A0A087XM77_POEFO Loading...

YEATS domain-containing protein 4

Chromatin reader component of the NuA4 histone acetyltransferase (HAT) complex, a complex involved in transcriptional activation of select genes principally by acetylation of nucleosomal histones H4 and H2A. Specifically recognizes and binds acylated histone H3, with a preference for histone H3 diacetylated at 'Lys-18' and 'Lys-27' (H3K18ac and H3K27ac) or histone H3 diacetylated at 'Lys-14' and 'Lys-27' (H3K14ac and H3K27ac). Also able to recognize and bind crotonylated histone H3. May also recognize and bind histone H3 succinylated at 'Lys-122' (H3K122succ); additional evidences are however required to confirm this result in vivo. Plays a key role in histone variant H2AZ1/H2A.Z deposition into specific chromatin regions: recognizes and binds H3K14ac and H3K27ac on the promoters of actively transcribed genes and recruits NuA4-related complex to deposit H2AZ1/H2A.Z. H2AZ1/H2A.Z deposition is required for maintenance of embryonic stem cell.

AlphaFold DB (A0A3B3TUR2), UniProt , Accession A0A087XM77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M42.5Very low64.2Low238 Ų238119.6 Ų119.6100%1.17262%0.622SS**  0118.70-116173.1178.500107.1K3M1-K3 PolarHBondContact O-N 3.43Å
2F51.5Low66.2Low138 Ų138110.3 Ų110.361%0.60558%0.575SS**  trans-79.4114.4174.7-75.8-91.4000108.5T156F2-T156 HydrophobicContact CE1-CG2 3.32Å; F2-T156 HydrophobicContact CZ-CG2 3.43Å; F2-T156 VanDerWaalsContact CZ-CG2 3.43Å
3K55.2Low67.8Low115 Ų115105.2 Ų105.250%0.557%0.566SS.*  trans-67.7130.2171.9-69.8-160.2170.3179.40109.7M1 E7 F8M1-K3 PolarHBondContact O-N 3.43Å; K3-E7 WeakPolarHBondContact CA-OE2 3.41Å; K3-E7 HydrophobicContact CB-CB 4.24Å; K3-E7 WeakPolarHBondContact CB-OE2 3.46Å; K3-E7 HydrophobicContact CD-CB 4.4Å; K3-E7 WeakPolarHBondContact CD-OE2 3.47Å; K3-E7 WeakPolarHBondContact CG-OE2 3.46Å; K3-F8 HydrophobicContact CB-CE2 3.63Å; K3-F8 HydrophobicContact CB-CZ 3.81Å; K3-F8 HydrophobicContact CD-CZ 4.29Å
4K56.4Low69.4Low154 Ų15499.9 Ų99.967%0.6755%0.548SS*.  trans-68.8153.9176-72.9-179176.6177.80110.2T6 E7K4-T6 PolarHBondContact O-N 3.33Å; K4-E7 PolarHBondContact N-OE1 3.48Å; K4-E7 VanDerWaalsContact N-OE1 3.09Å; K4-E7 WeakPolarHBondContact O-CB 3.35Å; K4-E7 PolarHBondContact O-N 3.43Å
5M56.8Low71.1Confident132 Ų132101.6 Ų101.665%0.6554%0.543SS*.G310 helixtrans-49.5-31178-78.2179.264.200113.5E7 I105 M149M5-E7 PolarHBondContact O-N 3.16Å; M5-I105 HydrophobicContact CE-CG2 4.44Å; M5-M149 HydrophobicContact CE-CE 4.04Å; M5-M149 HydrophobicContact CG-CE 3.81Å; M5-M149 HydrophobicContact SD-CE 4.31Å
6T59.4Low72.5Confident125 Ų12598 Ų9877%0.76753%0.526SS*.G310 helixtrans-69.7-13.7178.751.70000114.5K4K4-T6 PolarHBondContact O-N 3.33Å
7E72.3Confident73.9Confident104 Ų104103.2 Ų103.249%0.48654%0.543SS..G310 helixtrans-89.3-11.8-175.8-66.7174.4-142.700114K3 K4 M5K3-E7 WeakPolarHBondContact CA-OE2 3.41Å; K3-E7 HydrophobicContact CB-CB 4.24Å; K3-E7 WeakPolarHBondContact CB-OE2 3.46Å; K3-E7 HydrophobicContact CD-CB 4.4Å; K3-E7 WeakPolarHBondContact CD-OE2 3.47Å; K3-E7 WeakPolarHBondContact CG-OE2 3.46Å; K4-E7 PolarHBondContact N-OE1 3.48Å; K4-E7 VanDerWaalsContact N-OE1 3.09Å; K4-E7 WeakPolarHBondContact O-CB 3.35Å; K4-E7 PolarHBondContact O-N 3.43Å; M5-E7 PolarHBondContact O-N 3.16Å
8F76.3Confident75Confident28 Ų28101.6 Ų101.612%0.12355%0.554CS.*SBendtrans-91.5-9.5-176.3-71.3-83.3000113.9K3 G13 A148 M149K3-F8 HydrophobicContact CB-CE2 3.63Å; K3-F8 HydrophobicContact CB-CZ 3.81Å; K3-F8 HydrophobicContact CD-CZ 4.29Å; F8-G13 PolarHBondContact O-N 2.94Å; F8-A148 HydrophobicContact CD1-CB 4.42Å; F8-A148 HydrophobicContact CE1-CB 4.24Å; F8-M149 HydrophobicContact CB-CB 4.29Å; F8-M149 HydrophobicContact CD1-CB 3.85Å; F8-M149 HydrophobicContact CD2-CB 4.02Å; F8-M149 HydrophobicContact CD2-CG 4.03Å; F8-M149 HydrophobicContact CD2-SD 4.36Å; F8-M149 HydrophobicContact CE1-CB 4.13Å; F8-M149 HydrophobicContact CE2-CB 4.29Å; F8-M149 HydrophobicContact CE2-CG 4.23Å; F8-M149 HydrophobicContact CG-CB 3.79Å; F8-M149 HydrophobicContact CG-CG 4.28Å; F8-M149 HydrophobicContact CZ-CB 4.34Å
9G77.4Confident76.2Confident46 Ų4698.1 Ų98.147%0.47454%0.536SS..THydrogen-bonded Turntrans67.6-175.4-17700000113.5D11 S12G9-D11 VanDerWaalsContact C-N 3.27Å; G9-D11 PolarHBondContact O-N 2.89Å; G9-S12 PolarHBondContact O-N 3.03Å
10P77.4Confident77.2Confident119 Ų11996.7 Ų96.777%0.77353%0.531SS*.THydrogen-bonded Turntrans-65.5-28-17525.9-34000113.6S12P10-S12 VanDerWaalsContact C-N 3.29Å; P10-S12 PolarHBondContact O-N 3.39Å
11D81.2Confident78.1Confident117 Ų11793.3 Ų93.363%0.62651%0.512SS*.THydrogen-bonded Turntrans-90.613.7-178.6-60.7-24.9000113.1G9 G13 G14G9-D11 VanDerWaalsContact C-N 3.27Å; G9-D11 PolarHBondContact O-N 2.89Å; D11-G13 PolarHBondContact O-N 3.04Å; D11-G13 VanDerWaalsContact O-N 3.07Å; D11-G14 PolarHBondContact O-N 3.15Å
12S88Confident80.8Confident8 Ų884.9 Ų84.96%0.05647%0.474CS..THydrogen-bonded Turntrans5430.9-179.5-62.30000113.7G9 P10 D106 N108 A148 M149G9-S12 PolarHBondContact O-N 3.03Å; P10-S12 VanDerWaalsContact C-N 3.29Å; P10-S12 PolarHBondContact O-N 3.39Å; S12-D106 WeakPolarHBondContact CB-OD2 3.5Å; S12-D106 VanDerWaalsContact OG-CG 3.3Å; S12-D106 PolarHBondContact OG-OD1 3.34Å; S12-D106 PolarHBondContact OG-OD2 3.35Å; S12-N108 PolarHBondContact OG-ND2 3.29Å; S12-A148 PolarHBondContact O-N 2.61Å; S12-M149 WeakPolarHBondContact O-CB 3.33Å; S12-M149 PolarHBondContact O-N 2.94Å
13G86.4Confident82.9Confident44 Ų4479.3 Ų79.345%0.45445%0.45SS..THydrogen-bonded Turntrans7911.7-177.500000115.2F8 D11F8-G13 PolarHBondContact O-N 2.94Å; D11-G13 PolarHBondContact O-N 3.04Å; D11-G13 VanDerWaalsContact O-N 3.07Å
14G91.3Very high84.9Confident31 Ų3174.6 Ų74.632%0.3243%0.431SS..  trans76.3161.9179.900000113.6D11 T147 A148D11-G14 PolarHBondContact O-N 3.15Å; G14-T147 CarbonylContact O-C 3.49Å; G14-T147 VanDerWaalsContact O-CA 3.24Å; G14-T147 WeakPolarHBondContact O-CA 3.4Å; G14-A148 PolarHBondContact O-N 2.81Å
15R94.1Very high86.9Confident125 Ų12567.3 Ų67.347%0.47240%0.399SS..BIsolated β-bridgetrans-76.9132.2178.4-71.5-168.8174.3-82.6-4.3111.7K17 N108 E109 D145R15-K17 PolarHBondContact O-N 3.38Å; R15-N108 PolarHBondContact NH2-O 3.23Å; R15-N108 VanDerWaalsContact NH2-O 3.14Å; R15-E109 IonicContact NH1-OE1 3.34Å; R15-E109 PolarHBondContact NH1-OE1 3.19Å; R15-E109 IonicContact NH1-OE2 3.42Å; R15-E109 IonicContact NH2-OE2 3.27Å; R15-D145 HydrophobicContact CB-CB 4.46Å; R15-D145 WeakPolarHBondContact CB-O 3.43Å; R15-D145 WeakPolarHBondContact CD-O 3.34Å; R15-D145 WeakPolarHBondContact CG-O 3.29Å; R15-D145 PolarHBondContact NH1-O 3.36Å
16V94.4Very high88.8Confident44 Ų4461 Ų6127%0.26737%0.368SS..  trans-90.7100.2179.8-172.90000109.2V19 D145 P146 A148V16-V19 HydrophobicContact CB-CG2 4.4Å; V16-V19 HydrophobicContact CG1-CB 4.37Å; V16-V19 HydrophobicContact CG1-CG2 3.65Å; V16-D145 WeakPolarHBondContact O-CA 3.49Å; V16-P146 PolarHBondContact N-O 2.77Å; V16-A148 HydrophobicContact CG2-CB 4.03Å
17K95.1Very high90.7Very high187 Ų18755.8 Ų55.881%0.81334%0.335SS*.THydrogen-bonded Turntrans-65.6142.5-174.7-65.2-172.9178.9-177.30112.9R15 V19 D145R15-K17 PolarHBondContact O-N 3.38Å; K17-V19 VanDerWaalsContact C-N 3.28Å; K17-D145 WeakPolarHBondContact CA-OD1 3.48Å
18G94.6Very high91.9Very high73 Ų7350.8 Ų50.875%0.75331%0.311SS*.THydrogen-bonded Turntrans78.510.417700000113.7D145G18-D145 PolarHBondContact N-OD1 3.2Å
19V96.4Very high93Very high35 Ų3549.5 Ų49.521%0.21231%0.306CS..  trans-108124179.3175.70000109.2V16 K17 I21 D145 P146V16-V19 HydrophobicContact CB-CG2 4.4Å; V16-V19 HydrophobicContact CG1-CB 4.37Å; V16-V19 HydrophobicContact CG1-CG2 3.65Å; K17-V19 VanDerWaalsContact C-N 3.28Å; V19-I21 HydrophobicContact CG1-CD1 4.31Å; V19-I21 HydrophobicContact CG1-CG1 4.04Å; V19-D145 PolarHBondContact N-OD1 3.38Å; V19-D145 WeakPolarHBondContact O-CA 3.24Å; V19-D145 PolarHBondContact O-N 2.78Å; V19-P146 HydrophobicContact CG1-CG 4.21Å; V19-P146 VanDerWaalsContact O-CD 3.28Å; V19-P146 WeakPolarHBondContact O-CD 3.33Å
20T97.4Very high93.9Very high71 Ų7148.7 Ų48.744%0.43629%0.292SS..EExtended strand (participates in β ladder)trans-119.2123.3170.3-58.10000108.7V22 I142 F143T20-V22 HydrophobicContact CG2-CG2 4.41Å; T20-I142 HydrophobicContact CG2-CG2 3.79Å; T20-F143 WeakPolarHBondContact CA-O 3.26Å
21I96.8Very high94.9Very high26 Ų2643.2 Ų43.213%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-113.8131.2173.5-61.3174.3000108.7V19 F143 P146 Q151 L154 T155V19-I21 HydrophobicContact CG1-CD1 4.31Å; V19-I21 HydrophobicContact CG1-CG1 4.04Å; I21-F143 HydrophobicContact CB-CB 4.43Å; I21-F143 PolarHBondContact N-O 2.95Å; I21-F143 PolarHBondContact O-N 3.17Å; I21-P146 HydrophobicContact CD1-CG 4.3Å; I21-Q151 HydrophobicContact CD1-CB 4.48Å; I21-Q151 HydrophobicContact CD1-CG 3.83Å; I21-L154 HydrophobicContact CB-CD1 4.13Å; I21-L154 HydrophobicContact CD1-CB 4.05Å; I21-L154 HydrophobicContact CD1-CD1 4.05Å; I21-L154 HydrophobicContact CG2-CB 4.07Å; I21-L154 HydrophobicContact CG2-CD1 4.12Å; I21-T155 HydrophobicContact CD1-CG2 3.93Å
22V97.3Very high95.5Very high61 Ų6144.5 Ų44.537%0.3725%0.252SS..EExtended strand (participates in β ladder)trans-109.8128.1179.7-178.80000109.5T20 E140 I142T20-V22 HydrophobicContact CG2-CG2 4.41Å; V22-E140 HydrophobicContact CG1-CB 3.83Å; V22-E140 HydrophobicContact CG1-CG 3.87Å; V22-I142 HydrophobicContact CB-CD1 4.27Å; V22-I142 HydrophobicContact CG1-CD1 3.86Å; V22-I142 HydrophobicContact CG2-CD1 3.7Å
23K97.4Very high95.8Very high21 Ų2149.5 Ų49.59%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-116.497.7173.9-68.5-60.9-167.7175.20110.1E57 Y62 M141 F143 L154K23-E57 WeakPolarHBondContact CD-OE1 3.38Å; K23-E57 IonicContact NZ-OE1 3.62Å; K23-E57 IonicContact NZ-OE2 3.68Å; K23-E57 PolarHBondContact NZ-OE2 2.91Å; K23-Y62 HydrophobicContact CD-CE1 4.41Å; K23-Y62 HydrophobicContact CG-CE2 4.37Å; K23-M141 HydrophobicContact CB-CB 4.25Å; K23-M141 HydrophobicContact CB-CE 3.74Å; K23-M141 PolarHBondContact N-O 2.73Å; K23-M141 PolarHBondContact O-N 3.04Å; K23-F143 HydrophobicContact CB-CE2 4.07Å; K23-F143 HydrophobicContact CG-CD2 4.31Å; K23-F143 HydrophobicContact CG-CE2 3.8Å; K23-L154 HydrophobicContact CD-CD2 4.26Å; K23-L154 WeakPolarHBondContact CE-O 3.42Å; K23-L154 HydrophobicContact CG-CD2 3.64Å; K23-L154 PolarHBondContact NZ-O 3.46Å
