CD2 4.36Å; F93-L96 HydrophobicContact CE2-CD2 4.3Å; F93-L96 WeakPolarHBondContact O-CB 3.33Å; F93-L96 PolarHBondContact O-N 2.89Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 3.26Å; L96-N98 VanDerWaalsContact C-N 3.25Å; L96-N98 PolarHBondContact O-N 2.86Å; L96-W99 WeakPolarHBondContact O-CB 3.2Å; L96-W99 PolarHBondContact O-N 3.18Å; L96-W99 VanDerWaalsContact O-N 3.1Å; L96-V100 HydrophobicContact CD2-CG2 4.12Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 2.79Å; L96-I115 HydrophobicContact CD1-CG1 4.36Å; L96-I115 HydrophobicContact CD1-CG2 3.87Å; L96-I115 HydrophobicContact CD2-CD1 3.99Å; L96-I115 HydrophobicContact CD2-CG1 4.33Å; L96-Y136 HydrophobicContact CD2-CD1 4.22Å; L96-Y136 HydrophobicContact CD2-CE1 3.67Å
97K97.9Very high96.7Very high63 Ų6358 Ų5827%0.27428%0.278SS..Hα-helixtrans-63.3-34.1178-58.7175.8-174.7163.70111.8F93 Q94 T95 V100 K101 Y136F93-K97 PolarHBondContact O-N 3.39Å; Q94-K97 WeakPolarHBondContact O-CB 3.44Å; Q94-K97 PolarHBondContact O-N 3.49Å; Q94-K97 VanDerWaalsContact O-N 3.15Å; T95-K97 PolarHBondContact O-N 2.79Å; K97-V100 PolarHBondContact O-N 2.85Å; K97-K101 PolarHBondContact O-N 3.21Å; K97-Y136 HydrophobicContact CD-CE2 4.34Å; K97-Y136 HydrophobicContact CG-CE1 3.9Å; K97-Y136 HydrophobicContact CG-CE2 4.06Å
98N96.1Very high96.5Very high92 Ų9259.6 Ų59.649%0.49229%0.288SS..Hα-helixtrans-67.7-41.6173.6-61.7-33.3000111.3T95 L96 V100 K101 E102T95-N98 WeakPolarHBondContact O-CA 3.43Å; T95-N98 WeakPolarHBondContact O-CB 3.48Å; T95-N98 PolarHBondContact O-N 3.08Å; L96-N98 VanDerWaalsContact C-N 3.25Å; L96-N98 PolarHBondContact O-N 2.86Å; N98-V100 VanDerWaalsContact C-N 3.35Å; N98-V100 PolarHBondContact O-N 3.34Å; N98-K101 PolarHBondContact O-N 2.81Å; N98-E102 WeakPolarHBondContact O-CB 3.39Å; N98-E102 PolarHBondContact O-N 3.34Å
99W96.2Very high96.1Very high4 Ų464.3 Ų64.32%0.01532%0.319CS..Hα-helixtrans-60.5-42.3173.1-75.2113000112.3L11 D13 R68 A71 I83 T95 L96 L103L11-W99 HydrophobicContact CB-CD2 4.31Å; L11-W99 HydrophobicContact CB-CE3 4.21Å; L11-W99 HydrophobicContact CD1-CE3 4.34Å; L11-W99 HydrophobicContact CD2-CE3 4.37Å; L11-W99 HydrophobicContact CD2-CZ3 4.18Å; D13-W99 PolarHBondContact OD1-NE1 3.06Å; D13-W99 VanDerWaalsContact OD1-NE1 3.17Å; R68-W99 HydrophobicContact CB-CH2 4.44Å; R68-W99 HydrophobicContact CG-CH2 3.73Å; R68-W99 HydrophobicContact CG-CZ2 4.33Å; R68-W99 HydrophobicContact CG-CZ3 4.22Å; R68-W99 VanDerWaalsContact NH2-CD2 3.26Å; A71-W99 HydrophobicContact CB-CH2 4.09Å; A71-W99 HydrophobicContact CB-CZ3 3.61Å; I83-W99 HydrophobicContact CG2-CB 3.74Å; I83-W99 HydrophobicContact CG2-CG 4.4Å; T95-W99 VanDerWaalsContact O-CD1 3.27Å; T95-W99 PolarHBondContact O-N 3.08Å; L96-W99 WeakPolarHBondContact O-CB 3.2Å; L96-W99 PolarHBondContact O-N 3.18Å; L96-W99 VanDerWaalsContact O-N 3.1Å; W99-L103 VanDerWaalsContact O-CB 3.26Å; W99-L103 WeakPolarHBondContact O-CB 3.42Å; W99-L103 PolarHBondContact O-N 3.45Å
100V97.1Very high95.7Very high6 Ų666.2 Ų66.24%0.03634%0.335CS..Hα-helixtrans-59.2-50173.9171.70000110.4I83 L96 K97 N98 E102 L103 R104 Y136 I140I83-V100 HydrophobicContact CD1-CB 4.27Å; I83-V100 HydrophobicContact CD1-CG2 3.51Å; L96-V100 HydrophobicContact CD2-CG2 4.12Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 2.79Å; K97-V100 PolarHBondContact O-N 2.85Å; N98-V100 VanDerWaalsContact C-N 3.35Å; N98-V100 PolarHBondContact O-N 3.34Å; V100-E102 PolarHBondContact O-N 2.92Å; V100-L103 PolarHBondContact O-N 3.15Å; V100-R104 HydrophobicContact CG1-CG 4.26Å; V100-R104 WeakPolarHBondContact O-CB 3.39Å; V100-R104 VanDerWaalsContact O-CG 3.27Å; V100-R104 WeakPolarHBondContact O-CG 3.26Å; V100-R104 PolarHBondContact O-N 3.29Å; V100-Y136 HydrophobicContact CG2-CE1 4.32Å; V100-I140 HydrophobicContact CG1-CD1 3.69Å; V100-I140 HydrophobicContact CG2-CD1 4.02Å
101K96Very high95.6Very high145 Ų14561.7 Ų61.763%0.6331%0.314SS*.Hα-helixtrans-58.8-48.4-179.4-175.9-178.8178.7-177.80111.7K97 N98 R104 Q105K97-K101 PolarHBondContact O-N 3.21Å; N98-K101 PolarHBondContact O-N 2.81Å; K101-R104 PolarHBondContact O-N 3.43Å; K101-Q105 WeakPolarHBondContact O-CB 3.36Å; K101-Q105 PolarHBondContact O-N 3.36Å
102E94.2Very high95.6Very high37 Ų3756.2 Ų56.217%0.17329%0.285CS..Hα-helixtrans-59.8-46.9178-172.7-175.6142.200111.3R68 N98 V100 R104 Q105 H106R68-E102 IonicContact CZ-OE2 2.67Å; R68-E102 IonicContact NE-OE2 3.42Å; R68-E102 PolarHBondContact NE-OE2 3.09Å; R68-E102 IonicContact NH2-OE2 3.79Å; R68-E102 PolarHBondContact NH2-OE2 2.87Å; N98-E102 WeakPolarHBondContact O-CB 3.39Å; N98-E102 PolarHBondContact O-N 3.34Å; V100-E102 PolarHBondContact O-N 2.92Å; E102-R104 PolarHBondContact O-N 3.43Å; E102-Q105 PolarHBondContact O-N 3.5Å; E102-H106 PolarHBondContact O-N 3.1Å
103L96.1Very high95.6Very high1 Ų156 Ų561%0.00528%0.283CS..Hα-helixtrans-63.5-40.8178.4-177.568.6000112.1L11 Y75 A81 I83 W99 V100 Q105 G107 I111 V113L11-L103 HydrophobicContact CD1-CD1 4.24Å; Y75-L103 HydrophobicContact CD1-CD1 3.77Å; Y75-L103 HydrophobicContact CD2-CD1 3.92Å; Y75-L103 HydrophobicContact CE1-CD1 4.32Å; Y75-L103 HydrophobicContact CE2-CD1 4.46Å; Y75-L103 HydrophobicContact CG-CD1 3.53Å; A81-L103 HydrophobicContact CB-CD1 4.43Å; A81-L103 HydrophobicContact CB-CD2 3.44Å; A81-L103 VanDerWaalsContact CB-CD2 3.44Å; I83-L103 HydrophobicContact CD1-CD2 4.1Å; W99-L103 VanDerWaalsContact O-CB 3.26Å; W99-L103 WeakPolarHBondContact O-CB 3.42Å; W99-L103 PolarHBondContact O-N 3.45Å; V100-L103 PolarHBondContact O-N 3.15Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 2.99Å; L103-G107 WeakPolarHBondContact O-CA 3.27Å; L103-G107 PolarHBondContact O-N 3.33Å; L103-I111 HydrophobicContact CD1-CD1 4.01Å; L103-I111 HydrophobicContact CD2-CD1 4.32Å; L103-I111 HydrophobicContact CD2-CG2 4.27Å; L103-I111 HydrophobicContact CG-CG2 4.28Å; L103-V113 HydrophobicContact CD2-CG2 3.96Å
104R94.8Very high95.6Very high112 Ų11255.5 Ų55.542%0.42328%0.281SS..Hα-helixtrans-68-31.3177.1-69.2-66.1-169.1-163.33.1112.1V100 K101 E102 I111 I140V100-R104 HydrophobicContact CG1-CG 4.26Å; V100-R104 WeakPolarHBondContact O-CB 3.39Å; V100-R104 VanDerWaalsContact O-CG 3.27Å; V100-R104 WeakPolarHBondContact O-CG 3.26Å; V100-R104 PolarHBondContact O-N 3.29Å; K101-R104 PolarHBondContact O-N 3.43Å; E102-R104 PolarHBondContact O-N 3.43Å; R104-I111 PolarHBondContact NH1-O 2.9Å; R104-I140 PolarHBondContact NH2-O 3.07Å
105Q94.6Very high95.7Very high132 Ų13251.7 Ų51.762%0.61726%0.263SS*.Hα-helixtrans-78-36.7-179.7-173.3175.8-3.200113K101 E102 L103K101-Q105 WeakPolarHBondContact O-CB 3.36Å; K101-Q105 PolarHBondContact O-N 3.36Å; E102-Q105 PolarHBondContact O-N 3.5Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 2.99Å