24P96.9Very high96.1Very high15 Ų1550.6 Ų50.610%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-71137.1178.930.9-35.4000110.5Y54 Y138 D139 E140P24-Y54 HydrophobicContact CB-CD1 4.39Å; P24-Y54 HydrophobicContact CB-CG 4.3Å; P24-Y54 HydrophobicContact CG-CD1 4.31Å; P24-Y54 WeakPolarHBondContact O-CB 3.19Å; P24-Y54 PolarHBondContact O-N 3.42Å; P24-Y138 HydrophobicContact CB-CE2 3.67Å; P24-Y138 VanDerWaalsContact CB-OH 3.27Å; P24-Y138 WeakPolarHBondContact CB-OH 3.28Å; P24-D139 CarbonylContact C-O 3.58Å; P24-D139 WeakPolarHBondContact CA-O 3.09Å; P24-E140 HydrophobicContact CB-CG 4.34Å
25I97.5Very high96.1Very high1 Ų151.7 Ų51.71%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-131.8157.9-177.657.1168.7000110.5V51 K52 M59 I102 L114 D139 M141I25-V51 HydrophobicContact CB-CG1 4.5Å; I25-V51 HydrophobicContact CD1-CG1 4.38Å; I25-K52 CarbonylContact C-O 3.55Å; I25-K52 WeakPolarHBondContact CA-O 3.48Å; I25-M59 HydrophobicContact CG2-CE 4.01Å; I25-M59 HydrophobicContact CG2-SD 4.42Å; I25-I102 HydrophobicContact CD1-CD1 4.05Å; I25-L114 HydrophobicContact CD1-CD1 3.81Å; I25-D139 HydrophobicContact CD1-CB 4.45Å; I25-D139 HydrophobicContact CG1-CB 4.1Å; I25-D139 WeakPolarHBondContact CG1-O 3.47Å; I25-D139 PolarHBondContact N-O 3.44Å; I25-D139 PolarHBondContact O-N 2.97Å; I25-M141 HydrophobicContact CD1-CG 4Å; I25-M141 HydrophobicContact CD1-SD 4.33Å; I25-M141 HydrophobicContact CG1-CG 4.49Å; I25-M141 HydrophobicContact CG2-CE 3.63Å; I25-M141 HydrophobicContact CG2-SD 4.38Å
26V97.8Very high96Very high0 Ų052.8 Ų52.80%028%0.282CS..EExtended strand (participates in β ladder)trans-119.9128.4168.5177.40000107.6V51 K52 Y54 E136 F137 F171V26-V51 WeakPolarHBondContact O-CA 3.42Å; V26-K52 HydrophobicContact CB-CG 4.03Å; V26-K52 PolarHBondContact N-O 3.24Å; V26-K52 PolarHBondContact O-N 3.49Å; V26-Y54 HydrophobicContact CG2-CD2 3.9Å; V26-E136 HydrophobicContact CG1-CB 3.89Å; V26-E136 HydrophobicContact CG1-CG 4.16Å; V26-F137 VanDerWaalsContact CA-O 3.3Å; V26-F137 WeakPolarHBondContact CA-O 3.29Å; V26-F171 HydrophobicContact CB-CE2 4.36Å; V26-F171 HydrophobicContact CB-CZ 4.49Å; V26-F171 HydrophobicContact CG1-CE2 3.78Å; V26-F171 HydrophobicContact CG1-CZ 3.73Å; V26-F171 HydrophobicContact CG2-CD2 4.3Å; V26-F171 HydrophobicContact CG2-CE2 3.59Å; V26-F171 HydrophobicContact CG2-CZ 3.96Å
27F98.5Very high96Very high15 Ų1557 Ų577%0.06630%0.297CS..EExtended strand (participates in β ladder)trans-131.1155.6174.274.3-83000110.5Y50 V51 I100 L114 H116 E136 F137 D139F27-Y50 VanDerWaalsContact CA-O 3.26Å; F27-Y50 WeakPolarHBondContact CA-O 3.47Å; F27-V51 HydrophobicContact CB-CG2 4Å; F27-I100 HydrophobicContact CB-CD1 4.42Å; F27-I100 HydrophobicContact CD2-CD1 4.06Å; F27-L114 HydrophobicContact CB-CD1 4.11Å; F27-L114 HydrophobicContact CD1-CD1 3.77Å; F27-L114 HydrophobicContact CD2-CB 4.36Å; F27-L114 HydrophobicContact CD2-CD1 4.28Å; F27-L114 HydrophobicContact CE1-CD1 4.22Å; F27-L114 HydrophobicContact CE1-CD2 4.32Å; F27-L114 HydrophobicContact CE2-CB 4.19Å; F27-L114 HydrophobicContact CG-CD1 3.79Å; F27-L114 HydrophobicContact CZ-CB 4.33Å; F27-H116 HydrophobicContact CD2-CB 4.08Å; F27-H116 HydrophobicContact CE2-CB 3.99Å; F27-E136 CarbonylContact O-C 3.51Å; F27-E136 WeakPolarHBondContact O-CA 3.41Å; F27-F137 HydrophobicContact CD1-CB 4.23Å; F27-F137 HydrophobicContact CE1-CB 3.73Å; F27-F137 HydrophobicContact CE2-CB 4.36Å; F27-F137 HydrophobicContact CE2-CD2 4.28Å; F27-F137 HydrophobicContact CZ-CB 3.8Å; F27-F137 HydrophobicContact CZ-CD2 4.41Å; F27-F137 HydrophobicContact CZ-CG 4.34Å; F27-F137 PolarHBondContact N-O 3.44Å; F27-F137 PolarHBondContact O-N 2.91Å; F27-D139 HydrophobicContact CD1-CB 4.34Å; F27-D139 HydrophobicContact CE1-CB 3.97Å
28G98.2Very high96Very high0 Ų051.4 Ų51.40%027%0.271CS..EExtended strand (participates in β ladder)trans154-155.5179.200000112.5V49 Y50 S135G28-V49 CarbonylContact O-C 3.46Å; G28-V49 VanDerWaalsContact O-CA 3.29Å; G28-V49 WeakPolarHBondContact O-CA 3.17Å; G28-V49 WeakPolarHBondContact O-CG2 3.28Å; G28-Y50 PolarHBondContact N-O 2.91Å; G28-Y50 VanDerWaalsContact N-O 3.12Å; G28-Y50 PolarHBondContact O-N 3.49Å; G28-S135 CarbonylContact C-O 3.58Å; G28-S135 WeakPolarHBondContact CA-O 3.39Å
29N98.4Very high96Very high0 Ų056.4 Ų56.40%028%0.275CS..EExtended strand (participates in β ladder)trans-140.6156.3176.282.5-85.2000113.7S48 V49 H116 L118 K119 S135N29-S48 CarbonylContact C-O 3.59Å; N29-S48 WeakPolarHBondContact CA-O 3.36Å; N29-S48 VanDerWaalsContact CB-O 3.31Å; N29-S48 WeakPolarHBondContact CB-O 3.33Å; N29-V49 HydrophobicContact CB-CB 4.35Å; N29-H116 PolarHBondContact N-NE2 2.95Å; N29-H116 PolarHBondContact OD1-NE2 3.39Å; N29-L118 HydrophobicContact CB-CD1 3.77Å; N29-L118 VanDerWaalsContact CG-CD1 3.48Å; N29-K119 PolarHBondContact ND2-O 3.19Å; N29-K119 PolarHBondContact OD1-N 3.06Å; N29-S135 PolarHBondContact N-O 3.32Å; N29-S135 PolarHBondContact O-N 3.32Å
30V97.3Very high95.9Very high30 Ų3062 Ų6218%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-108.8151.2157.4-63.70000109.8W47 S48 Y50 T132 V133 V134 E168V30-W47 CarbonylContact O-C 3.56Å; V30-W47 WeakPolarHBondContact O-CA 3.25Å; V30-W47 WeakPolarHBondContact O-CB 3.42Å; V30-S48 PolarHBondContact N-O 3.35Å; V30-S48 PolarHBondContact O-N 2.93Å; V30-Y50 HydrophobicContact CG1-CE1 4.09Å; V30-Y50 HydrophobicContact CG2-CE1 4.33Å; V30-T132 HydrophobicContact CB-CG2 4.13Å; V30-V133 CarbonylContact C-O 3.52Å; V30-V133 VanDerWaalsContact CA-O 3.23Å; V30-V133 WeakPolarHBondContact CA-O 3.26Å; V30-V134 HydrophobicContact CG1-CG2 4.12Å; V30-E168 HydrophobicContact CG1-CG 3.99Å
31A97.1Very high95.7Very high3 Ų361.3 Ų61.33%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-143.3144.9175.400000111.4Q46 W47 L120 T132 V133A31-Q46 CarbonylContact C-O 3.6Å; A31-Q46 VanDerWaalsContact CA-O 3.3Å; A31-Q46 WeakPolarHBondContact CA-O 3.29Å; A31-W47 HydrophobicContact CB-CB 3.9Å; A31-L120 HydrophobicContact CB-CD2 3.68Å; A31-T132 CarbonylContact O-C 3.51Å; A31-T132 VanDerWaalsContact O-CA 3.29Å; A31-T132 WeakPolarHBondContact O-CA 3.44Å; A31-T132 WeakPolarHBondContact O-CG2 3.26Å; A31-V133 HydrophobicContact CB-CB 4.35Å; A31-V133 PolarHBondContact N-O 3.07Å; A31-V133 PolarHBondContact O-N 2.77Å
32R95.3Very high95.6Very high145 Ų14560.8 Ų60.855%0.54729%0.293SS..EExtended strand (participates in β ladder)trans-130125178.6176.5-177.4150.3148-4.8109.6H45 Q46R32-H45 WeakPolarHBondContact O-CA 3.46Å; R32-Q46 PolarHBondContact N-O 3.41Å; R32-Q46 PolarHBondContact O-N 3.49Å
33Y93.8Very high95.6Very high113 Ų11359.5 Ų59.544%0.44328%0.283SS..EExtended strand (participates in β ladder)trans-70.4138172.8-178.6-128.2000110.8G35 K36 T44 H45Y33-G35 VanDerWaalsContact CD1-N 3.28Å; Y33-G35 WeakPolarHBondContact CE1-O 3.43Å; Y33-G35 PolarHBondContact O-N 2.99Å; Y33-G35 VanDerWaalsContact OH-C 3.31Å; Y33-G35 PolarHBondContact OH-O 3.28Å; Y33-K36 WeakPolarHBondContact OH-CA 3.29Å; Y33-K36 PolarHBondContact OH-N 3.02Å; Y33-T44 WeakPolarHBondContact CD2-O 3.3Å; Y33-T44 HydrophobicContact CE2-CG2 4.46Å; Y33-H45 AromaticContact CD2-CE1 3.7Å; Y33-H45 AromaticContact CD2-NE2 3.67Å
34F93.1Very high95.5Very high67 Ų6759.5 Ų59.529%0.29429%0.285SS..  trans-72.8-13.2177.8-65.5-40.1000113.7K36 H43 T44 H45 Q46 T91F34-K36 WeakPolarHBondContact CB-O 3.42Å; F34-K36 PolarHBondContact O-N 3.42Å; F34-H43 HydrophobicContact CE2-CB 4.27Å; F34-T44 VanDerWaalsContact CD2-O 3.27Å; F34-T44 WeakPolarHBondContact CD2-O 3.48Å; F34-T44 WeakPolarHBondContact CG-O 3.24Å; F34-T44 PolarHBondContact N-O 2.92Å; F34-H45 VanDerWaalsContact CZ-C 3.41Å; F34-H45 WeakPolarHBondContact CZ-O 3.35Å; F34-Q46 HydrophobicContact CE1-CB 3.6Å; F34-Q46 HydrophobicContact CZ-CB 3.79Å; F34-T91 HydrophobicContact CE2-CG2 4.49Å; F34-T91 HydrophobicContact CZ-CG2 3.75Å
35G90.4Very high95.5Very high54 Ų5459.2 Ų59.256%0.55728%0.282SS*.SBendtrans89-23-171.100000112.8Y33Y33-G35 VanDerWaalsContact CD1-N 3.28Å; Y33-G35 WeakPolarHBondContact CE1-O 3.43Å; Y33-G35 PolarHBondContact O-N 2.99Å; Y33-G35 VanDerWaalsContact OH-C 3.31Å; Y33-G35 PolarHBondContact OH-O 3.28Å
36K92Very high95.5Very high147 Ų14763.4 Ų63.464%0.63930%0.302SS*.SBendtrans-147.1159175.862.3177.4-178.8174.40111.2Y33 F34Y33-K36 WeakPolarHBondContact OH-CA 3.29Å; Y33-K36 PolarHBondContact OH-N 3.02Å; F34-K36 WeakPolarHBondContact CB-O 3.42Å; F34-K36 PolarHBondContact O-N 3.42Å
37K94.9Very high95.5Very high133 Ų13363.5 Ų63.558%0.57830%0.302SS*.  trans-65.9134.2163.7-174.2176.9177.1-176.70108.8G42 T44K37-G42 WeakPolarHBondContact CG-O 3.11Å; K37-T44 HydrophobicContact CB-CG2 4.22Å; K37-T44 HydrophobicContact CG-CG2 4.29Å
38R94.6Very high95.5Very high70 Ų7063.8 Ų63.826%0.26431%0.306SS..  trans-77.8136.8174.9-162.7-171.2-56160.58.3109.7E40 D41 G42 H43R38-E40 VanDerWaalsContact CD-CD 3.49Å; R38-E40 WeakPolarHBondContact CD-OE1 3.3Å; R38-E40 HydrophobicContact CG-CG 4.05Å; R38-E40 IonicContact CZ-OE1 3.55Å; R38-E40 IonicContact NE-OE1 2.81Å; R38-E40 IonicContact NH1-OE1 2.85Å; R38-E40 PolarHBondContact NH1-OE1 3.37Å; R38-D41 WeakPolarHBondContact CB-OD1 3.46Å; R38-D41 IonicContact CZ-OD2 2.74Å; R38-D41 IonicContact NE-OD1 3.98Å; R38-D41 IonicContact NH1-OD2 3.72Å; R38-D41 PolarHBondContact NH1-OD2 3.02Å; R38-G42 WeakPolarHBondContact O-CA 3.49Å; R38-G42 PolarHBondContact O-N 2.96Å; R38-H43 WeakPolarHBondContact CB-O 3.41Å; R38-H43 PolarHBondContact N-O 3.27Å
39E94.5Very high95.6Very high178 Ų17863.8 Ų63.883%0.83231%0.306SS*.THydrogen-bonded Turntrans-69.6-32.8-173.9-59.8-60.2148.600113.3
40E94.8Very high95.6Very high152 Ų15264.3 Ų64.371%0.7131%0.308SS*.THydrogen-bonded Turntrans-73.4-42.2-172.371.8-169.817200114R38R38-E40 VanDerWaalsContact CD-CD 3.49Å; R38-E40 WeakPolarHBondContact CD-OE1 3.3Å; R38-E40 HydrophobicContact CG-CG 4.05Å; R38-E40 IonicContact CZ-OE1 3.55Å; R38-E40 IonicContact NE-OE1 2.81Å; R38-E40 IonicContact NH1-OE1 2.85Å; R38-E40 PolarHBondContact NH1-OE1 3.37Å
41D93.4Very high95.6Very high57 Ų5763 Ų6331%0.30530%0.3SS..THydrogen-bonded Turntrans-128.7-6.1-169.158.110.5000112.3R38 H43R38-D41 WeakPolarHBondContact CB-OD1 3.46Å; R38-D41 IonicContact CZ-OD2 2.74Å; R38-D41 IonicContact NE-OD1 3.98Å; R38-D41 IonicContact NH1-OD2 3.72Å; R38-D41 PolarHBondContact NH1-OD2 3.02Å; D41-H43 PolarHBondContact O-CD2 3.42Å; D41-H43 PolarHBondContact O-N 2.96Å; D41-H43 VanDerWaalsContact OD1-CB 3.28Å; D41-H43 WeakPolarHBondContact OD1-CB 3.24Å; D41-H43 IonicContact OD1-CD2 3.25Å; D41-H43 IonicContact OD1-CG 2.75Å; D41-H43 PolarHBondContact OD1-N 3.34Å; D41-H43 IonicContact OD2-CD2 3.68Å; D41-H43 IonicContact OD2-CE1 2.82Å; D41-H43 IonicContact OD2-CG 2.8Å; D41-H43 IonicContact OD2-ND1 2.69Å; D41-H43 PolarHBondContact OD2-ND1 3.37Å