106H93.3Very high95.8Very high113 Ų11350.2 Ų50.252%0.52325%0.254SS..Hα-helixtrans-122.6-12.6-168.6-62.4-60.2000114.3Y75 E102Y75-H106 HydrophobicContact CE2-CB 4.18Å; Y75-H106 WeakPolarHBondContact OH-CB 3.2Å; E102-H106 PolarHBondContact O-N 3.1Å
107G94.6Very high95.9Very high19 Ų1950.2 Ų50.220%0.19625%0.254CS..SBendtrans-81.5177.5-179.100000113.5L103L103-G107 WeakPolarHBondContact O-CA 3.27Å; L103-G107 PolarHBondContact O-N 3.33Å
108P94.9Very high95.9Very high33 Ų3347.4 Ų47.421%0.21424%0.242CC..  trans-59.6138.6174.4-2032.3000111.1Y75 N110 I111Y75-P108 WeakPolarHBondContact O-CD 3.49Å; Y75-P108 WeakPolarHBondContact O-CG 3.45Å; P108-N110 VanDerWaalsContact C-N 3.25Å; P108-N110 PolarHBondContact O-N 3.33Å; P108-I111 HydrophobicContact CB-CB 4.21Å; P108-I111 HydrophobicContact CG-CB 4.44Å; P108-I111 HydrophobicContact CG-CD1 4.43Å; P108-I111 WeakPolarHBondContact O-CB 3.42Å; P108-I111 VanDerWaalsContact O-CG2 3.25Å; P108-I111 WeakPolarHBondContact O-CG2 3.42Å; P108-I111 PolarHBondContact O-N 2.89Å; P108-I111 VanDerWaalsContact O-N 3.16Å
109P90.2Very high96Very high119 Ų11945.4 Ų45.477%0.77323%0.229SC*.THydrogen-bonded Turntrans-61.8-32.6-173.322.9-33.6000113.3
110N90.4Very high96.1Very high151 Ų15145.9 Ų45.981%0.80723%0.233SC*.THydrogen-bonded Turntrans-104.723.8-177.9-60.9-30.7000112.7P108 V112P108-N110 VanDerWaalsContact C-N 3.25Å; P108-N110 PolarHBondContact O-N 3.33Å; N110-V112 PolarHBondContact O-N 3.32Å
111I95.8Very high96.2Very high7 Ų747.4 Ų47.44%0.03624%0.241CC..  trans-66.6128.8178.8-164.6169.5000110.5A81 L103 R104 P108 V113A81-I111 HydrophobicContact CB-CD1 3.85Å; L103-I111 HydrophobicContact CD1-CD1 4.01Å; L103-I111 HydrophobicContact CD2-CD1 4.32Å; L103-I111 HydrophobicContact CD2-CG2 4.27Å; L103-I111 HydrophobicContact CG-CG2 4.28Å; R104-I111 PolarHBondContact NH1-O 2.9Å; P108-I111 HydrophobicContact CB-CB 4.21Å; P108-I111 HydrophobicContact CG-CB 4.44Å; P108-I111 HydrophobicContact CG-CD1 4.43Å; P108-I111 WeakPolarHBondContact O-CB 3.42Å; P108-I111 VanDerWaalsContact O-CG2 3.25Å; P108-I111 WeakPolarHBondContact O-CG2 3.42Å; P108-I111 PolarHBondContact O-N 2.89Å; P108-I111 VanDerWaalsContact O-N 3.16Å; I111-V113 HydrophobicContact CG2-CG2 4.3Å; I111-V113 PolarHBondContact O-N 3.46Å
112V97.7Very high96.3Very high16 Ų1643.7 Ų43.710%0.09723%0.227CC..EExtended strand (participates in β ladder)trans-71.4127170.4173.80000108.3A79 A80 A81 N110 I143 R165 I166A79-V112 PolarHBondContact O-N 3.46Å; A80-V112 CarbonylContact C-O 3.53Å; A80-V112 WeakPolarHBondContact CA-O 3.42Å; A80-V112 HydrophobicContact CB-CB 3.9Å; A80-V112 HydrophobicContact CB-CG1 4.36Å; A80-V112 WeakPolarHBondContact CB-O 3.13Å; A81-V112 PolarHBondContact N-O 2.93Å; N110-V112 PolarHBondContact O-N 3.32Å; V112-I143 HydrophobicContact CG1-CD1 3.66Å; V112-R165 HydrophobicContact CG1-CB 3.97Å; V112-R165 HydrophobicContact CG1-CG 3.97Å; V112-R165 HydrophobicContact CG2-CB 4.2Å; V112-R165 HydrophobicContact CG2-CG 4.05Å; V112-I166 HydrophobicContact CB-CG1 4.39Å; V112-I166 HydrophobicContact CG2-CG1 3.77Å
113V98.3Very high96.3Very high4 Ų447.1 Ų47.12%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-105.5127.6177.4-178.10000108.5I83 L103 I111 A142 I143I83-V113 HydrophobicContact CD1-CG1 3.91Å; I83-V113 HydrophobicContact CG1-CG1 4.45Å; L103-V113 HydrophobicContact CD2-CG2 3.96Å; I111-V113 HydrophobicContact CG2-CG2 4.3Å; I111-V113 PolarHBondContact O-N 3.46Å; V113-A142 HydrophobicContact CB-CB 4.15Å; V113-A142 HydrophobicContact CG1-CB 4Å; V113-A142 CarbonylContact O-C 3.47Å; V113-A142 VanDerWaalsContact O-CA 3.3Å; V113-A142 WeakPolarHBondContact O-CA 3.36Å; V113-A142 WeakPolarHBondContact O-CB 3.32Å; V113-I143 PolarHBondContact O-N 3.29Å
114A98.7Very high96.4Very high0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-118.1134.3169.600000109.5A81 I82 I83 I143 V158 I162A81-A114 PolarHBondContact O-N 2.92Å; I82-A114 CarbonylContact C-O 3.46Å; I82-A114 WeakPolarHBondContact CA-O 3.12Å; I82-A114 HydrophobicContact CG1-CB 4.36Å; I83-A114 PolarHBondContact N-O 3Å; A114-I143 CarbonylContact C-O 3.54Å; A114-I143 WeakPolarHBondContact CA-O 3.49Å; A114-I143 HydrophobicContact CB-CB 3.95Å; A114-I143 HydrophobicContact CB-CD1 4.43Å; A114-I143 HydrophobicContact CB-CG2 4.31Å; A114-V158 HydrophobicContact CB-CG2 4.11Å; A114-I162 HydrophobicContact CB-CD1 4.22Å; A114-I162 HydrophobicContact CB-CG1 4.26Å
115I98.8Very high96.5Very high0 Ų053.3 Ų53.30%029%0.293CS..EExtended strand (participates in β ladder)trans-101.5124.8171.8-69175.9000107.5I83 Y85 L96 Y136 A137 I140 A142 I143 F144 V145I83-I115 WeakPolarHBondContact O-CA 3.41Å; Y85-I115 HydrophobicContact CD1-CG2 4.01Å; Y85-I115 HydrophobicContact CE1-CG2 3.76Å; L96-I115 HydrophobicContact CD1-CG1 4.36Å; L96-I115 HydrophobicContact CD1-CG2 3.87Å; L96-I115 HydrophobicContact CD2-CD1 3.99Å; L96-I115 HydrophobicContact CD2-CG1 4.33Å; I115-Y136 HydrophobicContact CD1-CD1 3.76Å; I115-Y136 HydrophobicContact CD1-CE1 3.77Å; I115-A137 HydrophobicContact CD1-CB 3.9Å; I115-I140 HydrophobicContact CD1-CD1 3.93Å; I115-A142 HydrophobicContact CD1-CB 4.24Å; I115-A142 HydrophobicContact CG1-CB 4.29Å; I115-I143 PolarHBondContact N-O 3.38Å; I115-F144 HydrophobicContact CB-CD2 4.19Å; I115-F144 HydrophobicContact CG2-CD2 3.79Å; I115-F144 HydrophobicContact CG2-CE2 4.14Å; I115-V145 PolarHBondContact O-N 3.16Å
116A98.8Very high96.7Very high0 Ų050.1 Ų50.10%028%0.276CS..EExtended strand (participates in β ladder)trans-112.8112.3175.700000110.4I21 I82 I83 V84 Y85 N118 V145 T147I21-A116 HydrophobicContact CD1-CB 4.44Å; I82-A116 HydrophobicContact CG2-CB 3.84Å; I83-A116 PolarHBondContact O-N 3.28Å; V84-A116 WeakPolarHBondContact CA-O 3.47Å; V84-A116 HydrophobicContact CG1-CB 4.46Å; V84-A116 HydrophobicContact CG2-CB 4.25Å; Y85-A116 WeakPolarHBondContact CD1-O 3.44Å; Y85-A116 PolarHBondContact N-O 3.38Å; A116-N118 PolarHBondContact O-N 2.98Å; A116-V145 VanDerWaalsContact CA-O 3.28Å; A116-V145 WeakPolarHBondContact CA-O 3.49Å; A116-T147 HydrophobicContact CB-CG2 4.48Å
117G98.8Very high96.9Very high0 Ų050.1 Ų50.10%028%0.276CS..EExtended strand (participates in β ladder)trans-84.492.9170.100000110V145 E146 T147G117-V145 PolarHBondContact N-O 3.21Å; G117-E146 CarbonylContact O-C 3.57Å; G117-E146 VanDerWaalsContact O-CA 3.31Å; G117-E146 WeakPolarHBondContact O-CA 3.29Å; G117-T147 PolarHBondContact O-N 3.16Å
118N98.8Very high97.1Very high4 Ų449.4 Ų49.42%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-85.1162-173.4-170.335.5000112.2V16 I21 V84 Y85 I87 A116 T147 A149V16-N118 PolarHBondContact O-ND2 3.08Å; I21-N118 HydrophobicContact CD1-CB 4.11Å; V84-N118 HydrophobicContact CG1-CB 3.84Å; Y85-N118 PolarHBondContact O-N 2.82Å; I87-N118 WeakPolarHBondContact CG1-O 3.38Å; I87-N118 PolarHBondContact N-O 2.81Å; A116-N118 PolarHBondContact O-N 2.98Å; N118-T147 CarbonylContact C-O 3.58Å; N118-T147 VanDerWaalsContact CA-O 3.25Å; N118-T147 WeakPolarHBondContact CA-O 3.48Å; N118-T147 PolarHBondContact OD1-O 3.15Å; N118-T147 PolarHBondContact OD1-OG1 3.09Å; N118-A149 PolarHBondContact OD1-N 2.99Å
119K98.6Very high97.3Very high50 Ų5050.7 Ų50.722%0.21728%0.276CS..  trans69.632.9-177.3-44.5-171.9-166.4169.90113.3G15 D86 I87 D121 L122 T147G15-K119 PolarHBondContact O-NZ 3.48Å; D86-K119 WeakPolarHBondContact OD1-CD 3.35Å; D86-K119 WeakPolarHBondContact OD2-CD 3.44Å; D86-K119 VanDerWaalsContact OD2-CE 3.25Å; D86-K119 WeakPolarHBondContact OD2-CE 3.42Å; D86-K119 IonicContact OD2-NZ 2.79Å; D86-K119 PolarHBondContact OD2-NZ 3.22Å; I87-K119 WeakPolarHBondContact CD1-O 3.25Å; I87-K119 WeakPolarHBondContact CG1-O 3.33Å; K119-D121 WeakPolarHBondContact CA-OD1 3.28Å; K119-D121 PolarHBondContact O-N 3.26Å; K119-L122 HydrophobicContact CB-CD1 4.16Å; K119-L122 HydrophobicContact CB-CG 4.45Å; K119-L122 HydrophobicContact CD-CD1 4.33Å; K119-L122 PolarHBondContact O-N 3.17Å; K119-T147 PolarHBondContact N-O 3.36Å
120C98.4Very high97.6Very high14 Ų1449.7 Ų49.710%0.09526%0.261CS..THydrogen-bonded Turntrans-62.7-9.5176.471.50000114.2I87 L122 L123 E146 T147I87-C120 HydrophobicContact CD1-CB 4.45Å; C120-L122 PolarHBondContact O-N 3.09Å; C120-L123 WeakPolarHBondContact O-CD2 3.43Å; C120-L123 WeakPolarHBondContact O-CG 3.47Å; C120-E146 HydrophobicContact CB-CB 4.02Å; C120-T147 PolarHBondContact N-O 2.96Å; C120-T147 PolarHBondContact SG-O 3.16Å
121D98.3Very high98Very high39 Ų3949.3 Ų49.321%0.20925%0.252CS..THydrogen-bonded Turntrans-69.2-15.2168.259-76.4000114.2K119 L123 S148 K150 N151K119-D121 WeakPolarHBondContact CA-OD1 3.28Å; K119-D121 PolarHBondContact O-N 3.26Å; D121-L123 PolarHBondContact O-N 3.48Å; D121-S148 VanDerWaalsContact CG-OG 3.27Å; D121-S148 VanDerWaalsContact OD1-CB 3.27Å; D121-S148 WeakPolarHBondContact OD1-CB 3.34Å; D121-S148 PolarHBondContact OD1-OG 3.3Å; D121-K150 WeakPolarHBondContact OD2-CD 3.46Å; D121-K150 IonicContact OD2-NZ 2.69Å; D121-N151 VanDerWaalsContact CB-ND2 3.33Å; D121-N151 WeakPolarHBondContact CB-ND2 3.25Å
122L97.4Very high98.1Very high66 Ų6652.9 Ų52.935%0.34627%0.272SS..  trans-101.453.1-178.6-57.7180000112T88 K119 C120 D124 S125 R126T88-L122 HydrophobicContact CG2-CB 3.68Å; T88-L122 HydrophobicContact CG2-CD1 4.01Å; T88-L122 HydrophobicContact CG2-CG 4.5Å; K119-L122 HydrophobicContact CB-CD1 4.16Å; K119-L122 HydrophobicContact CB-CG 4.45Å; K119-L122 HydrophobicContact CD-CD1 4.33Å; K119-L122 PolarHBondContact O-N 3.17Å; C120-L122 PolarHBondContact O-N 3.09Å; L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 2.94Å; L122-S125 PolarHBondContact O-N 3.04Å; L122-S125 VanDerWaalsContact O-N 3.09Å; L122-R126 PolarHBondContact O-N 3.12Å
123L95.2Very high98.2Very high110 Ų11052.1 Ų52.158%0.57627%0.267SS*.G310 helixtrans-57.7-37.6-175-65.8175.8000113.5C120 D121 S125 R126C120-L123 WeakPolarHBondContact O-CD2 3.43Å; C120-L123 WeakPolarHBondContact O-CG 3.47Å; D121-L123 PolarHBondContact O-N 3.48Å; L123-S125 PolarHBondContact O-N 3.03Å; L123-R126 VanDerWaalsContact O-CB 3.27Å; L123-R126 WeakPolarHBondContact O-CB 3.35Å; L123-R126 PolarHBondContact O-N 3.09Å
124D97.3Very high98.2Very high170 Ų17056.8 Ų56.891%0.90929%0.287SS*.G310 helixtrans-68.1-17.2-178.9-60.9-36000113.4L122L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 2.94Å
125S97.6Very high98.2Very high72 Ų7260.8 Ų60.850%0.50331%0.308SS..G310 helixtrans-109.916.4178.1-53.20000112.3T88 L122 L123 E127T88-S125 VanDerWaalsContact CA-O 3.27Å; T88-S125 WeakPolarHBondContact CA-O 3.37Å; T88-S125 VanDerWaalsContact CB-O 3.29Å; T88-S125 WeakPolarHBondContact CB-O 3.42Å; T88-S125 WeakPolarHBondContact CG2-O 3.45Å; L122-S125 PolarHBondContact O-N 3.04Å; L122-S125 VanDerWaalsContact O-N 3.09Å; L123-S125 PolarHBondContact O-N 3.03Å; S125-E127 PolarHBondContact O-N 2.76Å
126R98.4Very high98.2Very high66 Ų6662.9 Ų62.925%0.24932%0.317CS..  trans-65.4125-179.8178.1-179.8-70.7-88.57.1110.8I87 L122 L123 V128 E146I87-R126 HydrophobicContact CD1-CB 4.33Å; I87-R126 HydrophobicContact CD1-CG 4.4Å; L122-R126 PolarHBondContact O-N 3.12Å; L123-R126 VanDerWaalsContact O-CB 3.27Å; L123-R126 WeakPolarHBondContact O-CB 3.35Å; L123-R126 PolarHBondContact O-N 3.09Å; R126-V128 WeakPolarHBondContact CD-O 3.38Å; R126-V128 WeakPolarHBondContact CG-O 3.06Å; R126-V128 PolarHBondContact NH1-O 2.86Å; R126-E146 IonicContact CZ-OE1 3.76Å; R126-E146 VanDerWaalsContact CZ-OE1 3.32Å; R126-E146 IonicContact CZ-OE2 2.78Å; R126-E146 IonicContact NH1-OE1 3.03Å; R126-E146 PolarHBondContact NH1-OE1 2.87Å; R126-E146 IonicContact NH1-OE2 2.9Å; R126-E146 VanDerWaalsContact NH2-CD 3.3Å; R126-E146 IonicContact NH2-OE1 2.75Å; R126-E146 PolarHBondContact NH2-OE1 2.95Å; R126-E146 IonicContact NH2-OE2 3.32Å; R126-E146 PolarHBondContact NH2-OE2 2.88Å
127E98.6Very high98.2Very high112 Ų11262.9 Ų62.952%0.52332%0.317SS..  trans-105.5-26.9171.6-65-175.3179.100111.7I87 T88 K89 E90 S125 P129I87-E127 PolarHBondContact O-N 3.01Å; T88-E127 WeakPolarHBondContact O-CG 3.47Å; K89-E127 VanDerWaalsContact CA-OE2 3.31Å; K89-E127 WeakPolarHBondContact CA-OE2 3.4Å; E90-E127 HydrophobicContact CB-CB 4.28Å; E90-E127 PolarHBondContact N-OE2 3.49Å; S125-E127 PolarHBondContact O-N 2.76Å; E127-P129 WeakPolarHBondContact O-CD 3.49Å
128V98.4Very high98.1Very high4 Ų467 Ų672%0.02434%0.339CS..SBendtrans-104.2112.9179.8-174.70000110.1Y85 I87 E90 F93 R126 E130 A133Y85-V128 HydrophobicContact CD2-CG2 4.37Å; Y85-V128 HydrophobicContact CE2-CB 3.93Å; Y85-V128 HydrophobicContact CE2-CG1 3.81Å; Y85-V128 HydrophobicContact CE2-CG2 4.11Å; I87-V128 PolarHBondContact O-N 2.94Å; I87-V128 VanDerWaalsContact O-N 3.09Å; E90-V128 HydrophobicContact CB-CG2 4.49Å; F93-V128 HydrophobicContact CB-CG1 4.33Å; F93-V128 HydrophobicContact CB-CG2 3.83Å; F93-V128 HydrophobicContact CD1-CG1 4.05Å; F93-V128 HydrophobicContact CD2-CG1 4.36Å; F93-V128 HydrophobicContact CE1-CG1 4.47Å; F93-V128 HydrophobicContact CG-CG1 4Å; F93-V128 HydrophobicContact CG-CG2 4.39Å; R126-V128 WeakPolarHBondContact CD-O 3.38Å; R126-V128 WeakPolarHBondContact CG-O 3.06Å; R126-V128 PolarHBondContact NH1-O 2.86Å; V128-E130 PolarHBondContact O-N 2.58Å; V128-A133 HydrophobicContact CG1-CB 4.28Å