42G94.9Very high95.6Very high14 Ų1464.6 Ų64.614%0.14431%0.306CS..  trans70.310.6-175.700000114.7K37 R38K37-G42 WeakPolarHBondContact CG-O 3.11Å; R38-G42 WeakPolarHBondContact O-CA 3.49Å; R38-G42 PolarHBondContact O-N 2.96Å
43H96.9Very high95.6Very high34 Ų3458 Ų5816%0.15728%0.282CS..  trans-68.7144.8-179.8-69.9-173000111.1F34 R38 D41 T91 W93F34-H43 HydrophobicContact CE2-CB 4.27Å; R38-H43 WeakPolarHBondContact CB-O 3.41Å; R38-H43 PolarHBondContact N-O 3.27Å; D41-H43 PolarHBondContact O-CD2 3.42Å; D41-H43 PolarHBondContact O-N 2.96Å; D41-H43 VanDerWaalsContact OD1-CB 3.28Å; D41-H43 WeakPolarHBondContact OD1-CB 3.24Å; D41-H43 IonicContact OD1-CD2 3.25Å; D41-H43 IonicContact OD1-CG 2.75Å; D41-H43 PolarHBondContact OD1-N 3.34Å; D41-H43 IonicContact OD2-CD2 3.68Å; D41-H43 IonicContact OD2-CE1 2.82Å; D41-H43 IonicContact OD2-CG 2.8Å; D41-H43 IonicContact OD2-ND1 2.69Å; D41-H43 PolarHBondContact OD2-ND1 3.37Å; H43-T91 PolarHBondContact CE1-O 2.78Å; H43-T91 VanDerWaalsContact ND1-C 3.31Å; H43-T91 WeakPolarHBondContact ND1-CB 3.32Å; H43-T91 PolarHBondContact ND1-O 2.82Å; H43-T91 PolarHBondContact ND1-OG1 3.1Å; H43-W93 AromaticContact CD2-CD1 3.83Å
44T95.9Very high95.6Very high22 Ų2256.3 Ų56.314%0.13528%0.275CS..  trans-118.1-26-175.6520000112.4Y33 F34 K37 G92 W93Y33-T44 WeakPolarHBondContact CD2-O 3.3Å; Y33-T44 HydrophobicContact CE2-CG2 4.46Å; F34-T44 VanDerWaalsContact CD2-O 3.27Å; F34-T44 WeakPolarHBondContact CD2-O 3.48Å; F34-T44 WeakPolarHBondContact CG-O 3.24Å; F34-T44 PolarHBondContact N-O 2.92Å; K37-T44 HydrophobicContact CB-CG2 4.22Å; K37-T44 HydrophobicContact CG-CG2 4.29Å; T44-G92 PolarHBondContact N-O 2.96Å; T44-G92 PolarHBondContact OG1-O 3.45Å; T44-W93 HydrophobicContact CG2-CB 4.45Å; T44-W93 WeakPolarHBondContact OG1-CA 3.47Å
45H96.9Very high95.5Very high9 Ų961.8 Ų61.84%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-127.7149.5-176.3-61.976.5000111.4R32 Y33 F34 T91 G92 L120 F121R32-H45 WeakPolarHBondContact O-CA 3.46Å; Y33-H45 AromaticContact CD2-CE1 3.7Å; Y33-H45 AromaticContact CD2-NE2 3.67Å; F34-H45 VanDerWaalsContact CZ-C 3.41Å; F34-H45 WeakPolarHBondContact CZ-O 3.35Å; H45-T91 CarbonylContact O-C 3.51Å; H45-T91 WeakPolarHBondContact O-CA 3.42Å; H45-T91 WeakPolarHBondContact O-CB 3.44Å; H45-G92 PolarHBondContact N-O 2.99Å; H45-G92 PolarHBondContact O-N 3.47Å; H45-L120 HydrophobicContact CB-CD1 4.27Å; H45-L120 HydrophobicContact CB-CD2 4.02Å; H45-L120 PolarHBondContact NE2-O 3.11Å; H45-F121 AromaticContact CE1-CE1 3.63Å
46Q97.6Very high95.4Very high89 Ų8960.7 Ų60.742%0.41628%0.276SS..EExtended strand (participates in β ladder)trans-98.8140.2153.2174.9176.175.200108A31 R32 F34 T89 E90 T91A31-Q46 CarbonylContact C-O 3.6Å; A31-Q46 VanDerWaalsContact CA-O 3.3Å; A31-Q46 WeakPolarHBondContact CA-O 3.29Å; R32-Q46 PolarHBondContact N-O 3.41Å; R32-Q46 PolarHBondContact O-N 3.49Å; F34-Q46 HydrophobicContact CE1-CB 3.6Å; F34-Q46 HydrophobicContact CZ-CB 3.79Å; Q46-T89 HydrophobicContact CG-CG2 3.87Å; Q46-E90 WeakPolarHBondContact CA-O 3.48Å; Q46-T91 HydrophobicContact CB-CG2 4.15Å; Q46-T91 HydrophobicContact CG-CG2 4.4Å
47W98.1Very high95.4Very high1 Ų154.8 Ų54.80%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-140.1150.617953-96.5000110.7V30 A31 V49 L70 Y74 T89 E90 F96 I98 L118 L120V30-W47 CarbonylContact O-C 3.56Å; V30-W47 WeakPolarHBondContact O-CA 3.25Å; V30-W47 WeakPolarHBondContact O-CB 3.42Å; A31-W47 HydrophobicContact CB-CB 3.9Å; W47-V49 HydrophobicContact CE3-CB 4.45Å; W47-V49 HydrophobicContact CZ3-CB 4.23Å; W47-V49 HydrophobicContact CZ3-CG1 3.89Å; W47-L70 HydrophobicContact CH2-CD1 4.06Å; W47-L70 HydrophobicContact CH2-CD2 3.78Å; W47-L70 HydrophobicContact CZ3-CD2 4.33Å; W47-Y74 HydrophobicContact CZ2-CE1 4.07Å; W47-Y74 HydrophobicContact CZ2-CE2 4.34Å; W47-Y74 AromaticContact CZ2-CZ 3.74Å; W47-T89 WeakPolarHBondContact O-CA 3.46Å; W47-E90 HydrophobicContact CD2-CB 4.09Å; W47-E90 HydrophobicContact CE3-CB 4.22Å; W47-E90 HydrophobicContact CH2-CB 3.44Å; W47-E90 VanDerWaalsContact CH2-CB 3.44Å; W47-E90 HydrophobicContact CH2-CG 4.03Å; W47-E90 HydrophobicContact CZ2-CB 3.27Å; W47-E90 HydrophobicContact CZ2-CG 4.16Å; W47-E90 HydrophobicContact CZ3-CB 3.91Å; W47-E90 PolarHBondContact N-O 2.88Å; W47-E90 PolarHBondContact O-N 3.14Å; W47-F96 HydrophobicContact CH2-CZ 4.16Å; W47-F96 HydrophobicContact CZ2-CE1 4.3Å; W47-F96 AromaticContact CZ2-CZ 3.93Å; W47-F96 HydrophobicContact CZ2-CZ 3.93Å; W47-I98 HydrophobicContact CH2-CD1 4.35Å; W47-I98 HydrophobicContact CZ3-CD1 4.08Å; W47-L118 HydrophobicContact CB-CD1 4.11Å; W47-L118 HydrophobicContact CD2-CD1 3.8Å; W47-L118 HydrophobicContact CD2-CD2 3.79Å; W47-L118 HydrophobicContact CD2-CG 4.46Å; W47-L118 HydrophobicContact CE3-CD1 3.75Å; W47-L118 HydrophobicContact CE3-CD2 4.32Å; W47-L118 HydrophobicContact CG-CD1 3.98Å; W47-L118 HydrophobicContact CG-CD2 4.02Å; W47-L118 HydrophobicContact CZ2-CD2 4.11Å; W47-L118 HydrophobicContact CZ3-CD1 4.42Å; W47-L120 HydrophobicContact CB-CD2 3.89Å; W47-L120 HydrophobicContact CG-CD2 4Å
48S98.4Very high95.4Very high21 Ų2150.6 Ų50.615%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-127.5117.4175.9-55.90000108.7N29 V30 I88 T89N29-S48 CarbonylContact C-O 3.59Å; N29-S48 WeakPolarHBondContact CA-O 3.36Å; N29-S48 VanDerWaalsContact CB-O 3.31Å; N29-S48 WeakPolarHBondContact CB-O 3.33Å; V30-S48 PolarHBondContact N-O 3.35Å; V30-S48 PolarHBondContact O-N 2.93Å; S48-I88 CarbonylContact C-O 3.56Å; S48-I88 VanDerWaalsContact CA-O 3.28Å; S48-I88 WeakPolarHBondContact CA-O 3.33Å; S48-T89 PolarHBondContact OG-OG1 3.49Å
49V98.7Very high95.4Very high0 Ų047.3 Ų47.30%022%0.222CC..EExtended strand (participates in β ladder)trans-97.3140.217367.20000109G28 N29 W47 F68 E87 I88 I98 I100G28-V49 CarbonylContact O-C 3.46Å; G28-V49 VanDerWaalsContact O-CA 3.29Å; G28-V49 WeakPolarHBondContact O-CA 3.17Å; G28-V49 WeakPolarHBondContact O-CG2 3.28Å; N29-V49 HydrophobicContact CB-CB 4.35Å; W47-V49 HydrophobicContact CE3-CB 4.45Å; W47-V49 HydrophobicContact CZ3-CB 4.23Å; W47-V49 HydrophobicContact CZ3-CG1 3.89Å; V49-F68 HydrophobicContact CG1-CD1 3.74Å; V49-F68 HydrophobicContact CG1-CE1 4.14Å; V49-F68 HydrophobicContact CG1-CG 4.42Å; V49-F68 HydrophobicContact CG2-CD1 4.23Å; V49-F68 HydrophobicContact CG2-CE1 4.29Å; V49-E87 CarbonylContact O-C 3.52Å; V49-E87 WeakPolarHBondContact O-CA 3.31Å; V49-E87 WeakPolarHBondContact O-CB 3.38Å; V49-I88 HydrophobicContact CG1-CB 4.04Å; V49-I88 PolarHBondContact N-O 3.27Å; V49-I88 PolarHBondContact O-N 2.88Å; V49-I98 HydrophobicContact CB-CD1 3.98Å; V49-I98 HydrophobicContact CG1-CD1 4.12Å; V49-I98 HydrophobicContact CG2-CD1 3.92Å; V49-I98 HydrophobicContact CG2-CG2 4.35Å; V49-I100 HydrophobicContact CG2-CD1 4.2Å
50Y98.5Very high95.4Very high12 Ų1240.7 Ų40.75%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-151.3162.4-174.251.6-99000114.1F27 G28 V30 K52 Y86 E136F27-Y50 VanDerWaalsContact CA-O 3.26Å; F27-Y50 WeakPolarHBondContact CA-O 3.47Å; G28-Y50 PolarHBondContact N-O 2.91Å; G28-Y50 VanDerWaalsContact N-O 3.12Å; G28-Y50 PolarHBondContact O-N 3.49Å; V30-Y50 HydrophobicContact CG1-CE1 4.09Å; V30-Y50 HydrophobicContact CG2-CE1 4.33Å; Y50-K52 HydrophobicContact CD2-CD 4.28Å; Y50-K52 HydrophobicContact CD2-CG 4.39Å; Y50-K52 HydrophobicContact CE2-CD 4.27Å; Y50-Y86 VanDerWaalsContact CA-O 3.27Å; Y50-Y86 WeakPolarHBondContact CA-O 3.35Å; Y50-E136 HydrophobicContact CE2-CG 4.06Å; Y50-E136 WeakPolarHBondContact CE2-OE1 3.44Å; Y50-E136 VanDerWaalsContact CZ-OE1 3.26Å; Y50-E136 WeakPolarHBondContact OH-CG 3.37Å; Y50-E136 PolarHBondContact OH-OE1 3.25Å
51V98.4Very high95.4Very high2 Ų234.8 Ų34.81%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-125.7132.3161.6-179.20000107.7I25 V26 F27 M59 I66 F68 Y86 I100 I102I25-V51 HydrophobicContact CB-CG1 4.5Å; I25-V51 HydrophobicContact CD1-CG1 4.38Å; V26-V51 WeakPolarHBondContact O-CA 3.42Å; F27-V51 HydrophobicContact CB-CG2 4Å; V51-M59 HydrophobicContact CG1-CE 4.36Å; V51-I66 HydrophobicContact CB-CD1 3.8Å; V51-I66 HydrophobicContact CG1-CD1 4.01Å; V51-I66 HydrophobicContact CG2-CD1 4.23Å; V51-I66 HydrophobicContact CG2-CG2 4.35Å; V51-F68 HydrophobicContact CG2-CE1 4.35Å; V51-F68 HydrophobicContact CG2-CZ 4.36Å; V51-Y86 PolarHBondContact N-O 3.45Å; V51-I100 HydrophobicContact CG2-CD1 4.29Å; V51-I100 HydrophobicContact CG2-CG2 3.57Å; V51-I102 HydrophobicContact CG1-CD1 4.08Å
52K96Very high95.6Very high37 Ų3732.1 Ų32.116%0.16116%0.158CC..EExtended strand (participates in β ladder)trans-140.1152175.864.2-174.1167.1-1700109.6I25 V26 Y50 E136 Y165 H167I25-K52 CarbonylContact C-O 3.55Å; I25-K52 WeakPolarHBondContact CA-O 3.48Å; V26-K52 HydrophobicContact CB-CG 4.03Å; V26-K52 PolarHBondContact N-O 3.24Å; V26-K52 PolarHBondContact O-N 3.49Å; Y50-K52 HydrophobicContact CD2-CD 4.28Å; Y50-K52 HydrophobicContact CD2-CG 4.39Å; Y50-K52 HydrophobicContact CE2-CD 4.27Å; K52-E136 WeakPolarHBondContact CE-OE1 3.22Å; K52-E136 IonicContact NZ-OE1 3.52Å; K52-E136 PolarHBondContact NZ-OE1 3.01Å; K52-Y165 WeakPolarHBondContact CB-OH 3.19Å; K52-H167 VanDerWaalsContact CE-ND1 3.35Å; K52-H167 WeakPolarHBondContact CE-ND1 3.15Å
53P96Very high95.7Very high5 Ų531.6 Ų31.63%0.03215%0.152CC..EExtended strand (participates in β ladder)trans-69150.417730-32.6000109.6R55 E57 M59 Y165 H167P53-R55 VanDerWaalsContact C-N 3.32Å; P53-R55 WeakPolarHBondContact CB-O 3.45Å; P53-R55 WeakPolarHBondContact CG-O 3.48Å; P53-E57 HydrophobicContact CB-CG 3.67Å; P53-E57 HydrophobicContact CG-CG 3.98Å; P53-E57 WeakPolarHBondContact CG-O 3.39Å; P53-M59 HydrophobicContact CB-CG 3.79Å; P53-M59 HydrophobicContact CB-SD 3.88Å; P53-M59 WeakPolarHBondContact CD-SD 3.36Å; P53-M59 HydrophobicContact CG-CG 3.79Å; P53-M59 HydrophobicContact CG-SD 4.06Å; P53-Y165 WeakPolarHBondContact CD-OH 3.5Å; P53-Y165 WeakPolarHBondContact O-CE1 3.39Å; P53-Y165 VanDerWaalsContact O-CZ 3.24Å; P53-Y165 PolarHBondContact O-OH 3.25Å; P53-H167 PolarHBondContact O-CE1 3.34Å