129P98.3Very high98.1Very high60 Ų6070.6 Ų70.639%0.3936%0.364SS..  trans-59.7134.2172.6-23.335000110.9E127 K131 D132 A133E127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-K131 PolarHBondContact O-N 3.32Å; P129-D132 HydrophobicContact CB-CB 4.41Å; P129-D132 WeakPolarHBondContact CG-OD2 3.38Å; P129-D132 PolarHBondContact O-N 3.45Å; P129-D132 VanDerWaalsContact O-N 3.09Å; P129-A133 PolarHBondContact O-N 2.88Å
130E97.9Very high98.1Very high99 Ų9969.8 Ų69.846%0.46336%0.362SS..Hα-helixtrans-55-39.7178.1-176.1-174.1165.700111.3V128 D132 A133 K134 F144 E146V128-E130 PolarHBondContact O-N 2.58Å; E130-D132 VanDerWaalsContact C-N 3.35Å; E130-D132 PolarHBondContact O-N 3.09Å; E130-A133 PolarHBondContact O-N 3.34Å; E130-K134 WeakPolarHBondContact O-CB 3.39Å; E130-K134 PolarHBondContact O-N 3.48Å; E130-F144 HydrophobicContact CG-CE1 3.78Å; E130-F144 HydrophobicContact CG-CZ 4.13Å; E130-E146 HydrophobicContact CG-CG 4.16Å
131K98.3Very high98Very high142 Ų14276.3 Ų76.362%0.61739%0.391SS*.Hα-helixtrans-56.6-46.2177.8-174.1-175.2173.9-168.70112.1P129 A133 K134 D135P129-K131 PolarHBondContact O-N 3.32Å; K131-A133 VanDerWaalsContact C-N 3.32Å; K131-A133 PolarHBondContact O-N 3.28Å; K131-K134 PolarHBondContact O-N 2.92Å; K131-D135 WeakPolarHBondContact CE-OD2 3.31Å; K131-D135 WeakPolarHBondContact O-CB 3.48Å; K131-D135 PolarHBondContact O-N 3.04Å
132D98.3Very high98Very high83 Ų8374.9 Ų74.944%0.44438%0.384SS..Hα-helixtrans-67-38.3-176.5-63.9-6.7000111.3P129 E130 Y136P129-D132 HydrophobicContact CB-CB 4.41Å; P129-D132 WeakPolarHBondContact CG-OD2 3.38Å; P129-D132 PolarHBondContact O-N 3.45Å; P129-D132 VanDerWaalsContact O-N 3.09Å; E130-D132 VanDerWaalsContact C-N 3.35Å; E130-D132 PolarHBondContact O-N 3.09Å; D132-Y136 WeakPolarHBondContact O-CB 3.47Å; D132-Y136 PolarHBondContact O-N 3.33Å
133A98.4Very high98Very high0 Ų072.7 Ų72.70%037%0.373CS..Hα-helixtrans-68.6-39.317600000112.3Y85 F93 V128 P129 E130 K131 A137 F144Y85-A133 HydrophobicContact CE1-CB 4.24Å; Y85-A133 WeakPolarHBondContact OH-CB 3.39Å; F93-A133 HydrophobicContact CE2-CB 3.83Å; F93-A133 HydrophobicContact CZ-CB 4.13Å; V128-A133 HydrophobicContact CG1-CB 4.28Å; P129-A133 PolarHBondContact O-N 2.88Å; E130-A133 PolarHBondContact O-N 3.34Å; K131-A133 VanDerWaalsContact C-N 3.32Å; K131-A133 PolarHBondContact O-N 3.28Å; A133-A137 WeakPolarHBondContact O-CB 3.31Å; A133-A137 PolarHBondContact O-N 2.98Å; A133-F144 HydrophobicContact CB-CD2 4.35Å; A133-F144 HydrophobicContact CB-CE2 3.48Å; A133-F144 VanDerWaalsContact CB-CE2 3.48Å; A133-F144 HydrophobicContact CB-CZ 3.72Å
134K98.5Very high98.2Very high102 Ų10269.1 Ų69.144%0.44335%0.353SS..Hα-helixtrans-66.8-49.5175.4-174.2176.9-179.9177.90112E130 K131 Y136 A137 D138 F144E130-K134 WeakPolarHBondContact O-CB 3.39Å; E130-K134 PolarHBondContact O-N 3.48Å; K131-K134 PolarHBondContact O-N 2.92Å; K134-Y136 PolarHBondContact O-N 2.89Å; K134-A137 PolarHBondContact O-N 3.25Å; K134-D138 WeakPolarHBondContact O-CB 3.32Å; K134-D138 PolarHBondContact O-N 3.49Å; K134-F144 HydrophobicContact CB-CD1 3.82Å; K134-F144 HydrophobicContact CB-CE1 4Å; K134-F144 HydrophobicContact CB-CG 4.41Å; K134-F144 HydrophobicContact CG-CD1 4.09Å
135D98.7Very high98.3Very high83 Ų8361.6 Ų61.644%0.44431%0.313SS..Hα-helixtrans-57.6-40.4177.7-72.7-8.6000110.4K131 S139K131-D135 WeakPolarHBondContact CE-OD2 3.31Å; K131-D135 WeakPolarHBondContact O-CB 3.48Å; K131-D135 PolarHBondContact O-N 3.04Å; D135-S139 WeakPolarHBondContact O-CB 3.05Å; D135-S139 PolarHBondContact O-N 2.83Å; D135-S139 VanDerWaalsContact O-N 3.08Å
136Y98.7Very high98.3Very high45 Ų4559.2 Ų59.218%0.17629%0.293CS..Hα-helixtrans-64.2-48.9173.3176.5-111.7000112.4F93 L96 K97 V100 I115 D132 K134 D138 S139 I140F93-Y136 HydrophobicContact CE2-CD1 4.12Å; F93-Y136 HydrophobicContact CZ-CD1 4.01Å; F93-Y136 HydrophobicContact CZ-CG 4.14Å; L96-Y136 HydrophobicContact CD2-CD1 4.22Å; L96-Y136 HydrophobicContact CD2-CE1 3.67Å; K97-Y136 HydrophobicContact CD-CE2 4.34Å; K97-Y136 HydrophobicContact CG-CE1 3.9Å; K97-Y136 HydrophobicContact CG-CE2 4.06Å; V100-Y136 HydrophobicContact CG2-CE1 4.32Å; I115-Y136 HydrophobicContact CD1-CD1 3.76Å; I115-Y136 HydrophobicContact CD1-CE1 3.77Å; D132-Y136 WeakPolarHBondContact O-CB 3.47Å; D132-Y136 PolarHBondContact O-N 3.33Å; K134-Y136 PolarHBondContact O-N 2.89Å; Y136-D138 VanDerWaalsContact C-N 3.33Å; Y136-D138 PolarHBondContact O-N 2.84Å; Y136-S139 WeakPolarHBondContact O-CB 3.12Å; Y136-S139 PolarHBondContact O-N 2.78Å; Y136-S139 PolarHBondContact O-OG 3.38Å; Y136-I140 HydrophobicContact CE1-CD1 3.96Å; Y136-I140 HydrophobicContact CE2-CG2 4.05Å; Y136-I140 PolarHBondContact O-N 2.74Å
137A98.6Very high98.3Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-58.9-44179.200000112.2I115 A133 K134 S139 I140 H141 A142 F144I115-A137 HydrophobicContact CD1-CB 3.9Å; A133-A137 WeakPolarHBondContact O-CB 3.31Å; A133-A137 PolarHBondContact O-N 2.98Å; K134-A137 PolarHBondContact O-N 3.25Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.17Å; A137-I140 CarbonylContact O-C 3.6Å; A137-I140 VanDerWaalsContact O-CG1 3.25Å; A137-I140 WeakPolarHBondContact O-CG1 3.44Å; A137-I140 PolarHBondContact O-N 2.94Å; A137-H141 PolarHBondContact O-N 3.21Å; A137-A142 HydrophobicContact CB-CB 4.3Å; A137-A142 PolarHBondContact O-N 2.89Å; A137-F144 HydrophobicContact CB-CB 3.65Å; A137-F144 HydrophobicContact CB-CD2 4.34Å; A137-F144 HydrophobicContact CB-CG 4.28Å
138D98.4Very high98.4Very high86 Ų8650.7 Ų50.746%0.4626%0.257SS..Hα-helixtrans-60.9-42.2177-72.6-20.4000110.9K134 Y136 I140 H141K134-D138 WeakPolarHBondContact O-CB 3.32Å; K134-D138 PolarHBondContact O-N 3.49Å; Y136-D138 VanDerWaalsContact C-N 3.33Å; Y136-D138 PolarHBondContact O-N 2.84Å; D138-I140 PolarHBondContact O-N 3.28Å; D138-I140 VanDerWaalsContact O-N 3.17Å; D138-H141 PolarHBondContact O-N 3.44Å; D138-H141 VanDerWaalsContact O-N 3.09Å
139S98.4Very high98.4Very high80 Ų8050.6 Ų50.656%0.55926%0.256SS*.Hα-helixtrans-61.5-24178.381.20000114.1D135 Y136 A137D135-S139 WeakPolarHBondContact O-CB 3.05Å; D135-S139 PolarHBondContact O-N 2.83Å; D135-S139 VanDerWaalsContact O-N 3.08Å; Y136-S139 WeakPolarHBondContact O-CB 3.12Å; Y136-S139 PolarHBondContact O-N 2.78Å; Y136-S139 PolarHBondContact O-OG 3.38Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.17Å
140I97.2Very high98.4Very high33 Ų3352.8 Ų52.817%0.16926%0.26CS..THydrogen-bonded Turntrans-110.28.917967165.7000113V100 R104 I115 Y136 A137 D138 A142V100-I140 HydrophobicContact CG1-CD1 3.69Å; V100-I140 HydrophobicContact CG2-CD1 4.02Å; R104-I140 PolarHBondContact NH2-O 3.07Å; I115-I140 HydrophobicContact CD1-CD1 3.93Å; Y136-I140 HydrophobicContact CE1-CD1 3.96Å; Y136-I140 HydrophobicContact CE2-CG2 4.05Å; Y136-I140 PolarHBondContact O-N 2.74Å; A137-I140 CarbonylContact O-C 3.6Å; A137-I140 VanDerWaalsContact O-CG1 3.25Å; A137-I140 WeakPolarHBondContact O-CG1 3.44Å; A137-I140 PolarHBondContact O-N 2.94Å; D138-I140 PolarHBondContact O-N 3.28Å; D138-I140 VanDerWaalsContact O-N 3.17Å; I140-A142 HydrophobicContact CD1-CB 3.76Å; I140-A142 HydrophobicContact CG1-CB 3.71Å; I140-A142 PolarHBondContact O-N 2.98Å
141H96.8Very high98.4Very high151 Ų15152.4 Ų52.470%0.69926%0.261SS*.THydrogen-bonded Turntrans52.938-175.8-52.4-58.7000113.6A137 D138A137-H141 PolarHBondContact O-N 3.21Å; D138-H141 PolarHBondContact O-N 3.44Å; D138-H141 VanDerWaalsContact O-N 3.09Å
142A98.3Very high98.4Very high9 Ų947.8 Ų47.87%0.07425%0.249CC..  trans-90.5153.2173.900000111V113 I115 A137 I140V113-A142 HydrophobicContact CB-CB 4.15Å; V113-A142 HydrophobicContact CG1-CB 4Å; V113-A142 CarbonylContact O-C 3.47Å; V113-A142 VanDerWaalsContact O-CA 3.3Å; V113-A142 WeakPolarHBondContact O-CA 3.36Å; V113-A142 WeakPolarHBondContact O-CB 3.32Å; I115-A142 HydrophobicContact CD1-CB 4.24Å; I115-A142 HydrophobicContact CG1-CB 4.29Å; A137-A142 HydrophobicContact CB-CB 4.3Å; A137-A142 PolarHBondContact O-N 2.89Å; I140-A142 HydrophobicContact CD1-CB 3.76Å; I140-A142 HydrophobicContact CG1-CB 3.71Å; I140-A142 PolarHBondContact O-N 2.98Å
143I98.6Very high98.4Very high20 Ų2046.9 Ų46.910%0.10324%0.244CC..EExtended strand (participates in β ladder)trans-68139.9165-63.5159.1000107.5V112 V113 A114 I115 V145 E161 I162 R165V112-I143 HydrophobicContact CG1-CD1 3.66Å; V113-I143 PolarHBondContact O-N 3.29Å; A114-I143 CarbonylContact C-O 3.54Å; A114-I143 WeakPolarHBondContact CA-O 3.49Å; A114-I143 HydrophobicContact CB-CB 3.95Å; A114-I143 HydrophobicContact CB-CD1 4.43Å; A114-I143 HydrophobicContact CB-CG2 4.31Å; I115-I143 PolarHBondContact N-O 3.38Å; I143-V145 HydrophobicContact CG2-CG2 3.97Å; I143-E161 HydrophobicContact CD1-CB 4.11Å; I143-E161 HydrophobicContact CG1-CB 4.5Å; I143-E161 HydrophobicContact CG2-CB 3.68Å; I143-E161 HydrophobicContact CG2-CG 4.19Å; I143-I162 HydrophobicContact CD1-CG1 4.18Å; I143-R165 HydrophobicContact CD1-CB 4.05Å; I143-R165 HydrophobicContact CD1-CG 4.42Å
144F98.8Very high98.4Very high35 Ų3550.6 Ų50.615%0.15426%0.264CS..EExtended strand (participates in β ladder)trans-122.7129.2171.9178.6-108.3000110.8Y85 I115 E130 A133 K134 A137 E146Y85-F144 HydrophobicContact CE1-CE2 4.21Å; I115-F144 HydrophobicContact CB-CD2 4.19Å; I115-F144 HydrophobicContact CG2-CD2 3.79Å; I115-F144 HydrophobicContact CG2-CE2 4.14Å; E130-F144 HydrophobicContact CG-CE1 3.78Å; E130-F144 HydrophobicContact CG-CZ 4.13Å; A133-F144 HydrophobicContact CB-CD2 4.35Å; A133-F144 HydrophobicContact CB-CE2 3.48Å; A133-F144 VanDerWaalsContact CB-CE2 3.48Å; A133-F144 HydrophobicContact CB-CZ 3.72Å; K134-F144 HydrophobicContact CB-CD1 3.82Å; K134-F144 HydrophobicContact CB-CE1 4Å; K134-F144 HydrophobicContact CB-CG 4.41Å; K134-F144 HydrophobicContact CG-CD1 4.09Å; A137-F144 HydrophobicContact CB-CB 3.65Å; A137-F144 HydrophobicContact CB-CD2 4.34Å; A137-F144 HydrophobicContact CB-CG 4.28Å; F144-E146 HydrophobicContact CE1-CG 4.02Å; F144-E146 HydrophobicContact CZ-CG 3.67Å
145V98.7Very high98.4Very high12 Ų1245.9 Ų45.97%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-143.6124.6176.3-1770000109.2I115 A116 G117 I143 T147 N154 V158I115-V145 PolarHBondContact O-N 3.16Å; A116-V145 VanDerWaalsContact CA-O 3.28Å; A116-V145 WeakPolarHBondContact CA-O 3.49Å; G117-V145 PolarHBondContact N-O 3.21Å; I143-V145 HydrophobicContact CG2-CG2 3.97Å; V145-T147 HydrophobicContact CB-CG2 4.48Å; V145-T147 HydrophobicContact CG1-CG2 3.85Å; V145-N154 HydrophobicContact CG1-CB 3.5Å; V145-N154 VanDerWaalsContact CG1-CB 3.5Å; V145-V158 HydrophobicContact CB-CB 4.25Å; V145-V158 HydrophobicContact CB-CG2 4.48Å; V145-V158 HydrophobicContact CG1-CB 4.37Å; V145-V158 HydrophobicContact CG2-CB 4.22Å; V145-V158 HydrophobicContact CG2-CG2 4.41Å
146E98.7Very high98.3Very high21 Ų2146.1 Ų46.110%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-79.1134.6164.7-69.9-153.8154.300110.6G117 C120 R126 E130 F144 N154G117-E146 CarbonylContact O-C 3.57Å; G117-E146 VanDerWaalsContact O-CA 3.31Å; G117-E146 WeakPolarHBondContact O-CA 3.29Å; C120-E146 HydrophobicContact CB-CB 4.02Å; R126-E146 IonicContact CZ-OE1 3.76Å; R126-E146 VanDerWaalsContact CZ-OE1 3.32Å; R126-E146 IonicContact CZ-OE2 2.78Å; R126-E146 IonicContact NH1-OE1 3.03Å; R126-E146 PolarHBondContact NH1-OE1 2.87Å; R126-E146 IonicContact NH1-OE2 2.9Å; R126-E146 VanDerWaalsContact NH2-CD 3.3Å; R126-E146 IonicContact NH2-OE1 2.75Å; R126-E146 PolarHBondContact NH2-OE1 2.95Å; R126-E146 IonicContact NH2-OE2 3.32Å; R126-E146 PolarHBondContact NH2-OE2 2.88Å; E130-E146 HydrophobicContact CG-CG 4.16Å; F144-E146 HydrophobicContact CE1-CG 4.02Å; F144-E146 HydrophobicContact CZ-CG 3.67Å; E146-N154 VanDerWaalsContact O-CB 3.25Å; E146-N154 WeakPolarHBondContact O-CB 3.27Å; E146-N154 PolarHBondContact O-ND2 3.32Å
147T98.8Very high98.3Very high0 Ų047.5 Ų47.50%025%0.253CS..EExtended strand (participates in β ladder)trans-129.9154.8-174.162.80000112.3A116 G117 N118 K119 C120 V145 I153 N154 I155A116-T147 HydrophobicContact CB-CG2 4.48Å; G117-T147 PolarHBondContact O-N 3.16Å; N118-T147 CarbonylContact C-O 3.58Å; N118-T147 VanDerWaalsContact CA-O 3.25Å; N118-T147 WeakPolarHBondContact CA-O 3.48Å; N118-T147 PolarHBondContact OD1-O 3.15Å; N118-T147 PolarHBondContact OD1-OG1 3.09Å; K119-T147 PolarHBondContact N-O 3.36Å; C120-T147 PolarHBondContact N-O 2.96Å; C120-T147 PolarHBondContact SG-O 3.16Å; V145-T147 HydrophobicContact CB-CG2 4.48Å; V145-T147 HydrophobicContact CG1-CG2 3.85Å; T147-I153 VanDerWaalsContact CA-O 3.32Å; T147-I153 WeakPolarHBondContact CA-O 3.42Å; T147-N154 HydrophobicContact CG2-CB 4.28Å; T147-I155 HydrophobicContact CG2-CD1 4.43Å
148S98.8Very high98.3Very high0 Ų047.5 Ų47.50%025%0.253CS..BIsolated β-bridgetrans-131.7108.2164174.70000108.7D121 K150 N151 A152 I153D121-S148 VanDerWaalsContact CG-OG 3.27Å; D121-S148 VanDerWaalsContact OD1-CB 3.27Å; D121-S148 WeakPolarHBondContact OD1-CB 3.34Å; D121-S148 PolarHBondContact OD1-OG 3.3Å; S148-K150 PolarHBondContact O-N 3.19Å; S148-K150 PolarHBondContact OG-N 2.71Å; S148-N151 PolarHBondContact OG-N 3.4Å; S148-A152 CarbonylContact O-C 3.53Å; S148-A152 VanDerWaalsContact O-CA 3.25Å; S148-A152 WeakPolarHBondContact O-CA 3.48Å; S148-A152 PolarHBondContact O-N 2.92Å; S148-I153 PolarHBondContact N-O 2.9Å; S148-I153 PolarHBondContact O-N 3.05Å
149A98.5Very high98.3Very high2 Ų243.5 Ų43.52%0.01723%0.231CC..THydrogen-bonded Turntrans-61.5-32.4171.500000111.9I21 R24 F30 N118 I155I21-A149 HydrophobicContact CG1-CB 4.22Å; R24-A149 HydrophobicContact CB-CB 4.46Å; R24-A149 PolarHBondContact NE-O 3.25Å; F30-A149 HydrophobicContact CD2-CB 4.16Å; F30-A149 HydrophobicContact CE2-CB 4.37Å; N118-A149 PolarHBondContact OD1-N 2.99Å; A149-I155 HydrophobicContact CB-CD1 4.37Å