54Y94.3Very high95.8Very high78 Ų7836 Ų3631%0.30617%0.171SC..SBendtrans-69.9-35.4175.9178.1-102.5000111.2P24 V26 Y138 Y165 H167 F171P24-Y54 HydrophobicContact CB-CD1 4.39Å; P24-Y54 HydrophobicContact CB-CG 4.3Å; P24-Y54 HydrophobicContact CG-CD1 4.31Å; P24-Y54 WeakPolarHBondContact O-CB 3.19Å; P24-Y54 PolarHBondContact O-N 3.42Å; V26-Y54 HydrophobicContact CG2-CD2 3.9Å; Y54-Y138 HydrophobicContact CD1-CE2 4.18Å; Y54-Y138 AromaticContact CD2-CD2 3.75Å; Y54-Y138 HydrophobicContact CD2-CD2 3.75Å; Y54-Y138 AromaticContact CD2-CE2 3.83Å; Y54-Y138 HydrophobicContact CD2-CE2 3.83Å; Y54-Y138 HydrophobicContact CE2-CD2 4.17Å; Y54-Y138 HydrophobicContact CE2-CE2 4.26Å; Y54-Y138 HydrophobicContact CG-CD2 4.14Å; Y54-Y138 AromaticContact CG-CE2 3.78Å; Y54-Y138 HydrophobicContact CG-CE2 3.78Å; Y54-Y165 WeakPolarHBondContact O-CE1 3.41Å; Y54-H167 AromaticContact CD2-CD2 3.8Å; Y54-H167 AromaticContact CD2-NE2 3.35Å; Y54-H167 VanDerWaalsContact CD2-NE2 3.35Å; Y54-H167 WeakPolarHBondContact CD2-NE2 3.4Å; Y54-H167 AromaticContact CE2-CD2 3.89Å; Y54-H167 AromaticContact CE2-NE2 3.86Å; Y54-H167 AromaticContact CG-NE2 3.97Å; Y54-H167 PolarHBondContact O-NE2 2.92Å; Y54-F171 HydrophobicContact CE2-CB 4.13Å; Y54-F171 HydrophobicContact CE2-CD2 4.16Å; Y54-F171 HydrophobicContact CE2-CG 4.34Å
55R90.2Very high95.9Very high183 Ų18337.7 Ų37.769%0.69118%0.176SC*.SBendtrans-97.8151.8171.5-61.2-176.1-177.3173.72.2109.6P53 E57P53-R55 VanDerWaalsContact C-N 3.32Å; P53-R55 WeakPolarHBondContact CB-O 3.45Å; P53-R55 WeakPolarHBondContact CG-O 3.48Å; R55-E57 PolarHBondContact O-N 2.96Å
56N89.4Confident96Very high31 Ų3137.2 Ų37.217%0.16617%0.174CC..SBendtrans-67.492.6177.2-175.313.1000110.9L160 T161 Y165N56-L160 WeakPolarHBondContact OD1-CB 3.35Å; N56-L160 PolarHBondContact OD1-N 3.37Å; N56-L160 VanDerWaalsContact OD1-N 3.16Å; N56-T161 PolarHBondContact ND2-O 3.07Å; N56-T161 PolarHBondContact ND2-OG1 3.37Å; N56-T161 PolarHBondContact OD1-N 3.03Å; N56-T161 VanDerWaalsContact OD1-N 3.14Å; N56-Y165 HydrophobicContact CB-CD1 4.01Å; N56-Y165 HydrophobicContact CB-CD2 4.14Å; N56-Y165 HydrophobicContact CB-CG 3.69Å
57E92Very high96Very high23 Ų2334.5 Ų34.511%0.10716%0.161CC..  trans-140.4155.117771-179162.700111.1K23 P53 R55 M59 Y62 R158K23-E57 WeakPolarHBondContact CD-OE1 3.38Å; K23-E57 IonicContact NZ-OE1 3.62Å; K23-E57 IonicContact NZ-OE2 3.68Å; K23-E57 PolarHBondContact NZ-OE2 2.91Å; P53-E57 HydrophobicContact CB-CG 3.67Å; P53-E57 HydrophobicContact CG-CG 3.98Å; P53-E57 WeakPolarHBondContact CG-O 3.39Å; R55-E57 PolarHBondContact O-N 2.96Å; E57-M59 PolarHBondContact O-N 3.33Å; E57-Y62 PolarHBondContact OE1-OH 3.13Å; E57-R158 CarbonylContact C-O 3.54Å; E57-R158 WeakPolarHBondContact CA-O 3.35Å
58D92.9Very high96.1Very high44 Ų4434.4 Ų34.424%0.23516%0.161CC..  trans-84.6101.9173.9-174.7-2000109.9S60 A61 S157 R158 L160D58-S60 PolarHBondContact O-N 2.9Å; D58-S60 WeakPolarHBondContact OD1-CB 3.21Å; D58-S60 PolarHBondContact OD1-N 3.42Å; D58-S60 PolarHBondContact OD1-OG 2.93Å; D58-S60 PolarHBondContact OD2-OG 3.38Å; D58-A61 WeakPolarHBondContact O-CB 3.31Å; D58-A61 PolarHBondContact O-N 2.93Å; D58-S157 PolarHBondContact N-OG 2.96Å; D58-S157 PolarHBondContact O-OG 3.33Å; D58-R158 PolarHBondContact N-O 2.82Å; D58-L160 HydrophobicContact CB-CD1 4.23Å
59M95.4Very high96.1Very high2 Ų237.4 Ų37.41%0.0117%0.171CC..G310 helixtrans-65.3-20.7177.8-55.6-175.552.900112.5I25 V51 P53 E57 A61 Y62 V63 Y86 M141I25-M59 HydrophobicContact CG2-CE 4.01Å; I25-M59 HydrophobicContact CG2-SD 4.42Å; V51-M59 HydrophobicContact CG1-CE 4.36Å; P53-M59 HydrophobicContact CB-CG 3.79Å; P53-M59 HydrophobicContact CB-SD 3.88Å; P53-M59 WeakPolarHBondContact CD-SD 3.36Å; P53-M59 HydrophobicContact CG-CG 3.79Å; P53-M59 HydrophobicContact CG-SD 4.06Å; E57-M59 PolarHBondContact O-N 3.33Å; M59-A61 PolarHBondContact O-N 3.14Å; M59-A61 VanDerWaalsContact O-N 3.07Å; M59-Y62 HydrophobicContact CB-CE1 4.45Å; M59-Y62 HydrophobicContact CB-CE2 4.26Å; M59-Y62 HydrophobicContact CE-CE2 4.26Å; M59-Y62 WeakPolarHBondContact CG-OH 3.33Å; M59-Y62 PolarHBondContact O-N 2.93Å; M59-V63 HydrophobicContact CB-CB 4.47Å; M59-V63 HydrophobicContact CB-CG2 4.09Å; M59-V63 HydrophobicContact CE-CG2 3.82Å; M59-V63 VanDerWaalsContact O-CB 3.3Å; M59-V63 WeakPolarHBondContact O-CB 3.07Å; M59-V63 PolarHBondContact O-N 3.37Å; M59-Y86 HydrophobicContact CB-CE2 3.91Å; M59-M141 HydrophobicContact CE-CE 3.92Å
60S95.3Very high96.1Very high39 Ų3937.6 Ų37.627%0.27317%0.172SC..G310 helixtrans-63.2-14.617876.70000113.1D58 Y62 Y86 I105D58-S60 PolarHBondContact O-N 2.9Å; D58-S60 WeakPolarHBondContact OD1-CB 3.21Å; D58-S60 PolarHBondContact OD1-N 3.42Å; D58-S60 PolarHBondContact OD1-OG 2.93Å; D58-S60 PolarHBondContact OD2-OG 3.38Å; S60-Y62 PolarHBondContact O-N 3Å; S60-Y86 VanDerWaalsContact CA-OH 3.23Å; S60-Y86 WeakPolarHBondContact CA-OH 3.44Å; S60-Y86 WeakPolarHBondContact CB-OH 3.37Å; S60-Y86 PolarHBondContact N-OH 2.73Å; S60-I105 VanDerWaalsContact O-CD1 3.31Å; S60-I105 WeakPolarHBondContact O-CD1 3.44Å
61A95.2Very high96Very high28 Ų2841.9 Ų41.923%0.23119%0.192CC..G310 helixtrans-62.4-28.8171.400000113.2D58 M59 I105 L153D58-A61 WeakPolarHBondContact O-CB 3.31Å; D58-A61 PolarHBondContact O-N 2.93Å; M59-A61 PolarHBondContact O-N 3.14Å; M59-A61 VanDerWaalsContact O-N 3.07Å; A61-I105 WeakPolarHBondContact O-CD1 3.27Å; A61-L153 WeakPolarHBondContact O-CB 3.18Å; A61-L153 WeakPolarHBondContact O-CD2 3.27Å
62Y96.3Very high96Very high0 Ų047.7 Ų47.70%022%0.22CC..THydrogen-bonded Turntrans-132.9-15.5-177.155.7-95.7000114K23 E57 M59 S60 F104 I105 M141 L154K23-Y62 HydrophobicContact CD-CE1 4.41Å; K23-Y62 HydrophobicContact CG-CE2 4.37Å; E57-Y62 PolarHBondContact OE1-OH 3.13Å; M59-Y62 HydrophobicContact CB-CE1 4.45Å; M59-Y62 HydrophobicContact CB-CE2 4.26Å; M59-Y62 HydrophobicContact CE-CE2 4.26Å; M59-Y62 WeakPolarHBondContact CG-OH 3.33Å; M59-Y62 PolarHBondContact O-N 2.93Å; S60-Y62 PolarHBondContact O-N 3Å; Y62-F104 WeakPolarHBondContact O-CA 3.26Å; Y62-I105 PolarHBondContact O-N 3.04Å; Y62-M141 HydrophobicContact CE2-CE 3.85Å; Y62-L154 HydrophobicContact CD1-CD2 4.16Å; Y62-L154 HydrophobicContact CD2-CD2 3.96Å; Y62-L154 HydrophobicContact CE2-CD2 4.46Å; Y62-L154 HydrophobicContact CG-CD2 3.8Å
63V97.8Very high96Very high3 Ų350.2 Ų50.22%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-95.3126.6174.4175.90000110.1M59 I66 Y86 I102 F104M59-V63 HydrophobicContact CB-CB 4.47Å; M59-V63 HydrophobicContact CB-CG2 4.09Å; M59-V63 HydrophobicContact CE-CG2 3.82Å; M59-V63 VanDerWaalsContact O-CB 3.3Å; M59-V63 WeakPolarHBondContact O-CB 3.07Å; M59-V63 PolarHBondContact O-N 3.37Å; V63-I66 HydrophobicContact CG1-CD1 4.37Å; V63-I66 HydrophobicContact CG1-CG1 3.83Å; V63-Y86 HydrophobicContact CG1-CE1 4.36Å; V63-I102 HydrophobicContact CG1-CG2 3.95Å; V63-I102 HydrophobicContact CG2-CG2 3.86Å; V63-F104 HydrophobicContact CG2-CD1 4.37Å; V63-F104 HydrophobicContact CG2-CE1 4.4Å
64K97.8Very high96Very high126 Ų12651.4 Ų51.455%0.54825%0.246SC..EExtended strand (participates in β ladder)trans-81.2-44.8175.1179174.3-177.5171.30112.1F103 F104 I105K64-F103 PolarHBondContact N-O 2.98Å; K64-F104 VanDerWaalsContact CB-O 3.27Å; K64-F104 WeakPolarHBondContact CB-O 3.45Å; K64-I105 HydrophobicContact CB-CG1 4.19Å
65K98.4Very high96.1Very high58 Ų5853.8 Ų53.825%0.25227%0.268SS..EExtended strand (participates in β ladder)trans-165.2155.1179.862.3178.7-178.9174.30111.1V80 V81 T82 F103K65-V80 HydrophobicContact CB-CG1 4.03Å; K65-V80 HydrophobicContact CD-CG1 3.81Å; K65-V80 HydrophobicContact CG-CG1 4.41Å; K65-V81 CarbonylContact C-O 3.56Å; K65-V81 WeakPolarHBondContact CA-O 3.18Å; K65-T82 HydrophobicContact CB-CG2 4.01Å; K65-F103 HydrophobicContact CD-CD2 4.39Å; K65-F103 HydrophobicContact CG-CB 3.81Å; K65-F103 HydrophobicContact CG-CD2 3.86Å; K65-F103 HydrophobicContact CG-CG 4.03Å; K65-F103 PolarHBondContact N-O 3.22Å; K65-F103 PolarHBondContact O-N 3.09Å
66I98.8Very high96.4Very high0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-116.7129.5168-56-168.4000108.1V51 V63 F68 V81 Y86 I100 K101 I102V51-I66 HydrophobicContact CB-CD1 3.8Å; V51-I66 HydrophobicContact CG1-CD1 4.01Å; V51-I66 HydrophobicContact CG2-CD1 4.23Å; V51-I66 HydrophobicContact CG2-CG2 4.35Å; V63-I66 HydrophobicContact CG1-CD1 4.37Å; V63-I66 HydrophobicContact CG1-CG1 3.83Å; I66-F68 HydrophobicContact CB-CE2 4.08Å; I66-F68 HydrophobicContact CB-CZ 4.45Å; I66-F68 HydrophobicContact CG2-CD2 4.19Å; I66-F68 HydrophobicContact CG2-CE1 4.3Å; I66-F68 HydrophobicContact CG2-CE2 3.56Å; I66-F68 HydrophobicContact CG2-CZ 3.62Å; I66-V81 PolarHBondContact N-O 2.88Å; I66-V81 PolarHBondContact O-N 3.05Å; I66-Y86 HydrophobicContact CB-CD1 4.23Å; I66-Y86 HydrophobicContact CD1-CD1 3.85Å; I66-Y86 HydrophobicContact CD1-CD2 4.2Å; I66-Y86 HydrophobicContact CD1-CG 3.67Å; I66-Y86 HydrophobicContact CG1-CD1 3.82Å; I66-Y86 HydrophobicContact CG1-CE1 4.3Å; I66-Y86 HydrophobicContact CG1-CG 4.17Å; I66-I100 HydrophobicContact CG2-CG2 3.55Å; I66-K101 CarbonylContact C-O 3.48Å; I66-K101 WeakPolarHBondContact CA-O 3.44Å; I66-I102 HydrophobicContact CD1-CG1 4.11Å; I66-I102 HydrophobicContact CD1-CG2 4.37Å; I66-I102 HydrophobicContact CG1-CG1 4.25Å; I66-I102 HydrophobicContact CG1-CG2 4.21Å; I66-I102 HydrophobicContact CG2-CG1 4.36Å
67Q98.8Very high96.8Very high31 Ų3150.7 Ų50.715%0.14527%0.267CS..EExtended strand (participates in β ladder)trans-102.8133.3173.7-60.7-169.7-42.100109.6L78 R79 V80 I100 K101 F103Q67-L78 HydrophobicContact CB-CD1 4.2Å; Q67-R79 CarbonylContact C-O 3.59Å; Q67-R79 VanDerWaalsContact CA-O 3.26Å; Q67-R79 WeakPolarHBondContact CA-O 3.43Å; Q67-V80 HydrophobicContact CG-CG1 4.38Å; Q67-V80 HydrophobicContact CG-CG2 4.02Å; Q67-I100 CarbonylContact O-C 3.52Å; Q67-I100 VanDerWaalsContact O-CA 3.31Å; Q67-I100 WeakPolarHBondContact O-CA 3.44Å; Q67-K101 HydrophobicContact CB-CB 4.33Å; Q67-K101 PolarHBondContact N-O 2.88Å; Q67-K101 PolarHBondContact O-N 3.31Å; Q67-F103 HydrophobicContact CB-CE2 4.33Å; Q67-F103 HydrophobicContact CG-CD2 4.2Å; Q67-F103 HydrophobicContact CG-CE2 3.65Å; Q67-F103 VanDerWaalsContact OE1-CE2 3.25Å
68F98.8Very high97.1Very high0 Ų053.5 Ų53.50%028%0.282CS..EExtended strand (participates in β ladder)trans-113.4109.6172.1-60-94.8000107.3V49 V51 I66 R79 V81 Y86 I88 I98 I100V49-F68 HydrophobicContact CG1-CD1 3.74Å; V49-F68 HydrophobicContact CG1-CE1 4.14Å; V49-F68 HydrophobicContact CG1-CG 4.42Å; V49-F68 HydrophobicContact CG2-CD1 4.23Å; V49-F68 HydrophobicContact CG2-CE1 4.29Å; V51-F68 HydrophobicContact CG2-CE1 4.35Å; V51-F68 HydrophobicContact CG2-CZ 4.36Å; I66-F68 HydrophobicContact CB-CE2 4.08Å; I66-F68 HydrophobicContact CB-CZ 4.45Å; I66-F68 HydrophobicContact CG2-CD2 4.19Å; I66-F68 HydrophobicContact CG2-CE1 4.3Å; I66-F68 HydrophobicContact CG2-CE2 3.56Å; I66-F68 HydrophobicContact CG2-CZ 3.62Å; F68-R79 HydrophobicContact CB-CB 4.38Å; F68-R79 PolarHBondContact N-O 3.24Å; F68-R79 PolarHBondContact O-N 2.5Å; F68-V81 HydrophobicContact CD2-CG2 4.22Å; F68-V81 HydrophobicContact CE2-CB 4.4Å; F68-V81 HydrophobicContact CE2-CG2 3.95Å; F68-Y86 WeakPolarHBondContact CZ-O 3.46Å; F68-I88 HydrophobicContact CB-CG1 4.29Å; F68-I88 HydrophobicContact CD2-CG1 3.7Å; F68-I88 HydrophobicContact CE2-CG1 4.23Å; F68-I88 HydrophobicContact CG-CG1 4.04Å; F68-I98 HydrophobicContact CB-CG2 4.42Å; F68-I98 HydrophobicContact CD1-CG2 4.42Å; F68-I100 HydrophobicContact CD1-CB 4.49Å; F68-I100 HydrophobicContact CD1-CD1 4.31Å; F68-I100 HydrophobicContact CD1-CG1 3.9Å; F68-I100 HydrophobicContact CD1-CG2 4.07Å; F68-I100 HydrophobicContact CE1-CD1 4.12Å; F68-I100 HydrophobicContact CE1-CG1 4.12Å; F68-I100 HydrophobicContact CE1-CG2 3.82Å; F68-I100 HydrophobicContact CZ-CG2 4.35Å