150K98.3Very high98.2Very high105 Ų10541.7 Ų41.746%0.45722%0.217SC..THydrogen-bonded Turntrans-65.5-52.8179.3-175.6-175.2175.5-173.80111.4R24 F30 D121 S148R24-K150 PolarHBondContact NH2-O 3.03Å; F30-K150 HydrophobicContact CD1-CB 4.37Å; F30-K150 HydrophobicContact CD1-CG 4.16Å; F30-K150 HydrophobicContact CD2-CB 4.3Å; F30-K150 HydrophobicContact CE1-CB 4.07Å; F30-K150 HydrophobicContact CE1-CG 3.82Å; F30-K150 HydrophobicContact CE2-CB 3.99Å; F30-K150 HydrophobicContact CG-CB 4.48Å; F30-K150 HydrophobicContact CZ-CB 3.87Å; F30-K150 HydrophobicContact CZ-CG 4.09Å; D121-K150 WeakPolarHBondContact OD2-CD 3.46Å; D121-K150 IonicContact OD2-NZ 2.69Å; S148-K150 PolarHBondContact O-N 3.19Å; S148-K150 PolarHBondContact OG-N 2.71Å
151N98.3Very high98.2Very high92 Ų9242.6 Ų42.649%0.49222%0.22SC..THydrogen-bonded Turntrans-96.39.3-175.5-66.8-3.4000113.5D121 S148 I153D121-N151 VanDerWaalsContact CB-ND2 3.33Å; D121-N151 WeakPolarHBondContact CB-ND2 3.25Å; S148-N151 PolarHBondContact OG-N 3.4Å; N151-I153 HydrophobicContact CB-CD1 3.92Å; N151-I153 HydrophobicContact CB-CG1 3.91Å; N151-I153 PolarHBondContact O-N 3.03Å
152A98.3Very high98.2Very high45 Ų4535.4 Ų35.437%0.37219%0.187SC..THydrogen-bonded Turntrans57.225-176.900000115R24 S148 N154R24-A152 HydrophobicContact CG-CB 4.24Å; S148-A152 CarbonylContact O-C 3.53Å; S148-A152 VanDerWaalsContact O-CA 3.25Å; S148-A152 WeakPolarHBondContact O-CA 3.48Å; S148-A152 PolarHBondContact O-N 2.92Å; A152-N154 PolarHBondContact O-N 3.03Å
153I98.7Very high98.1Very high64 Ų6435.2 Ų35.233%0.32819%0.185SC..BIsolated β-bridgetrans-75.4125.2-177.8-58.9171.8000109.6T147 S148 N151 I155T147-I153 VanDerWaalsContact CA-O 3.32Å; T147-I153 WeakPolarHBondContact CA-O 3.42Å; S148-I153 PolarHBondContact N-O 2.9Å; S148-I153 PolarHBondContact O-N 3.05Å; N151-I153 HydrophobicContact CB-CD1 3.92Å; N151-I153 HydrophobicContact CB-CG1 3.91Å; N151-I153 PolarHBondContact O-N 3.03Å; I153-I155 PolarHBondContact O-N 3.17Å
154N98.5Very high97.9Very high78 Ų7839 Ų3942%0.41720%0.2SC..THydrogen-bonded Turntrans53.717.5175.1-59.6-26.5000116V145 E146 T147 A152 E157 V158V145-N154 HydrophobicContact CG1-CB 3.5Å; V145-N154 VanDerWaalsContact CG1-CB 3.5Å; E146-N154 VanDerWaalsContact O-CB 3.25Å; E146-N154 WeakPolarHBondContact O-CB 3.27Å; E146-N154 PolarHBondContact O-ND2 3.32Å; T147-N154 HydrophobicContact CG2-CB 4.28Å; A152-N154 PolarHBondContact O-N 3.03Å; N154-E157 HydrophobicContact CB-CB 4.08Å; N154-E157 PolarHBondContact O-N 2.67Å; N154-V158 PolarHBondContact O-N 2.62Å
155I98.6Very high97.6Very high2 Ų244.8 Ų44.81%0.0122%0.221CC..Hα-helixtrans-66.1-43.3-179.5-61.4-68.2000110.9I21 R24 F25 T147 A149 I153 E157 V158 F159I21-I155 HydrophobicContact CB-CD1 4.35Å; I21-I155 HydrophobicContact CG1-CD1 3.93Å; I21-I155 HydrophobicContact CG2-CD1 4.17Å; R24-I155 HydrophobicContact CB-CG1 4.46Å; R24-I155 HydrophobicContact CB-CG2 4.26Å; R24-I155 HydrophobicContact CG-CB 4.13Å; R24-I155 HydrophobicContact CG-CD1 4.45Å; R24-I155 HydrophobicContact CG-CG1 3.73Å; R24-I155 HydrophobicContact CG-CG2 3.94Å; F25-I155 HydrophobicContact CB-CG2 3.72Å; F25-I155 HydrophobicContact CD2-CG2 4.4Å; T147-I155 HydrophobicContact CG2-CD1 4.43Å; A149-I155 HydrophobicContact CB-CD1 4.37Å; I153-I155 PolarHBondContact O-N 3.17Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-V158 WeakPolarHBondContact O-CG1 2.84Å; I155-F159 WeakPolarHBondContact O-CD2 3.16Å
156N97.4Very high97.1Very high88 Ų8844.9 Ų44.947%0.47122%0.221SC..Hα-helixtrans-71.3-33.1174.3-66.3-66.7000111.7F25 V158 F159 V160F25-N156 WeakPolarHBondContact CD2-OD1 3.48Å; F25-N156 WeakPolarHBondContact CE2-OD1 3.46Å; N156-V158 PolarHBondContact O-N 3.33Å; N156-F159 PolarHBondContact O-N 2.85Å; N156-V160 WeakPolarHBondContact O-CG2 3.44Å; N156-V160 PolarHBondContact O-N 3.35Å
157E97.9Very high96.2Very high75 Ų7548.6 Ų48.635%0.3525%0.247SC..Hα-helixtrans-60.9-44.3-175.5-16960.3-156.500111.8N154 I155 F159 V160 E161 K164N154-E157 HydrophobicContact CB-CB 4.08Å; N154-E157 PolarHBondContact O-N 2.67Å; I155-E157 VanDerWaalsContact C-N 3.34Å; E157-F159 VanDerWaalsContact C-N 3.28Å; E157-F159 PolarHBondContact O-N 2.97Å; E157-V160 PolarHBondContact O-N 2.79Å; E157-V160 VanDerWaalsContact O-N 3.09Å; E157-E161 HydrophobicContact CG-CG 4.37Å; E157-E161 WeakPolarHBondContact O-CG 3.07Å; E157-E161 PolarHBondContact O-N 2.78Å; E157-K164 IonicContact OE1-NZ 3.56Å
158V98.3Very high95Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-60.2-3617966.60000112.9I82 A114 V145 N154 I155 N156 I162I82-V158 HydrophobicContact CD1-CG2 4.39Å; I82-V158 HydrophobicContact CG1-CG2 4.49Å; I82-V158 HydrophobicContact CG2-CG2 4.38Å; A114-V158 HydrophobicContact CB-CG2 4.11Å; V145-V158 HydrophobicContact CB-CB 4.25Å; V145-V158 HydrophobicContact CB-CG2 4.48Å; V145-V158 HydrophobicContact CG1-CB 4.37Å; V145-V158 HydrophobicContact CG2-CB 4.22Å; V145-V158 HydrophobicContact CG2-CG2 4.41Å; N154-V158 PolarHBondContact O-N 2.62Å; I155-V158 WeakPolarHBondContact O-CG1 2.84Å; N156-V158 PolarHBondContact O-N 3.33Å; V158-I162 WeakPolarHBondContact O-CD1 3.12Å; V158-I162 WeakPolarHBondContact O-CG1 3.3Å; V158-I162 PolarHBondContact O-N 3.13Å
159F97.9Very high93.3Very high2 Ų256 Ų561%0.00930%0.299CS..Hα-helixtrans-77.2-31.8176.1-67.4-88.9000112.4I21 F25 F56 I58 I82 I155 N156 E157 I162 S163I21-F159 HydrophobicContact CG2-CE2 4.3Å; F25-F159 HydrophobicContact CB-CD2 4.33Å; F25-F159 HydrophobicContact CB-CE2 3.71Å; F25-F159 HydrophobicContact CB-CZ 4.21Å; F25-F159 HydrophobicContact CD1-CD1 4.13Å; F25-F159 AromaticContact CD1-CD2 3.87Å; F25-F159 HydrophobicContact CD1-CD2 3.87Å; F25-F159 AromaticContact CD1-CE1 3.89Å; F25-F159 HydrophobicContact CD1-CE1 3.89Å; F25-F159 AromaticContact CD1-CE2 3.65Å; F25-F159 HydrophobicContact CD1-CE2 3.65Å; F25-F159 HydrophobicContact CD1-CG 4.12Å; F25-F159 AromaticContact CD1-CZ 3.65Å; F25-F159 HydrophobicContact CD1-CZ 3.65Å; F25-F159 AromaticContact CD2-CD2 3.55Å; F25-F159 HydrophobicContact CD2-CD2 3.55Å; F25-F159 AromaticContact CD2-CE2 3.84Å; F25-F159 HydrophobicContact CD2-CE2 3.84Å; F25-F159 HydrophobicContact CD2-CG 4.18Å; F25-F159 HydrophobicContact CE1-CB 4.4Å; F25-F159 AromaticContact CE1-CD1 3.74Å; F25-F159 HydrophobicContact CE1-CD1 3.74Å; F25-F159 AromaticContact CE1-CD2 3.97Å; F25-F159 HydrophobicContact CE1-CD2 3.97Å; F25-F159 AromaticContact CE1-CE1 3.92Å; F25-F159 HydrophobicContact CE1-CE1 3.92Å; F25-F159 HydrophobicContact CE1-CE2 4.17Å; F25-F159 AromaticContact CE1-CG 3.77Å; F25-F159 HydrophobicContact CE1-CG 3.77Å; F25-F159 HydrophobicContact CE1-CZ 4.14Å; F25-F159 HydrophobicContact CE2-CB 3.95Å; F25-F159 AromaticContact CE2-CD2 3.68Å; F25-F159 HydrophobicContact CE2-CD2 3.68Å; F25-F159 HydrophobicContact CE2-CE2 4.36Å; F25-F159 AromaticContact CE2-CG 3.85Å; F25-F159 HydrophobicContact CE2-CG 3.85Å; F25-F159 AromaticContact CG-CD2 3.65Å; F25-F159 HydrophobicContact CG-CD2 3.65Å; F25-F159 AromaticContact CG-CE2 3.45Å; F25-F159 HydrophobicContact CG-CE2 3.45Å; F25-F159 VanDerWaalsContact CG-CE2 3.45Å; F25-F159 HydrophobicContact CG-CG 4.3Å; F25-F159 AromaticContact CG-CZ 3.94Å; F25-F159 HydrophobicContact CG-CZ 3.94Å; F25-F159 HydrophobicContact CZ-CB 3.79Å; F25-F159 HydrophobicContact CZ-CD1 4.02Å; F25-F159 AromaticContact CZ-CD2 3.88Å; F25-F159 HydrophobicContact CZ-CD2 3.88Å; F25-F159 HydrophobicContact CZ-CE2 4.5Å; F25-F159 AromaticContact CZ-CG 3.63Å; F25-F159 HydrophobicContact CZ-CG 3.63Å; F56-F159 HydrophobicContact CD1-CD1 4.11Å; F56-F159 HydrophobicContact CD2-CD1 4.42Å; F56-F159 HydrophobicContact CE1-CD1 4.12Å; F56-F159 HydrophobicContact CE2-CB 3.99Å; F56-F159 HydrophobicContact CE2-CD1 4.41Å; F56-F159 HydrophobicContact CG-CD1 4.26Å; F56-F159 HydrophobicContact CZ-CB 3.89Å; F56-F159 HydrophobicContact CZ-CD1 4.26Å; F56-F159 WeakPolarHBondContact CZ-O 3.25Å; I58-F159 HydrophobicContact CD1-CE1 4.03Å; I58-F159 HydrophobicContact CD1-CZ 4.39Å; I58-F159 HydrophobicContact CG1-CE1 4.41Å; I82-F159 HydrophobicContact CD1-CD1 4.29Å; I82-F159 HydrophobicContact CD1-CE1 3.74Å; I82-F159 HydrophobicContact CD1-CE2 4.33Å; I82-F159 HydrophobicContact CD1-CZ 3.76Å; I155-F159 WeakPolarHBondContact O-CD2 3.16Å; N156-F159 PolarHBondContact O-N 2.85Å; E157-F159 VanDerWaalsContact C-N 3.28Å; E157-F159 PolarHBondContact O-N 2.97Å; F159-I162 PolarHBondContact O-N 2.92Å; F159-S163 PolarHBondContact O-N 3.34Å; F159-S163 PolarHBondContact O-OG 3.45Å
160V96.3Very high91Very high42 Ų4262.8 Ų62.826%0.25534%0.335SS..Hα-helixtrans-68-42.3173.4168.80000110.7Y49 N156 E157 I162 S163 K164Y49-V160 HydrophobicContact CD2-CG1 4.38Å; Y49-V160 HydrophobicContact CE2-CG1 4.28Å; N156-V160 WeakPolarHBondContact O-CG2 3.44Å; N156-V160 PolarHBondContact O-N 3.35Å; E157-V160 PolarHBondContact O-N 2.79Å; E157-V160 VanDerWaalsContact O-N 3.09Å; V160-I162 VanDerWaalsContact C-N 3.32Å; V160-I162 PolarHBondContact O-N 2.92Å; V160-S163 WeakPolarHBondContact O-CA 3.5Å; V160-S163 VanDerWaalsContact O-CB 3.27Å; V160-S163 WeakPolarHBondContact O-CB 3.26Å; V160-S163 PolarHBondContact O-N 2.81Å; V160-K164 HydrophobicContact CG1-CD 4.44Å; V160-K164 WeakPolarHBondContact O-CG 3.29Å; V160-K164 PolarHBondContact O-N 3.09Å
161E97.3Very high88.3Confident52 Ų5264.2 Ų64.224%0.24336%0.358CS..Hα-helixtrans-61.2-39.6173.8-74.7-57.6131.700112.3I143 E157 S163 K164 R165I143-E161 HydrophobicContact CD1-CB 4.11Å; I143-E161 HydrophobicContact CG1-CB 4.5Å; I143-E161 HydrophobicContact CG2-CB 3.68Å; I143-E161 HydrophobicContact CG2-CG 4.19Å; E157-E161 HydrophobicContact CG-CG 4.37Å; E157-E161 WeakPolarHBondContact O-CG 3.07Å; E157-E161 PolarHBondContact O-N 2.78Å; E161-S163 VanDerWaalsContact C-N 3.33Å; E161-S163 PolarHBondContact O-N 3.46Å; E161-K164 WeakPolarHBondContact O-CB 3.24Å; E161-K164 PolarHBondContact O-N 2.98Å; E161-K164 VanDerWaalsContact OE1-CD 3.29Å; E161-K164 WeakPolarHBondContact OE1-CD 3.2Å; E161-K164 WeakPolarHBondContact OE1-CE 3.49Å; E161-K164 IonicContact OE1-NZ 2.59Å; E161-K164 PolarHBondContact OE1-NZ 3.12Å; E161-R165 PolarHBondContact O-N 3.22Å; E161-R165 VanDerWaalsContact O-N 3.12Å
162I97.1Very high85.7Confident0 Ų064.3 Ų64.30%037%0.371CS..Hα-helixtrans-60.2-45.1170.6-73.9165.2000110.9V8 F56 A80 I82 A114 I143 V158 F159 V160 K164 R165 I166V8-I162 HydrophobicContact CG1-CD1 4.49Å; F56-I162 HydrophobicContact CE1-CG2 4.18Å; A80-I162 HydrophobicContact CB-CD1 4.13Å; A80-I162 HydrophobicContact CB-CG1 4.14Å; A80-I162 HydrophobicContact CB-CG2 3.6Å; I82-I162 HydrophobicContact CD1-CD1 3.8Å; I82-I162 HydrophobicContact CG1-CD1 3.55Å; A114-I162 HydrophobicContact CB-CD1 4.22Å; A114-I162 HydrophobicContact CB-CG1 4.26Å; I143-I162 HydrophobicContact CD1-CG1 4.18Å; V158-I162 WeakPolarHBondContact O-CD1 3.12Å; V158-I162 WeakPolarHBondContact O-CG1 3.3Å; V158-I162 PolarHBondContact O-N 3.13Å; F159-I162 PolarHBondContact O-N 2.92Å; V160-I162 VanDerWaalsContact C-N 3.32Å; V160-I162 PolarHBondContact O-N 2.92Å; I162-K164 VanDerWaalsContact C-N 3.29Å; I162-K164 PolarHBondContact O-N 2.62Å; I162-R165 PolarHBondContact O-N 2.96Å; I162-R165 VanDerWaalsContact O-N 3.13Å; I162-I166 HydrophobicContact CG2-CD1 3.46Å; I162-I166 VanDerWaalsContact CG2-CD1 3.46Å; I162-I166 HydrophobicContact CG2-CG1 4.11Å; I162-I166 VanDerWaalsContact O-CG1 3.32Å; I162-I166 WeakPolarHBondContact O-CG1 3.34Å; I162-I166 PolarHBondContact O-N 3.42Å
163S95.8Very high83Confident4 Ų466.8 Ų66.83%0.02839%0.392CS..Hα-helixtrans-60-37.8178-64.20000112.9H54 F56 F159 V160 E161H54-S163 WeakPolarHBondContact ND1-CB 3.26Å; H54-S163 PolarHBondContact ND1-OG 3.29Å; F56-S163 WeakPolarHBondContact CZ-OG 3.19Å; F159-S163 PolarHBondContact O-N 3.34Å; F159-S163 PolarHBondContact O-OG 3.45Å; V160-S163 WeakPolarHBondContact O-CA 3.5Å; V160-S163 VanDerWaalsContact O-CB 3.27Å; V160-S163 WeakPolarHBondContact O-CB 3.26Å; V160-S163 PolarHBondContact O-N 2.81Å; E161-S163 VanDerWaalsContact C-N 3.33Å; E161-S163 PolarHBondContact O-N 3.46Å
164K94.4Very high80.2Confident100 Ų10068.4 Ų68.444%0.43542%0.415SS..Hα-helixtrans-64.5-38175.1-72.6166-174.7169.40112.1Y49 E157 V160 E161 I162Y49-K164 HydrophobicContact CE2-CG 3.85Å; Y49-K164 WeakPolarHBondContact OH-CG 3.35Å; E157-K164 IonicContact OE1-NZ 3.56Å; V160-K164 HydrophobicContact CG1-CD 4.44Å; V160-K164 WeakPolarHBondContact O-CG 3.29Å; V160-K164 PolarHBondContact O-N 3.09Å; E161-K164 WeakPolarHBondContact O-CB 3.24Å; E161-K164 PolarHBondContact O-N 2.98Å; E161-K164 VanDerWaalsContact OE1-CD 3.29Å; E161-K164 WeakPolarHBondContact OE1-CD 3.2Å; E161-K164 WeakPolarHBondContact OE1-CE 3.49Å; E161-K164 IonicContact OE1-NZ 2.59Å; E161-K164 PolarHBondContact OE1-NZ 3.12Å; I162-K164 VanDerWaalsContact C-N 3.29Å; I162-K164 PolarHBondContact O-N 2.62Å
165R93.6Very high77.7Confident157 Ų15771.4 Ų71.459%0.59244%0.436SS*.Hα-helixtrans-89.3-26.2-169.4-160.165.3165.1118.2-3114.2V112 I143 E161 I162 P167V112-R165 HydrophobicContact CG1-CB 3.97Å; V112-R165 HydrophobicContact CG1-CG 3.97Å; V112-R165 HydrophobicContact CG2-CB 4.2Å; V112-R165 HydrophobicContact CG2-CG 4.05Å; I143-R165 HydrophobicContact CD1-CB 4.05Å; I143-R165 HydrophobicContact CD1-CG 4.42Å; E161-R165 PolarHBondContact O-N 3.22Å; E161-R165 VanDerWaalsContact O-N 3.12Å; I162-R165 PolarHBondContact O-N 2.96Å; I162-R165 VanDerWaalsContact O-N 3.13Å; R165-P167 WeakPolarHBondContact O-CD 3.19Å