69K98.7Very high97.3Very high83 Ų8353.5 Ų53.536%0.36128%0.279SS..EExtended strand (participates in β ladder)trans-89.9110.4172-171.5-176.8177.8-1750108.6E72 P77 L78 I98 I99K69-E72 WeakPolarHBondContact CE-OE1 3.34Å; K69-E72 IonicContact NZ-OE1 3.47Å; K69-E72 PolarHBondContact NZ-OE1 3.18Å; K69-P77 WeakPolarHBondContact CA-O 3.43Å; K69-L78 HydrophobicContact CB-CD1 4.13Å; K69-I98 WeakPolarHBondContact O-CA 3.36Å; K69-I99 HydrophobicContact CB-CB 4.15Å; K69-I99 HydrophobicContact CD-CD1 4.43Å; K69-I99 PolarHBondContact N-O 2.94Å; K69-I99 PolarHBondContact O-N 3.4Å; K69-I99 VanDerWaalsContact O-N 3.15Å
70L98.6Very high97.5Very high4 Ų456.8 Ų56.82%0.02130%0.299CS..  trans-84.1175.4174.5-51.2-175.7000110.8W47 Y74 P77 R79 E90 F96 I98W47-L70 HydrophobicContact CH2-CD1 4.06Å; W47-L70 HydrophobicContact CH2-CD2 3.78Å; W47-L70 HydrophobicContact CZ3-CD2 4.33Å; L70-Y74 HydrophobicContact CB-CD2 4.21Å; L70-Y74 HydrophobicContact CB-CG 4.32Å; L70-Y74 HydrophobicContact CD1-CD1 4.25Å; L70-Y74 HydrophobicContact CD1-CG 4.08Å; L70-P77 HydrophobicContact CB-CB 4.43Å; L70-P77 PolarHBondContact N-O 2.96Å; L70-R79 HydrophobicContact CD1-CG 4.1Å; L70-R79 HydrophobicContact CG-CG 4.41Å; L70-E90 HydrophobicContact CD1-CG 4.29Å; L70-F96 HydrophobicContact CB-CE2 4.15Å; L70-F96 HydrophobicContact CB-CZ 4.44Å; L70-F96 HydrophobicContact CD2-CE2 4.43Å; L70-I98 HydrophobicContact CD2-CD1 4.1Å; L70-I98 HydrophobicContact CD2-CG1 4.12Å; L70-I98 HydrophobicContact CD2-CG2 4.18Å
71H97.9Very high97.6Very high102 Ų10256 Ų5647%0.47229%0.292SS..  trans-61.1144.2170.6-172.8-100.4000111.2S73 Y74 F96H71-S73 WeakPolarHBondContact ND1-CB 3.38Å; H71-S73 PolarHBondContact ND1-N 3.01Å; H71-S73 PolarHBondContact ND1-OG 2.84Å; H71-S73 PolarHBondContact O-N 2.93Å; H71-Y74 HydrophobicContact CB-CD2 4.33Å; H71-Y74 PolarHBondContact O-N 3.45Å; H71-F96 HydrophobicContact CB-CB 4.44Å; H71-F96 HydrophobicContact CB-CD1 4.33Å; H71-F96 HydrophobicContact CB-CD2 3.68Å; H71-F96 HydrophobicContact CB-CE2 3.92Å; H71-F96 HydrophobicContact CB-CG 3.9Å; H71-F96 HydrophobicContact CB-CZ 4.36Å; H71-F96 VanDerWaalsContact N-CE2 3.28Å
72E96.9Very high97.7Very high125 Ų12558.5 Ų58.558%0.58431%0.305SS*.THydrogen-bonded Turntrans-62.3-13.6-173.5-59.3-67.4168.100113.7K69 Y74K69-E72 WeakPolarHBondContact CE-OE1 3.34Å; K69-E72 IonicContact NZ-OE1 3.47Å; K69-E72 PolarHBondContact NZ-OE1 3.18Å; E72-Y74 VanDerWaalsContact C-N 3.28Å; E72-Y74 PolarHBondContact O-N 3.07Å
73S95.9Very high97.6Very high90 Ų9066 Ų6663%0.62934%0.337SS*.THydrogen-bonded Turntrans-72.2-17.9173.263.50000113.9H71H71-S73 WeakPolarHBondContact ND1-CB 3.38Å; H71-S73 PolarHBondContact ND1-N 3.01Å; H71-S73 PolarHBondContact ND1-OG 2.84Å; H71-S73 PolarHBondContact O-N 2.93Å
74Y97.3Very high97.4Very high29 Ų2967.7 Ų67.711%0.11435%0.349CS..SBendtrans-78.6138.8176.5-80.3-90.9000110.7W47 L70 H71 E72 N76 P77 E90 T91 G92 F96W47-Y74 HydrophobicContact CZ2-CE1 4.07Å; W47-Y74 HydrophobicContact CZ2-CE2 4.34Å; W47-Y74 AromaticContact CZ2-CZ 3.74Å; L70-Y74 HydrophobicContact CB-CD2 4.21Å; L70-Y74 HydrophobicContact CB-CG 4.32Å; L70-Y74 HydrophobicContact CD1-CD1 4.25Å; L70-Y74 HydrophobicContact CD1-CG 4.08Å; H71-Y74 HydrophobicContact CB-CD2 4.33Å; H71-Y74 PolarHBondContact O-N 3.45Å; E72-Y74 VanDerWaalsContact C-N 3.28Å; E72-Y74 PolarHBondContact O-N 3.07Å; Y74-N76 PolarHBondContact O-N 3.29Å; Y74-P77 VanDerWaalsContact O-CD 3.31Å; Y74-P77 WeakPolarHBondContact O-CD 3.41Å; Y74-E90 HydrophobicContact CD1-CG 4.41Å; Y74-E90 HydrophobicContact CE1-CB 4.27Å; Y74-E90 HydrophobicContact CE1-CG 4.25Å; Y74-T91 WeakPolarHBondContact CE1-O 3.44Å; Y74-T91 PolarHBondContact OH-O 3.02Å; Y74-G92 WeakPolarHBondContact OH-CA 3.34Å; Y74-F96 HydrophobicContact CD2-CZ 4.2Å; Y74-F96 AromaticContact CE2-CE1 3.65Å; Y74-F96 HydrophobicContact CE2-CE1 3.65Å; Y74-F96 AromaticContact CE2-CZ 3.64Å; Y74-F96 HydrophobicContact CE2-CZ 3.64Å
75V95.9Very high97.2Very high128 Ų12865.9 Ų65.978%0.77635%0.35SS*.SBendtrans-61.5127.5170.1-179.70000108.7R79V75-R79 PolarHBondContact O-NH2 3.44Å
76N96Very high97.2Very high121 Ų12163.4 Ų63.465%0.64734%0.339SS*.SBendtrans55.864.7-178.3-141.64000111.1Y74 L78 R79Y74-N76 PolarHBondContact O-N 3.29Å; N76-L78 PolarHBondContact O-N 2.89Å; N76-L78 VanDerWaalsContact O-N 3.12Å; N76-R79 VanDerWaalsContact O-CD 3.27Å; N76-R79 WeakPolarHBondContact O-CD 3.38Å; N76-R79 PolarHBondContact O-NE 3.41Å
77P97.3Very high97.2Very high28 Ų2867.5 Ų67.518%0.18236%0.358CS..  trans-66.2-20.2-167.526.9-33.8000112.6K69 L70 Y74 R79K69-P77 WeakPolarHBondContact CA-O 3.43Å; L70-P77 HydrophobicContact CB-CB 4.43Å; L70-P77 PolarHBondContact N-O 2.96Å; Y74-P77 VanDerWaalsContact O-CD 3.31Å; Y74-P77 WeakPolarHBondContact O-CD 3.41Å; P77-R79 PolarHBondContact O-N 3.08Å
78L98.4Very high97.1Very high82 Ų8267.2 Ų67.243%0.42936%0.357SS..EExtended strand (participates in β ladder)trans-91.394.6173.5-172.167.5000110.8Q67 K69 N76Q67-L78 HydrophobicContact CB-CD1 4.2Å; K69-L78 HydrophobicContact CB-CD1 4.13Å; N76-L78 PolarHBondContact O-N 2.89Å; N76-L78 VanDerWaalsContact O-N 3.12Å
79R98.3Very high97.1Very high45 Ų4570.3 Ų70.317%0.1738%0.376CS..EExtended strand (participates in β ladder)trans-88.9143.4176.6-53.1-64175.577.5-2.5110.5Q67 F68 L70 V75 N76 P77 I88 E90Q67-R79 CarbonylContact C-O 3.59Å; Q67-R79 VanDerWaalsContact CA-O 3.26Å; Q67-R79 WeakPolarHBondContact CA-O 3.43Å; F68-R79 HydrophobicContact CB-CB 4.38Å; F68-R79 PolarHBondContact N-O 3.24Å; F68-R79 PolarHBondContact O-N 2.5Å; L70-R79 HydrophobicContact CD1-CG 4.1Å; L70-R79 HydrophobicContact CG-CG 4.41Å; V75-R79 PolarHBondContact O-NH2 3.44Å; N76-R79 VanDerWaalsContact O-CD 3.27Å; N76-R79 WeakPolarHBondContact O-CD 3.38Å; N76-R79 PolarHBondContact O-NE 3.41Å; P77-R79 PolarHBondContact O-N 3.08Å; R79-I88 HydrophobicContact CB-CD1 3.76Å; R79-I88 HydrophobicContact CB-CG1 3.94Å; R79-I88 HydrophobicContact CG-CD1 4.32Å; R79-I88 HydrophobicContact CG-CG1 4.44Å; R79-I88 HydrophobicContact CG-CG2 4.34Å; R79-E90 IonicContact CZ-OE1 4Å; R79-E90 VanDerWaalsContact CZ-OE1 3.25Å; R79-E90 IonicContact NH1-OE1 3.51Å; R79-E90 PolarHBondContact NH1-OE1 2.82Å; R79-E90 IonicContact NH2-OE1 3.49Å; R79-E90 PolarHBondContact NH2-OE1 3.4Å
80V98.6Very high97.1Very high71 Ų7168.4 Ų68.443%0.4337%0.368SS..EExtended strand (participates in β ladder)trans-128.8126.1-179.3-173.70000109.6K65 Q67 T82K65-V80 HydrophobicContact CB-CG1 4.03Å; K65-V80 HydrophobicContact CD-CG1 3.81Å; K65-V80 HydrophobicContact CG-CG1 4.41Å; Q67-V80 HydrophobicContact CG-CG1 4.38Å; Q67-V80 HydrophobicContact CG-CG2 4.02Å; V80-T82 HydrophobicContact CG1-CG2 4.31Å
81V98.4Very high97.1Very high21 Ų2169.3 Ų69.313%0.12737%0.374CS..EExtended strand (participates in β ladder)trans-119.3126.9176.6-172.20000109K65 I66 F68 K83 Y86 I88K65-V81 CarbonylContact C-O 3.56Å; K65-V81 WeakPolarHBondContact CA-O 3.18Å; I66-V81 PolarHBondContact N-O 2.88Å; I66-V81 PolarHBondContact O-N 3.05Å; F68-V81 HydrophobicContact CD2-CG2 4.22Å; F68-V81 HydrophobicContact CE2-CB 4.4Å; F68-V81 HydrophobicContact CE2-CG2 3.95Å; V81-K83 VanDerWaalsContact CG1-O 3.26Å; V81-K83 WeakPolarHBondContact CG1-O 3.1Å; V81-Y86 HydrophobicContact CB-CD1 4.29Å; V81-Y86 HydrophobicContact CG1-CD1 3.95Å; V81-I88 HydrophobicContact CG2-CD1 3.54Å; V81-I88 HydrophobicContact CG2-CG1 4.08Å
82T97.3Very high97Very high81 Ų8164.5 Ų64.550%0.49735%0.352SS..  trans-111.7-5.3-174.462.10000113.6K65 V80K65-T82 HydrophobicContact CB-CG2 4.01Å; V80-T82 HydrophobicContact CG1-CG2 4.31Å
83K93.7Very high96.9Very high157 Ų15766.4 Ų66.468%0.68335%0.354SS*.SBendtrans-141.6148.6-178.2-65.3-175-178.2-179.10109.8V81V81-K83 VanDerWaalsContact CG1-O 3.26Å; V81-K83 WeakPolarHBondContact CG1-O 3.1Å
84P92.9Very high96.9Very high39 Ų3963.1 Ų63.125%0.25333%0.334SS..SBendtrans-65.2151.4173.928.1-34.4000111.3Y86 L160P84-Y86 HydrophobicContact CB-CD2 4.17Å; P84-Y86 HydrophobicContact CB-CE2 3.86Å; P84-Y86 HydrophobicContact CG-CE2 4.42Å; P84-L160 HydrophobicContact CB-CD1 4.08Å; P84-L160 HydrophobicContact CB-CD2 4.27Å; P84-L160 HydrophobicContact CG-CD1 3.76Å
85P95.2Very high97Very high88 Ų8865.2 Ų65.257%0.57135%0.345SS*.SBendcis-69.4135.9-629.9-34.4000111.8E87P85-E87 VanDerWaalsContact C-N 3.27Å; P85-E87 HydrophobicContact CB-CG 4.1Å; P85-E87 HydrophobicContact CG-CG 4.17Å; P85-E87 PolarHBondContact O-N 3.24Å
86Y97.9Very high97.1Very high7 Ų760.4 Ų60.43%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-84.575179.6-58.9-83000110.3Y50 V51 M59 S60 V63 I66 F68 V81 P84Y50-Y86 VanDerWaalsContact CA-O 3.27Å; Y50-Y86 WeakPolarHBondContact CA-O 3.35Å; V51-Y86 PolarHBondContact N-O 3.45Å; M59-Y86 HydrophobicContact CB-CE2 3.91Å; S60-Y86 VanDerWaalsContact CA-OH 3.23Å; S60-Y86 WeakPolarHBondContact CA-OH 3.44Å; S60-Y86 WeakPolarHBondContact CB-OH 3.37Å; S60-Y86 PolarHBondContact N-OH 2.73Å; V63-Y86 HydrophobicContact CG1-CE1 4.36Å; I66-Y86 HydrophobicContact CB-CD1 4.23Å; I66-Y86 HydrophobicContact CD1-CD1 3.85Å; I66-Y86 HydrophobicContact CD1-CD2 4.2Å; I66-Y86 HydrophobicContact CD1-CG 3.67Å; I66-Y86 HydrophobicContact CG1-CD1 3.82Å; I66-Y86 HydrophobicContact CG1-CE1 4.3Å; I66-Y86 HydrophobicContact CG1-CG 4.17Å; F68-Y86 WeakPolarHBondContact CZ-O 3.46Å; V81-Y86 HydrophobicContact CB-CD1 4.29Å; V81-Y86 HydrophobicContact CG1-CD1 3.95Å; P84-Y86 HydrophobicContact CB-CD2 4.17Å; P84-Y86 HydrophobicContact CB-CE2 3.86Å; P84-Y86 HydrophobicContact CG-CE2 4.42Å
87E97.9Very high97.2Very high86 Ų8659.7 Ų59.740%0.40231%0.307SS..EExtended strand (participates in β ladder)trans-137.9154.3-176.568-174.9-152.900112.4V49 P85V49-E87 CarbonylContact O-C 3.52Å; V49-E87 WeakPolarHBondContact O-CA 3.31Å; V49-E87 WeakPolarHBondContact O-CB 3.38Å; P85-E87 VanDerWaalsContact C-N 3.27Å; P85-E87 HydrophobicContact CB-CG 4.1Å; P85-E87 HydrophobicContact CG-CG 4.17Å; P85-E87 PolarHBondContact O-N 3.24Å