166I88.8Confident74.9Confident13 Ų1376 Ų767%0.06747%0.468CS..SBendtrans-72.6118.4178.3-62.7170.5000108.6R4 L6 A79 A80 V112 I162 V168R4-I166 PolarHBondContact NH1-O 3.06Å; L6-I166 HydrophobicContact CD1-CD1 4.06Å; L6-I166 HydrophobicContact CD2-CD1 3.97Å; L6-I166 HydrophobicContact CD2-CG2 4.27Å; L6-I166 HydrophobicContact CG-CD1 4.42Å; A79-I166 HydrophobicContact CB-CD1 3.78Å; A79-I166 HydrophobicContact CB-CG1 4.49Å; A80-I166 HydrophobicContact CB-CD1 4.39Å; V112-I166 HydrophobicContact CB-CG1 4.39Å; V112-I166 HydrophobicContact CG2-CG1 3.77Å; I162-I166 HydrophobicContact CG2-CD1 3.46Å; I162-I166 VanDerWaalsContact CG2-CD1 3.46Å; I162-I166 HydrophobicContact CG2-CG1 4.11Å; I162-I166 VanDerWaalsContact O-CG1 3.32Å; I162-I166 WeakPolarHBondContact O-CG1 3.34Å; I162-I166 PolarHBondContact O-N 3.42Å; I166-V168 PolarHBondContact O-N 2.92Å
167P79.4Confident72.1Confident100 Ų10075.6 Ų75.665%0.64949%0.485SS*.PPolyproline II helixtrans-53.3137.3-177.7-22.831.1000111.2R4 R165 A169R4-P167 VanDerWaalsContact CZ-O 3.24Å; R4-P167 PolarHBondContact NH1-O 2.98Å; R4-P167 VanDerWaalsContact NH1-O 3.15Å; R4-P167 PolarHBondContact NH2-O 3.09Å; R165-P167 WeakPolarHBondContact O-CD 3.19Å; P167-A169 PolarHBondContact O-N 3.02Å
168V72.4Confident69.3Low93 Ų9380.4 Ų80.456%0.56451%0.505SS*.PPolyproline II helixtrans-57.5129.4172.5-1760000107.6I166 D170I166-V168 PolarHBondContact O-N 2.92Å; V168-D170 PolarHBondContact O-N 3.34Å
169A63.2Low66.4Low63 Ų6385.6 Ų85.652%0.52154%0.541SS..  trans-68.3110.5174.100000107P167 S171P167-A169 PolarHBondContact O-N 3.02Å; A169-S171 PolarHBondContact O-N 2.92Å
170D49.7Very low63.6Low144 Ų14494.8 Ų94.877%0.7758%0.581SS**  trans-51.6129.5164.5-74.6-32000107V168 A172V168-D170 PolarHBondContact O-N 3.34Å; D170-A172 PolarHBondContact O-N 3.43Å
171S43Very low60.9Low135 Ų135102.1 Ų102.194%0.94461%0.61SS**SBendtrans-67.531.9-173.8-64.80000113.9A169A169-S171 PolarHBondContact O-N 2.92Å
172A42.8Very low58.3Low93 Ų93107.7 Ų107.777%0.76964%0.64SS**  trans-129.924.5-167.700000114.9D170D170-A172 PolarHBondContact O-N 3.43Å
173A41.2Very low55.4Low97 Ų97111 Ų11180%0.80267%0.674SS**  trans-126.619.3174.100000114.9T175A173-T175 VanDerWaalsContact C-N 3.31Å; A173-T175 PolarHBondContact O-N 3.01Å
174A41.6Very low52.7Low99 Ų99121.9 Ų121.982%0.81871%0.714SS**  trans-8962.1169.400000111.2
175T45.8Very low50.3Low141 Ų141126.3 Ų126.387%0.86574%0.737SS**  trans-151.485.4161.1-43.80000111.3A173A173-T175 VanDerWaalsContact C-N 3.31Å; A173-T175 PolarHBondContact O-N 3.01Å
176S39Very low47.7Very low98 Ų98124.1 Ų124.169%0.68574%0.741SS**  trans-166.369.1143.2-162.90000109.8K178S176-K178 VanDerWaalsContact C-N 3.27Å; S176-K178 PolarHBondContact O-N 3.34Å
177G38.9Very low45.5Very low79 Ų79129.1 Ų129.181%0.81478%0.776SS**  trans-6889.4159.900000109.1S179G177-S179 VanDerWaalsContact C-N 3.31Å; G177-S179 PolarHBondContact O-N 2.79Å
178K39Very low43.7Very low177 Ų177131.5 Ų131.577%0.7778%0.779SS**  trans-81.286.6160.1-82.2-176.6175.2176.60107.9S176 F180S176-K178 VanDerWaalsContact C-N 3.27Å; S176-K178 PolarHBondContact O-N 3.34Å; K178-F180 PolarHBondContact O-N 3.06Å; K178-F180 VanDerWaalsContact O-N 3.08Å
179S37.8Very low42.4Very low108 Ų108132.6 Ų132.676%0.75579%0.791SS**  trans-54.9110.9161.5-71.40000108.9G177 K181G177-S179 VanDerWaalsContact C-N 3.31Å; G177-S179 PolarHBondContact O-N 2.79Å; S179-K181 PolarHBondContact O-N 3.4Å; S179-K181 VanDerWaalsContact O-N 3.08Å
180F38.5Very low41.5Very low196 Ų196140 Ų14086%0.8681%0.805SS**  trans-67.4101161.3-93.1-96.5000107.9K178 L182K178-F180 PolarHBondContact O-N 3.06Å; K178-F180 VanDerWaalsContact O-N 3.08Å; F180-L182 PolarHBondContact O-N 2.82Å
181K39.5Very low41.7Very low196 Ų196144.4 Ų144.485%0.85281%0.811SS**  trans-78106.5165.6-76.3-174.8175.9-1790107.9S179 G183S179-K181 PolarHBondContact O-N 3.4Å; S179-K181 VanDerWaalsContact O-N 3.08Å; K181-G183 PolarHBondContact O-N 3.26Å
182L42.1Very low42Very low168 Ų168145 Ų14588%0.8881%0.81SS**  trans-67.6100.4164.4-11686.8000108F180 R184F180-L182 PolarHBondContact O-N 2.82Å; L182-R184 PolarHBondContact O-N 3.48Å; L182-R184 VanDerWaalsContact O-N 3.16Å
183G37.1Very low42.1Very low69 Ų69146.4 Ų146.471%0.71181%0.812SS**  trans-68.6104.7167.500000109.4K181 Q185K181-G183 PolarHBondContact O-N 3.26Å; G183-Q185 PolarHBondContact O-N 3.4Å; G183-Q185 VanDerWaalsContact O-N 3.09Å
184R39.2Very low42.4Very low233 Ų233151.6 Ų151.688%0.87984%0.84SS**  trans-69.598.3169.4-171.2176.4-179.8174.9-0.6107.8L182 V186L182-R184 PolarHBondContact O-N 3.48Å; L182-R184 VanDerWaalsContact O-N 3.16Å; R184-V186 PolarHBondContact O-N 3.15Å; R184-V186 VanDerWaalsContact O-N 3.12Å
185Q42.7Very low42.4Very low194 Ų194154.3 Ų154.391%0.90784%0.841SS**  trans-68.5106.1168-85.4-173.4-31.300108.5G183 S187G183-Q185 PolarHBondContact O-N 3.4Å; G183-Q185 VanDerWaalsContact O-N 3.09Å; Q185-S187 PolarHBondContact O-N 3.15Å
186V40.8Very low42.2Very low111 Ų111154.9 Ų154.967%0.67384%0.84SS**  trans-79.3110.4163.5179.10000106.1R184 E188R184-V186 PolarHBondContact O-N 3.15Å; R184-V186 VanDerWaalsContact O-N 3.12Å; V186-E188 PolarHBondContact O-N 3.18Å; V186-E188 VanDerWaalsContact O-N 3.15Å
187S41Very low42.4Very low117 Ų117158.1 Ų158.182%0.81885%0.849SS**  trans-7497.417157.10000109Q185 S189Q185-S187 PolarHBondContact O-N 3.15Å; S187-S189 PolarHBondContact O-N 3.02Å
188E43.4Very low42.6Very low150 Ų150162.8 Ų162.870%0.70185%0.851SS**  trans-75.9117164.6-78-170.1154.100109.4V186 R190V186-E188 PolarHBondContact O-N 3.18Å; V186-E188 VanDerWaalsContact O-N 3.15Å; E188-R190 PolarHBondContact O-N 3.49Å
189S44.6Very low42.8Very low117 Ų117161.9 Ų161.982%0.81886%0.856SS**  trans-71.8117.5165.869.90000109.2S187S187-S189 PolarHBondContact O-N 3.02Å
190R44.8Very low43.2Very low218 Ų218165.5 Ų165.582%0.82386%0.863SS**  trans-125.1118.5158.7-78-172.7-171.6-178.85.2110.2E188E188-R190 PolarHBondContact O-N 3.49Å
191R53.8Low43.5Very low237 Ų237163.3 Ų163.389%0.89486%0.863SS**  trans-61.2147.9166.1-61.5170.8174168.6-3.4109.8
192T49.3Very low43.8Very low148 Ų148160.8 Ų160.891%0.90886%0.864SS**  -168.6148.2126.520.40000112.4
193C45.1Very low43.9Very low122 Ų122160.2 Ų160.282%0.82486%0.862SS**  trans-55.1152.7-178.5-54.30000116
194C45.6Very low44.6Very low206 Ų206168.5 Ų168.5100%1.39288%0.876SS**  -1570105.2-100.80000108.6

Retrieved 194 of 194 residues in 110 ms (Link to these results)

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