88I98.1Very high97.3Very high24 Ų2458.4 Ų58.412%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-127.1126.6170.6-63.4-65.5000107.6S48 V49 F68 R79 V81 E90S48-I88 CarbonylContact C-O 3.56Å; S48-I88 VanDerWaalsContact CA-O 3.28Å; S48-I88 WeakPolarHBondContact CA-O 3.33Å; V49-I88 HydrophobicContact CG1-CB 4.04Å; V49-I88 PolarHBondContact N-O 3.27Å; V49-I88 PolarHBondContact O-N 2.88Å; F68-I88 HydrophobicContact CB-CG1 4.29Å; F68-I88 HydrophobicContact CD2-CG1 3.7Å; F68-I88 HydrophobicContact CE2-CG1 4.23Å; F68-I88 HydrophobicContact CG-CG1 4.04Å; R79-I88 HydrophobicContact CB-CD1 3.76Å; R79-I88 HydrophobicContact CB-CG1 3.94Å; R79-I88 HydrophobicContact CG-CD1 4.32Å; R79-I88 HydrophobicContact CG-CG1 4.44Å; R79-I88 HydrophobicContact CG-CG2 4.34Å; V81-I88 HydrophobicContact CG2-CD1 3.54Å; V81-I88 HydrophobicContact CG2-CG1 4.08Å; I88-E90 HydrophobicContact CG2-CG 4.15Å
89T98.4Very high97.3Very high65 Ų6557 Ų5740%0.39929%0.291SS..EExtended strand (participates in β ladder)trans-105.4129.8173.3-62.80000109.6Q46 W47 S48Q46-T89 HydrophobicContact CG-CG2 3.87Å; W47-T89 WeakPolarHBondContact O-CA 3.46Å; S48-T89 PolarHBondContact OG-OG1 3.49Å
90E98.1Very high97.3Very high43 Ų4354.9 Ų54.920%0.20128%0.282CS..EExtended strand (participates in β ladder)trans-145.2175.7-177.6-92.7-64.5175.600110.7Q46 W47 L70 Y74 R79 I88Q46-E90 WeakPolarHBondContact CA-O 3.48Å; W47-E90 HydrophobicContact CD2-CB 4.09Å; W47-E90 HydrophobicContact CE3-CB 4.22Å; W47-E90 HydrophobicContact CH2-CB 3.44Å; W47-E90 VanDerWaalsContact CH2-CB 3.44Å; W47-E90 HydrophobicContact CH2-CG 4.03Å; W47-E90 HydrophobicContact CZ2-CB 3.27Å; W47-E90 HydrophobicContact CZ2-CG 4.16Å; W47-E90 HydrophobicContact CZ3-CB 3.91Å; W47-E90 PolarHBondContact N-O 2.88Å; W47-E90 PolarHBondContact O-N 3.14Å; L70-E90 HydrophobicContact CD1-CG 4.29Å; Y74-E90 HydrophobicContact CD1-CG 4.41Å; Y74-E90 HydrophobicContact CE1-CB 4.27Å; Y74-E90 HydrophobicContact CE1-CG 4.25Å; R79-E90 IonicContact CZ-OE1 4Å; R79-E90 VanDerWaalsContact CZ-OE1 3.25Å; R79-E90 IonicContact NH1-OE1 3.51Å; R79-E90 PolarHBondContact NH1-OE1 2.82Å; R79-E90 IonicContact NH2-OE1 3.49Å; R79-E90 PolarHBondContact NH2-OE1 3.4Å; I88-E90 HydrophobicContact CG2-CG 4.15Å
91T97.9Very high97.3Very high23 Ų2355.2 Ų55.214%0.14128%0.278CS..EExtended strand (participates in β ladder)trans-124.7154.2175.363.30000110.7F34 H43 H45 Q46 Y74F34-T91 HydrophobicContact CE2-CG2 4.49Å; F34-T91 HydrophobicContact CZ-CG2 3.75Å; H43-T91 PolarHBondContact CE1-O 2.78Å; H43-T91 VanDerWaalsContact ND1-C 3.31Å; H43-T91 WeakPolarHBondContact ND1-CB 3.32Å; H43-T91 PolarHBondContact ND1-O 2.82Å; H43-T91 PolarHBondContact ND1-OG1 3.1Å; H45-T91 CarbonylContact O-C 3.51Å; H45-T91 WeakPolarHBondContact O-CA 3.42Å; H45-T91 WeakPolarHBondContact O-CB 3.44Å; Q46-T91 HydrophobicContact CB-CG2 4.15Å; Q46-T91 HydrophobicContact CG-CG2 4.4Å; Y74-T91 WeakPolarHBondContact CE1-O 3.44Å; Y74-T91 PolarHBondContact OH-O 3.02Å
92G96.9Very high97.3Very high1 Ų154.2 Ų54.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-179.3-175.4-177.700000113.2T44 H45 Y74T44-G92 PolarHBondContact N-O 2.96Å; T44-G92 PolarHBondContact OG1-O 3.45Å; H45-G92 PolarHBondContact N-O 2.99Å; H45-G92 PolarHBondContact O-N 3.47Å; Y74-G92 WeakPolarHBondContact OH-CA 3.34Å
93W95.5Very high97.4Very high166 Ų16652.4 Ų52.463%0.62926%0.258SS*.SBendtrans-130.7-15.6-178.555.4-96.8000114.1H43 T44H43-W93 AromaticContact CD2-CD1 3.83Å; T44-W93 HydrophobicContact CG2-CB 4.45Å; T44-W93 WeakPolarHBondContact OG1-CA 3.47Å
94G95.6Very high97.6Very high20 Ų2045.4 Ų45.421%0.20623%0.227CC..  trans-115.3152.1-176.200000112.9L120G94-L120 WeakPolarHBondContact O-CD1 3.31Å
95E98.1Very high97.7Very high74 Ų7445.7 Ų45.735%0.34623%0.226SC..  trans-88.9137.6169.6-63.8-169.6162.400109.3L118 K119 L120 F121E95-L118 WeakPolarHBondContact CA-O 3.47Å; E95-L118 WeakPolarHBondContact CB-O 3.48Å; E95-L118 WeakPolarHBondContact CG-O 3.27Å; E95-K119 WeakPolarHBondContact OE1-CA 3.42Å; E95-L120 HydrophobicContact CG-CB 4.1Å; E95-L120 HydrophobicContact CG-CG 4.08Å; E95-L120 PolarHBondContact OE1-N 3.36Å; E95-F121 HydrophobicContact CG-CD2 4.07Å; E95-F121 HydrophobicContact CG-CE2 4.28Å; E95-F121 WeakPolarHBondContact OE1-CD2 3.41Å; E95-F121 PolarHBondContact OE1-N 3.36Å
96F98.1Very high97.7Very high26 Ų2641.5 Ų41.511%0.11420%0.199CC..  trans-156.2161.1-179.461-88.8000110.7W47 L70 H71 Y74 I98 L118W47-F96 HydrophobicContact CH2-CZ 4.16Å; W47-F96 HydrophobicContact CZ2-CE1 4.3Å; W47-F96 AromaticContact CZ2-CZ 3.93Å; W47-F96 HydrophobicContact CZ2-CZ 3.93Å; L70-F96 HydrophobicContact CB-CE2 4.15Å; L70-F96 HydrophobicContact CB-CZ 4.44Å; L70-F96 HydrophobicContact CD2-CE2 4.43Å; H71-F96 HydrophobicContact CB-CB 4.44Å; H71-F96 HydrophobicContact CB-CD1 4.33Å; H71-F96 HydrophobicContact CB-CD2 3.68Å; H71-F96 HydrophobicContact CB-CE2 3.92Å; H71-F96 HydrophobicContact CB-CG 3.9Å; H71-F96 HydrophobicContact CB-CZ 4.36Å; H71-F96 VanDerWaalsContact N-CE2 3.28Å; Y74-F96 HydrophobicContact CD2-CZ 4.2Å; Y74-F96 AromaticContact CE2-CE1 3.65Å; Y74-F96 HydrophobicContact CE2-CE1 3.65Å; Y74-F96 AromaticContact CE2-CZ 3.64Å; Y74-F96 HydrophobicContact CE2-CZ 3.64Å; F96-I98 HydrophobicContact CD2-CG1 4.01Å; F96-I98 HydrophobicContact CE2-CD1 4.14Å; F96-I98 HydrophobicContact CE2-CG1 3.51Å; F96-I98 HydrophobicContact CZ-CD1 4.39Å; F96-I98 HydrophobicContact CZ-CG1 4.23Å; F96-L118 HydrophobicContact CD1-CD2 4.03Å; F96-L118 HydrophobicContact CE1-CD2 3.51Å; F96-L118 HydrophobicContact CZ-CD2 3.95Å; F96-L118 WeakPolarHBondContact O-CB 3.33Å; F96-L118 PolarHBondContact O-N 3.16Å
97E98.5Very high97.5Very high107 Ų10746.2 Ų46.250%0.523%0.23SC..EExtended strand (participates in β ladder)trans-75.9126.3176.6-172.7-179.48400111.1Y115 H116E97-Y115 HydrophobicContact CG-CD1 4.43Å; E97-Y115 WeakPolarHBondContact OE1-CD1 3.37Å; E97-H116 CarbonylContact C-O 3.52Å
98I98.8Very high97.3Very high0 Ų045.6 Ų45.60%023%0.23CC..EExtended strand (participates in β ladder)trans-101.7124.7170.9-61.9171.7000107.9W47 V49 F68 K69 L70 F96 I100 H116 L118W47-I98 HydrophobicContact CH2-CD1 4.35Å; W47-I98 HydrophobicContact CZ3-CD1 4.08Å; V49-I98 HydrophobicContact CB-CD1 3.98Å; V49-I98 HydrophobicContact CG1-CD1 4.12Å; V49-I98 HydrophobicContact CG2-CD1 3.92Å; V49-I98 HydrophobicContact CG2-CG2 4.35Å; F68-I98 HydrophobicContact CB-CG2 4.42Å; F68-I98 HydrophobicContact CD1-CG2 4.42Å; K69-I98 WeakPolarHBondContact O-CA 3.36Å; L70-I98 HydrophobicContact CD2-CD1 4.1Å; L70-I98 HydrophobicContact CD2-CG1 4.12Å; L70-I98 HydrophobicContact CD2-CG2 4.18Å; F96-I98 HydrophobicContact CD2-CG1 4.01Å; F96-I98 HydrophobicContact CE2-CD1 4.14Å; F96-I98 HydrophobicContact CE2-CG1 3.51Å; F96-I98 HydrophobicContact CZ-CD1 4.39Å; F96-I98 HydrophobicContact CZ-CG1 4.23Å; I98-I100 HydrophobicContact CG2-CG1 4.05Å; I98-H116 PolarHBondContact N-O 2.78Å; I98-H116 PolarHBondContact O-N 3.01Å; I98-L118 HydrophobicContact CD1-CB 3.99Å; I98-L118 HydrophobicContact CD1-CD1 4.03Å; I98-L118 HydrophobicContact CD1-CG 4.42Å; I98-L118 HydrophobicContact CG1-CB 4.46Å
99I98.8Very high97.2Very high53 Ų5345.4 Ų45.427%0.27223%0.228SC..EExtended strand (participates in β ladder)trans-92.5119.6174.3-54.9170.5000108.2K69 T113 Y115K69-I99 HydrophobicContact CB-CB 4.15Å; K69-I99 HydrophobicContact CD-CD1 4.43Å; K69-I99 PolarHBondContact N-O 2.94Å; K69-I99 PolarHBondContact O-N 3.4Å; K69-I99 VanDerWaalsContact O-N 3.15Å; I99-T113 HydrophobicContact CG2-CG2 3.63Å; I99-Y115 HydrophobicContact CD1-CE1 4.23Å; I99-Y115 HydrophobicContact CG1-CD1 3.97Å; I99-Y115 HydrophobicContact CG1-CE1 3.98Å; I99-Y115 HydrophobicContact CG2-CE1 4.3Å
100I98.8Very high97Very high0 Ų052.9 Ų52.90%025%0.249CC..EExtended strand (participates in β ladder)trans-107.9120-178.7-49174.1000108.5F27 V49 V51 I66 Q67 F68 I98 T113 L114 H116F27-I100 HydrophobicContact CB-CD1 4.42Å; F27-I100 HydrophobicContact CD2-CD1 4.06Å; V49-I100 HydrophobicContact CG2-CD1 4.2Å; V51-I100 HydrophobicContact CG2-CD1 4.29Å; V51-I100 HydrophobicContact CG2-CG2 3.57Å; I66-I100 HydrophobicContact CG2-CG2 3.55Å; Q67-I100 CarbonylContact O-C 3.52Å; Q67-I100 VanDerWaalsContact O-CA 3.31Å; Q67-I100 WeakPolarHBondContact O-CA 3.44Å; F68-I100 HydrophobicContact CD1-CB 4.49Å; F68-I100 HydrophobicContact CD1-CD1 4.31Å; F68-I100 HydrophobicContact CD1-CG1 3.9Å; F68-I100 HydrophobicContact CD1-CG2 4.07Å; F68-I100 HydrophobicContact CE1-CD1 4.12Å; F68-I100 HydrophobicContact CE1-CG1 4.12Å; F68-I100 HydrophobicContact CE1-CG2 3.82Å; F68-I100 HydrophobicContact CZ-CG2 4.35Å; I98-I100 HydrophobicContact CG2-CG1 4.05Å; I100-T113 CarbonylContact O-C 3.58Å; I100-T113 WeakPolarHBondContact O-CA 3.3Å; I100-L114 HydrophobicContact CB-CB 4.22Å; I100-L114 PolarHBondContact N-O 3.36Å; I100-L114 PolarHBondContact O-N 2.86Å; I100-H116 HydrophobicContact CD1-CB 4.16Å
101K98.8Very high97Very high79 Ų7952.7 Ų52.734%0.34325%0.252SS..EExtended strand (participates in β ladder)trans-119.8114.5-178.2-164.3172-179.9175.40111.5I66 Q67 F103 P111 V112I66-K101 CarbonylContact C-O 3.48Å; I66-K101 WeakPolarHBondContact CA-O 3.44Å; Q67-K101 HydrophobicContact CB-CB 4.33Å; Q67-K101 PolarHBondContact N-O 2.88Å; Q67-K101 PolarHBondContact O-N 3.31Å; K101-F103 HydrophobicContact CB-CE2 3.94Å; K101-F103 HydrophobicContact CD-CE1 4.47Å; K101-F103 HydrophobicContact CD-CE2 3.75Å; K101-F103 HydrophobicContact CD-CZ 3.56Å; K101-F103 HydrophobicContact CG-CD2 4.28Å; K101-F103 HydrophobicContact CG-CE2 3.58Å; K101-F103 HydrophobicContact CG-CZ 3.88Å; K101-F103 WeakPolarHBondContact O-CD2 3.42Å; K101-P111 HydrophobicContact CG-CB 4.08Å; K101-V112 CarbonylContact C-O 3.55Å; K101-V112 VanDerWaalsContact CA-O 3.32Å; K101-V112 WeakPolarHBondContact CA-O 3.23Å
102I98.7Very high97.1Very high0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-96120.2-177.9-51.1175.8000108.4I25 V51 V63 I66 F104 P111 V112 L114 M141I25-I102 HydrophobicContact CD1-CD1 4.05Å; V51-I102 HydrophobicContact CG1-CD1 4.08Å; V63-I102 HydrophobicContact CG1-CG2 3.95Å; V63-I102 HydrophobicContact CG2-CG2 3.86Å; I66-I102 HydrophobicContact CD1-CG1 4.11Å; I66-I102 HydrophobicContact CD1-CG2 4.37Å; I66-I102 HydrophobicContact CG1-CG1 4.25Å; I66-I102 HydrophobicContact CG1-CG2 4.21Å; I66-I102 HydrophobicContact CG2-CG1 4.36Å; I102-F104 HydrophobicContact CG2-CE1 3.94Å; I102-F104 HydrophobicContact CG2-CZ 4.35Å; I102-P111 CarbonylContact O-C 3.53Å; I102-P111 WeakPolarHBondContact O-CA 3.33Å; I102-P111 WeakPolarHBondContact O-CB 3.21Å; I102-V112 HydrophobicContact CB-CB 4.33Å; I102-V112 PolarHBondContact N-O 3Å; I102-V112 PolarHBondContact O-N 3.24Å; I102-L114 HydrophobicContact CD1-CD1 4.13Å; I102-M141 HydrophobicContact CD1-SD 3.83Å; I102-M141 HydrophobicContact CG2-SD 4.28Å
103F98.6Very high97.1Very high43 Ų4356.1 Ų56.119%0.18927%0.272CS..EExtended strand (participates in β ladder)trans-106137.5176.5-65.7-101000109.7K64 K65 Q67 K101 P111K64-F103 PolarHBondContact N-O 2.98Å; K65-F103 HydrophobicContact CD-CD2 4.39Å; K65-F103 HydrophobicContact CG-CB 3.81Å; K65-F103 HydrophobicContact CG-CD2 3.86Å; K65-F103 HydrophobicContact CG-CG 4.03Å; K65-F103 PolarHBondContact N-O 3.22Å; K65-F103 PolarHBondContact O-N 3.09Å; Q67-F103 HydrophobicContact CB-CE2 4.33Å; Q67-F103 HydrophobicContact CG-CD2 4.2Å; Q67-F103 HydrophobicContact CG-CE2 3.65Å; Q67-F103 VanDerWaalsContact OE1-CE2 3.25Å; K101-F103 HydrophobicContact CB-CE2 3.94Å; K101-F103 HydrophobicContact CD-CE1 4.47Å; K101-F103 HydrophobicContact CD-CE2 3.75Å; K101-F103 HydrophobicContact CD-CZ 3.56Å; K101-F103 HydrophobicContact CG-CD2 4.28Å; K101-F103 HydrophobicContact CG-CE2 3.58Å; K101-F103 HydrophobicContact CG-CZ 3.88Å; K101-F103 WeakPolarHBondContact O-CD2 3.42Å; F103-P111 HydrophobicContact CD1-CB 4.05Å; F103-P111 HydrophobicContact CD1-CG 3.55Å; F103-P111 HydrophobicContact CE1-CB 4.18Å; F103-P111 HydrophobicContact CE1-CG 3.69Å; F103-P111 HydrophobicContact CG-CB 4.38Å; F103-P111 HydrophobicContact CG-CG 4.31Å
104F98.1Very high97.3Very high10 Ų1048.7 Ų48.74%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-91.3159.9-179.9-55.9-61.8000112.1Y62 V63 K64 I102 D106 E109 R110 V112 M141 F143 M150Y62-F104 WeakPolarHBondContact O-CA 3.26Å; V63-F104 HydrophobicContact CG2-CD1 4.37Å; V63-F104 HydrophobicContact CG2-CE1 4.4Å; K64-F104 VanDerWaalsContact CB-O 3.27Å; K64-F104 WeakPolarHBondContact CB-O 3.45Å; I102-F104 HydrophobicContact CG2-CE1 3.94Å; I102-F104 HydrophobicContact CG2-CZ 4.35Å; F104-D106 VanDerWaalsContact C-N 3.29Å; F104-E109 HydrophobicContact CB-CB 4.16Å; F104-E109 HydrophobicContact CD2-CB 3.7Å; F104-E109 HydrophobicContact CG-CB 4.25Å; F104-R110 VanDerWaalsContact CE2-O 3.26Å; F104-R110 WeakPolarHBondContact CE2-O 3.09Å; F104-V112 HydrophobicContact CE2-CG2 3.98Å; F104-V112 HydrophobicContact CZ-CB 4.45Å; F104-V112 HydrophobicContact CZ-CG2 3.75Å; F104-M141 HydrophobicContact CE1-SD 3.94Å; F104-M141 HydrophobicContact CZ-SD 3.96Å; F104-F143 AromaticContact CD1-CE1 3.99Å; F104-F143 HydrophobicContact CD1-CE1 3.99Å; F104-F143 AromaticContact CD1-CZ 3.99Å; F104-F143 HydrophobicContact CD1-CZ 3.99Å; F104-F143 HydrophobicContact CD2-CE1 4.07Å; F104-F143 AromaticContact CE1-CE1 3.75Å; F104-F143 HydrophobicContact CE1-CE1 3.75Å; F104-F143 AromaticContact CE1-CZ 3.44Å; F104-F143 HydrophobicContact CE1-CZ 3.44Å; F104-F143 VanDerWaalsContact CE1-CZ 3.44Å; F104-F143 AromaticContact CE2-CE1 3.78Å; F104-F143 HydrophobicContact CE2-CE1 3.78Å; F104-F143 HydrophobicContact CE2-CZ 4.19Å; F104-F143 HydrophobicContact CG-CE1 4.15Å; F104-F143 AromaticContact CZ-CE1 3.63Å; F104-F143 HydrophobicContact CZ-CE1 3.63Å; F104-F143 AromaticContact CZ-CZ 3.54Å; F104-F143 HydrophobicContact CZ-CZ 3.54Å; F104-M150 HydrophobicContact CB-CE 3.9Å; F104-M150 HydrophobicContact CD1-CE 3.77Å; F104-M150 HydrophobicContact CG-CE 3.82Å
105I96.1Very high97.4Very high44 Ų4454.4 Ų54.423%0.22626%0.261CS..SBendtrans-62.4-42.6174.3-75.1171.3000110.1M5 S60 A61 Y62 K64 P107 M149 L153M5-I105 HydrophobicContact CE-CG2 4.44Å; S60-I105 VanDerWaalsContact O-CD1 3.31Å; S60-I105 WeakPolarHBondContact O-CD1 3.44Å; A61-I105 WeakPolarHBondContact O-CD1 3.27Å; Y62-I105 PolarHBondContact O-N 3.04Å; K64-I105 HydrophobicContact CB-CG1 4.19Å; I105-P107 VanDerWaalsContact O-CD 3.31Å; I105-P107 WeakPolarHBondContact O-CD 3.46Å; I105-M149 HydrophobicContact CG2-CE 3.7Å; I105-L153 HydrophobicContact CB-CD1 3.99Å; I105-L153 HydrophobicContact CD1-CD1 4.48Å; I105-L153 HydrophobicContact CG2-CD1 3.81Å
106D94.8Very high97.4Very high0 Ų050.9 Ų50.90%025%0.245CC..SBendtrans-73.3115.4172.5-166.4-22.4000110.2S12 F104 N108 E109 T147 M150S12-D106 WeakPolarHBondContact CB-OD2 3.5Å; S12-D106 VanDerWaalsContact OG-CG 3.3Å; S12-D106 PolarHBondContact OG-OD1 3.34Å; S12-D106 PolarHBondContact OG-OD2 3.35Å; F104-D106 VanDerWaalsContact C-N 3.29Å; D106-N108 PolarHBondContact O-N 3.41Å; D106-N108 VanDerWaalsContact OD1-CB 3.25Å; D106-N108 WeakPolarHBondContact OD1-CB 3.36Å; D106-N108 PolarHBondContact OD1-N 3.36Å; D106-N108 PolarHBondContact OD1-ND2 2.86Å; D106-E109 HydrophobicContact CB-CG 4.17Å; D106-E109 PolarHBondContact O-N 3.11Å; D106-T147 VanDerWaalsContact OD2-CB 3.3Å; D106-T147 WeakPolarHBondContact OD2-CB 3.32Å; D106-T147 WeakPolarHBondContact OD2-CG2 3.34Å; D106-T147 PolarHBondContact OD2-OG1 2.81Å; D106-M150 HydrophobicContact CB-CB 4.26Å; D106-M150 HydrophobicContact CB-SD 4.26Å
107P93.1Very high97.5Very high106 Ų10654.8 Ų54.869%0.68827%0.266SS*.THydrogen-bonded Turntrans-67.7-16.6178.230.5-36.9000113.4I105I105-P107 VanDerWaalsContact O-CD 3.31Å; I105-P107 WeakPolarHBondContact O-CD 3.46Å
108N93.3Very high97.4Very high74 Ų7449.7 Ų49.740%0.39624%0.242SC..THydrogen-bonded Turntrans-79-9.6177.8-61.8-52.1000112.6S12 R15 D106 T147S12-N108 PolarHBondContact OG-ND2 3.29Å; R15-N108 PolarHBondContact NH2-O 3.23Å; R15-N108 VanDerWaalsContact NH2-O 3.14Å; D106-N108 PolarHBondContact O-N 3.41Å; D106-N108 VanDerWaalsContact OD1-CB 3.25Å; D106-N108 WeakPolarHBondContact OD1-CB 3.36Å; D106-N108 PolarHBondContact OD1-N 3.36Å; D106-N108 PolarHBondContact OD1-ND2 2.86Å; N108-T147 HydrophobicContact CB-CG2 4.2Å
109E95.3Very high97.4Very high20 Ų2052.6 Ų52.69%0.09326%0.255CS..SBendtrans-92.2129.4171.3-61.9-59.6174.600111.6R15 F104 D106 P146 T147 M150R15-E109 IonicContact NH1-OE1 3.34Å; R15-E109 PolarHBondContact NH1-OE1 3.19Å; R15-E109 IonicContact NH1-OE2 3.42Å; R15-E109 IonicContact NH2-OE2 3.27Å; F104-E109 HydrophobicContact CB-CB 4.16Å; F104-E109 HydrophobicContact CD2-CB 3.7Å; F104-E109 HydrophobicContact CG-CB 4.25Å; D106-E109 HydrophobicContact CB-CG 4.17Å; D106-E109 PolarHBondContact O-N 3.11Å; E109-P146 WeakPolarHBondContact OE1-CA 3.35Å; E109-T147 PolarHBondContact OE1-N 2.89Å; E109-M150 HydrophobicContact CG-CB 4.34Å; E109-M150 HydrophobicContact CG-CE 4.41Å; E109-M150 HydrophobicContact CG-CG 3.9Å; E109-M150 HydrophobicContact CG-SD 4.48Å
110R96Very high97.2Very high221 Ų22150.1 Ų50.183%0.83424%0.242SC*.PPolyproline II helixtrans-67134.2-178.1-177177.2174.6156-0.8110.1F104F104-R110 VanDerWaalsContact CE2-O 3.26Å; F104-R110 WeakPolarHBondContact CE2-O 3.09Å
111P98Very high96.8Very high39 Ų3955.1 Ų55.125%0.25326%0.264SS..PPolyproline II helixtrans-58.9142.5174.2-24.934.5000112.6K101 I102 F103K101-P111 HydrophobicContact CG-CB 4.08Å; I102-P111 CarbonylContact O-C 3.53Å; I102-P111 WeakPolarHBondContact O-CA 3.33Å; I102-P111 WeakPolarHBondContact O-CB 3.21Å; F103-P111 HydrophobicContact CD1-CB 4.05Å; F103-P111 HydrophobicContact CD1-CG 3.55Å; F103-P111 HydrophobicContact CE1-CB 4.18Å; F103-P111 HydrophobicContact CE1-CG 3.69Å; F103-P111 HydrophobicContact CG-CB 4.38Å; F103-P111 HydrophobicContact CG-CG 4.31Å
112V98.4Very high96Very high40 Ų4054.9 Ų54.924%0.24227%0.265CS..EExtended strand (participates in β ladder)trans-88.4136172.2172.10000109.1K101 I102 F104 L114 M141K101-V112 CarbonylContact C-O 3.55Å; K101-V112 VanDerWaalsContact CA-O 3.32Å; K101-V112 WeakPolarHBondContact CA-O 3.23Å; I102-V112 HydrophobicContact CB-CB 4.33Å; I102-V112 PolarHBondContact N-O 3Å; I102-V112 PolarHBondContact O-N 3.24Å; F104-V112 HydrophobicContact CE2-CG2 3.98Å; F104-V112 HydrophobicContact CZ-CB 4.45Å; F104-V112 HydrophobicContact CZ-CG2 3.75Å; V112-L114 HydrophobicContact CG1-CD2 4Å; V112-L114 HydrophobicContact CG1-CG 4.26Å; V112-M141 HydrophobicContact CG2-CG 4.29Å
113T98.6Very high94.7Very high56 Ų5659.3 Ų59.334%0.34430%0.296SS..EExtended strand (participates in β ladder)trans-117.8126.3176-54.30000109.1I99 I100 Y115I99-T113 HydrophobicContact CG2-CG2 3.63Å; I100-T113 CarbonylContact O-C 3.58Å; I100-T113 WeakPolarHBondContact O-CA 3.3Å; T113-Y115 HydrophobicContact CG2-CE1 4.49Å; T113-Y115 HydrophobicContact CG2-CE2 3.82Å
114L98.6Very high93Very high10 Ų1062.6 Ų62.65%0.05232%0.315CS..EExtended strand (participates in β ladder)trans-116149.8174.8-49.4168.8000108.9I25 F27 I100 I102 V112 D139I25-L114 HydrophobicContact CD1-CD1 3.81Å; F27-L114 HydrophobicContact CB-CD1 4.11Å; F27-L114 HydrophobicContact CD1-CD1 3.77Å; F27-L114 HydrophobicContact CD2-CB 4.36Å; F27-L114 HydrophobicContact CD2-CD1 4.28Å; F27-L114 HydrophobicContact CE1-CD1 4.22Å; F27-L114 HydrophobicContact CE1-CD2 4.32Å; F27-L114 HydrophobicContact CE2-CB 4.19Å; F27-L114 HydrophobicContact CG-CD1 3.79Å; F27-L114 HydrophobicContact CZ-CB 4.33Å; I100-L114 HydrophobicContact CB-CB 4.22Å; I100-L114 PolarHBondContact N-O 3.36Å; I100-L114 PolarHBondContact O-N 2.86Å; I102-L114 HydrophobicContact CD1-CD1 4.13Å; V112-L114 HydrophobicContact CG1-CD2 4Å; V112-L114 HydrophobicContact CG1-CG 4.26Å; L114-D139 WeakPolarHBondContact CD2-OD2 3.35Å
115Y98.5Very high90.8Very high140 Ų14068.4 Ų68.455%0.54936%0.357SS..EExtended strand (participates in β ladder)trans-119.9120.1178.1-61.6-92.8000107.9E97 I99 T113E97-Y115 HydrophobicContact CG-CD1 4.43Å; E97-Y115 WeakPolarHBondContact OE1-CD1 3.37Å; I99-Y115 HydrophobicContact CD1-CE1 4.23Å; I99-Y115 HydrophobicContact CG1-CD1 3.97Å; I99-Y115 HydrophobicContact CG1-CE1 3.98Å; I99-Y115 HydrophobicContact CG2-CE1 4.3Å; T113-Y115 HydrophobicContact CG2-CE1 4.49Å; T113-Y115 HydrophobicContact CG2-CE2 3.82Å
116H98.5Very high88.8Confident0 Ų069.5 Ų69.50%037%0.368CS..EExtended strand (participates in β ladder)trans-125.3118.1-177.5-179.659.6000110.4F27 N29 E97 I98 I100 L118 S135 F137F27-H116 HydrophobicContact CD2-CB 4.08Å; F27-H116 HydrophobicContact CE2-CB 3.99Å; N29-H116 PolarHBondContact N-NE2 2.95Å; N29-H116 PolarHBondContact OD1-NE2 3.39Å; E97-H116 CarbonylContact C-O 3.52Å; I98-H116 PolarHBondContact N-O 2.78Å; I98-H116 PolarHBondContact O-N 3.01Å; I100-H116 HydrophobicContact CD1-CB 4.16Å; H116-L118 PolarHBondContact O-N 2.97Å; H116-S135 PolarHBondContact CE1-O 2.74Å; H116-F137 AromaticContact CE1-CE2 3.86Å; H116-F137 AromaticContact ND1-CD2 3.83Å; H116-F137 AromaticContact ND1-CE2 3.67Å
117L98.4Very high86.9Confident108 Ų10874.5 Ų74.557%0.56541%0.41SS*.EExtended strand (participates in β ladder)trans-76.9111.1170.7-174.665.8000108.9K119L117-K119 PolarHBondContact O-N 3.31Å
118L98.3Very high85Confident0 Ų076.7 Ų76.70%041%0.413CS..  trans-58.2120177.9179.172000109.9N29 W47 E95 F96 I98 H116 L120N29-L118 HydrophobicContact CB-CD1 3.77Å; N29-L118 VanDerWaalsContact CG-CD1 3.48Å; W47-L118 HydrophobicContact CB-CD1 4.11Å; W47-L118 HydrophobicContact CD2-CD1 3.8Å; W47-L118 HydrophobicContact CD2-CD2 3.79Å; W47-L118 HydrophobicContact CD2-CG 4.46Å; W47-L118 HydrophobicContact CE3-CD1 3.75Å; W47-L118 HydrophobicContact CE3-CD2 4.32Å; W47-L118 HydrophobicContact CG-CD1 3.98Å; W47-L118 HydrophobicContact CG-CD2 4.02Å; W47-L118 HydrophobicContact CZ2-CD2 4.11Å; W47-L118 HydrophobicContact CZ3-CD1 4.42Å; E95-L118 WeakPolarHBondContact CA-O 3.47Å; E95-L118 WeakPolarHBondContact CB-O 3.48Å; E95-L118 WeakPolarHBondContact CG-O 3.27Å; F96-L118 HydrophobicContact CD1-CD2 4.03Å; F96-L118 HydrophobicContact CE1-CD2 3.51Å; F96-L118 HydrophobicContact CZ-CD2 3.95Å; F96-L118 WeakPolarHBondContact O-CB 3.33Å; F96-L118 PolarHBondContact O-N 3.16Å; I98-L118 HydrophobicContact CD1-CB 3.99Å; I98-L118 HydrophobicContact CD1-CD1 4.03Å; I98-L118 HydrophobicContact CD1-CG 4.42Å; I98-L118 HydrophobicContact CG1-CB 4.46Å; H116-L118 PolarHBondContact O-N 2.97Å; L118-L120 HydrophobicContact CD1-CD2 4.48Å; L118-L120 HydrophobicContact CD2-CD2 4.07Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L118-L120 HydrophobicContact CG-CD2 4.08Å; L118-L120 HydrophobicContact CG-CG 4.45Å
119K97.1Very high83.2Confident61 Ų6178.4 Ų78.427%0.26543%0.428SS..  trans-103.7120.1179.5-162.4179.4-175.866.30110.9N29 E95 L117 F121 V133N29-K119 PolarHBondContact ND2-O 3.19Å; N29-K119 PolarHBondContact OD1-N 3.06Å; E95-K119 WeakPolarHBondContact OE1-CA 3.42Å; L117-K119 PolarHBondContact O-N 3.31Å; K119-F121 VanDerWaalsContact CE-O 3.28Å; K119-F121 WeakPolarHBondContact CE-O 3.3Å; K119-V133 HydrophobicContact CB-CG1 4.33Å; K119-V133 HydrophobicContact CD-CG1 4.08Å; K119-V133 HydrophobicContact CG-CG1 3.93Å
120L95.3Very high81.7Confident1 Ų184.9 Ų84.91%0.00546%0.456CS..  trans-108.4-30.7177.3-59.5-173.8000111.9A31 H45 W47 G94 E95 L118 V133A31-L120 HydrophobicContact CB-CD2 3.68Å; H45-L120 HydrophobicContact CB-CD1 4.27Å; H45-L120 HydrophobicContact CB-CD2 4.02Å; H45-L120 PolarHBondContact NE2-O 3.11Å; W47-L120 HydrophobicContact CB-CD2 3.89Å; W47-L120 HydrophobicContact CG-CD2 4Å; G94-L120 WeakPolarHBondContact O-CD1 3.31Å; E95-L120 HydrophobicContact CG-CB 4.1Å; E95-L120 HydrophobicContact CG-CG 4.08Å; E95-L120 PolarHBondContact OE1-N 3.36Å; L118-L120 HydrophobicContact CD1-CD2 4.48Å; L118-L120 HydrophobicContact CD2-CD2 4.07Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L118-L120 HydrophobicContact CG-CD2 4.08Å; L118-L120 HydrophobicContact CG-CG 4.45Å; L120-V133 VanDerWaalsContact O-CG2 3.3Å; L120-V133 WeakPolarHBondContact O-CG2 3.36Å
121F90.9Very high80.8Confident106 Ų10683 Ų8347%0.46545%0.454SS..SBendtrans-106.5148.6-173.4-54.7-79.4000112.4H45 E95 K119H45-F121 AromaticContact CE1-CE1 3.63Å; E95-F121 HydrophobicContact CG-CD2 4.07Å; E95-F121 HydrophobicContact CG-CE2 4.28Å; E95-F121 WeakPolarHBondContact OE1-CD2 3.41Å; E95-F121 PolarHBondContact OE1-N 3.36Å; K119-F121 VanDerWaalsContact CE-O 3.28Å; K119-F121 WeakPolarHBondContact CE-O 3.3Å
122Q82.4Confident80.4Confident74 Ų7484.1 Ų84.135%0.34646%0.46SS..  trans-73.9138.1174.7-68.71762.100110.2K130 V133Q122-K130 VanDerWaalsContact NE2-CB 3.34Å; Q122-K130 PolarHBondContact NE2-O 2.95Å; Q122-V133 HydrophobicContact CG-CG2 3.64Å
123S69.8Low80.1Confident93 Ų9383 Ų8365%0.6545%0.453SS*.SBendtrans-80.3-16.9174.6500000113.4
124D63.1Low79.9Confident112 Ų11282.8 Ų82.860%0.59945%0.452SS*.  trans-116.9131.5-164.5-63.87.5000111.7S126D124-S126 PolarHBondContact O-N 2.99Å
125S52.7Low79.8Confident131 Ų13183.2 Ų83.292%0.91646%0.455SS*.  trans-72.735.9170.565.60000112.7A127S125-A127 PolarHBondContact O-N 3.32Å
126S54.9Low79.7Confident67 Ų6777.2 Ų77.247%0.46943%0.432SS..  trans-67.3132.6175.7580000109.2D124 M128D124-S126 PolarHBondContact O-N 2.99Å; S126-M128 PolarHBondContact O-N 3.34Å
127A53.5Low79.5Confident106 Ų10682.1 Ų82.188%0.87645%0.454SS*.SBendtrans-60.3-1.5-172.600000115.7S125S125-A127 PolarHBondContact O-N 3.32Å
128M53.8Low79.5Confident152 Ų15281.5 Ų81.575%0.74944%0.444SS*.SBendtrans-121.9112.7172.2-65.5-134.9-6200110.1S126 K130S126-M128 PolarHBondContact O-N 3.34Å; M128-K130 PolarHBondContact O-N 2.97Å
129P56.3Low79.4Confident110 Ų11084.7 Ų84.771%0.71446%0.462SS*.  trans-63.6111.9173.723.9-30000108.8K131P129-K131 PolarHBondContact O-N 3.11Å
130K63.7Low79.4Confident155 Ų15585.7 Ų85.767%0.67447%0.467SS*.  trans-61.5136.2168.8-66.1-179.4176.4-179.80107.6Q122 M128 T132Q122-K130 VanDerWaalsContact NE2-CB 3.34Å; Q122-K130 PolarHBondContact NE2-O 2.95Å; M128-K130 PolarHBondContact O-N 2.97Å; K130-T132 PolarHBondContact O-N 3.47Å
131K75.8Confident79.5Confident183 Ų18385.9 Ų85.980%0.79647%0.468SS*.SBendtrans-68.3-20.6178.4-73.8-177.1178.5176.60112.9P129P129-K131 PolarHBondContact O-N 3.11Å
132T89.3Confident79.8Confident62 Ų6285 Ų8538%0.3847%0.467SS..EExtended strand (participates in β ladder)trans-128.4132.1-176-49.90000109.6V30 A31 K130 V134V30-T132 HydrophobicContact CB-CG2 4.13Å; A31-T132 CarbonylContact O-C 3.51Å; A31-T132 VanDerWaalsContact O-CA 3.29Å; A31-T132 WeakPolarHBondContact O-CA 3.44Å; A31-T132 WeakPolarHBondContact O-CG2 3.26Å; K130-T132 PolarHBondContact O-N 3.47Å; T132-V134 HydrophobicContact CG2-CG2 4.38Å
133V93.5Very high80.5Confident16 Ų1681.8 Ų81.810%0.09745%0.452CS..EExtended strand (participates in β ladder)trans-91.2134168177.60000107.9V30 A31 K119 L120 Q122V30-V133 CarbonylContact C-O 3.52Å; V30-V133 VanDerWaalsContact CA-O 3.23Å; V30-V133 WeakPolarHBondContact CA-O 3.26Å; A31-V133 HydrophobicContact CB-CB 4.35Å; A31-V133 PolarHBondContact N-O 3.07Å; A31-V133 PolarHBondContact O-N 2.77Å; K119-V133 HydrophobicContact CB-CG1 4.33Å; K119-V133 HydrophobicContact CD-CG1 4.08Å; K119-V133 HydrophobicContact CG-CG1 3.93Å; L120-V133 VanDerWaalsContact O-CG2 3.3Å; L120-V133 WeakPolarHBondContact O-CG2 3.36Å; Q122-V133 HydrophobicContact CG-CG2 3.64Å
134V94.5Very high81.9Confident52 Ų5282.8 Ų82.832%0.31545%0.447SS..EExtended strand (participates in β ladder)trans-124.6129.6178.4-1800000107.2V30 T132 E136 E168V30-V134 HydrophobicContact CG1-CG2 4.12Å; T132-V134 HydrophobicContact CG2-CG2 4.38Å; V134-E136 HydrophobicContact CG1-CG 3.95Å; V134-E168 HydrophobicContact CB-CB 4.36Å; V134-E168 HydrophobicContact CG1-CB 3.41Å; V134-E168 VanDerWaalsContact CG1-CB 3.41Å; V134-E168 HydrophobicContact CG1-CG 4.33Å; V134-E168 HydrophobicContact CG2-CB 4.01Å
135S95.8Very high83.4Confident19 Ų1979.6 Ų79.613%0.13343%0.43CS..EExtended strand (participates in β ladder)trans-137.394.7171.8-170.70000108.4G28 N29 H116G28-S135 CarbonylContact C-O 3.58Å; G28-S135 WeakPolarHBondContact CA-O 3.39Å; N29-S135 PolarHBondContact N-O 3.32Å; N29-S135 PolarHBondContact O-N 3.32Å; H116-S135 PolarHBondContact CE1-O 2.74Å
136E95.6Very high85.5Confident14 Ų1473.3 Ų73.37%0.06539%0.386CS..EExtended strand (participates in β ladder)trans-118.2149.2178.7-64.2-178.912600111.4V26 F27 Y50 K52 V134 E168 T169 F171V26-E136 HydrophobicContact CG1-CB 3.89Å; V26-E136 HydrophobicContact CG1-CG 4.16Å; F27-E136 CarbonylContact O-C 3.51Å; F27-E136 WeakPolarHBondContact O-CA 3.41Å; Y50-E136 HydrophobicContact CE2-CG 4.06Å; Y50-E136 WeakPolarHBondContact CE2-OE1 3.44Å; Y50-E136 VanDerWaalsContact CZ-OE1 3.26Å; Y50-E136 WeakPolarHBondContact OH-CG 3.37Å; Y50-E136 PolarHBondContact OH-OE1 3.25Å; K52-E136 WeakPolarHBondContact CE-OE1 3.22Å; K52-E136 IonicContact NZ-OE1 3.52Å; K52-E136 PolarHBondContact NZ-OE1 3.01Å; V134-E136 HydrophobicContact CG1-CG 3.95Å; E136-E168 WeakPolarHBondContact OE2-CA 3.11Å; E136-E168 WeakPolarHBondContact OE2-CB 3.21Å; E136-E168 PolarHBondContact OE2-N 2.88Å; E136-T169 WeakPolarHBondContact OE2-CB 3.31Å; E136-T169 PolarHBondContact OE2-N 3.28Å; E136-T169 PolarHBondContact OE2-OG1 2.69Å; E136-F171 HydrophobicContact CB-CZ 3.95Å
137F95.9Very high87.5Confident102 Ų10270.3 Ų70.345%0.44736%0.364SS..EExtended strand (participates in β ladder)trans-129.5143.4177.6-61.4-85.7000109.9V26 F27 H116V26-F137 VanDerWaalsContact CA-O 3.3Å; V26-F137 WeakPolarHBondContact CA-O 3.29Å; F27-F137 HydrophobicContact CD1-CB 4.23Å; F27-F137 HydrophobicContact CE1-CB 3.73Å; F27-F137 HydrophobicContact CE2-CB 4.36Å; F27-F137 HydrophobicContact CE2-CD2 4.28Å; F27-F137 HydrophobicContact CZ-CB 3.8Å; F27-F137 HydrophobicContact CZ-CD2 4.41Å; F27-F137 HydrophobicContact CZ-CG 4.34Å; F27-F137 PolarHBondContact N-O 3.44Å; F27-F137 PolarHBondContact O-N 2.91Å; H116-F137 AromaticContact CE1-CE2 3.86Å; H116-F137 AromaticContact ND1-CD2 3.83Å; H116-F137 AromaticContact ND1-CE2 3.67Å
138Y96.5Very high89.4Confident95 Ų9566.5 Ų66.537%0.37333%0.333SS..EExtended strand (participates in β ladder)trans-90.4138.8170175.4-88000109.3P24 Y54 E140P24-Y138 HydrophobicContact CB-CE2 3.67Å; P24-Y138 VanDerWaalsContact CB-OH 3.27Å; P24-Y138 WeakPolarHBondContact CB-OH 3.28Å; Y54-Y138 HydrophobicContact CD1-CE2 4.18Å; Y54-Y138 AromaticContact CD2-CD2 3.75Å; Y54-Y138 HydrophobicContact CD2-CD2 3.75Å; Y54-Y138 AromaticContact CD2-CE2 3.83Å; Y54-Y138 HydrophobicContact CD2-CE2 3.83Å; Y54-Y138 HydrophobicContact CE2-CD2 4.17Å; Y54-Y138 HydrophobicContact CE2-CE2 4.26Å; Y54-Y138 HydrophobicContact CG-CD2 4.14Å; Y54-Y138 AromaticContact CG-CE2 3.78Å; Y54-Y138 HydrophobicContact CG-CE2 3.78Å; Y138-E140 HydrophobicContact CE1-CG 3.62Å; Y138-E140 WeakPolarHBondContact OH-CG 3.47Å; Y138-E140 PolarHBondContact OH-OE1 3.11Å
139D97.1Very high91.3Very high68 Ų6859.9 Ų59.936%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-149.2168.3172.3-152.8-15.6000110.8P24 I25 F27 L114P24-D139 CarbonylContact C-O 3.58Å; P24-D139 WeakPolarHBondContact CA-O 3.09Å; I25-D139 HydrophobicContact CD1-CB 4.45Å; I25-D139 HydrophobicContact CG1-CB 4.1Å; I25-D139 WeakPolarHBondContact CG1-O 3.47Å; I25-D139 PolarHBondContact N-O 3.44Å; I25-D139 PolarHBondContact O-N 2.97Å; F27-D139 HydrophobicContact CD1-CB 4.34Å; F27-D139 HydrophobicContact CE1-CB 3.97Å; L114-D139 WeakPolarHBondContact CD2-OD2 3.35Å
140E97.5Very high93.2Very high82 Ų8254.6 Ų54.638%0.38327%0.267SS..EExtended strand (participates in β ladder)trans-128118-176.9-71.1-175.5173.100111.3V22 P24 Y138 I142V22-E140 HydrophobicContact CG1-CB 3.83Å; V22-E140 HydrophobicContact CG1-CG 3.87Å; P24-E140 HydrophobicContact CB-CG 4.34Å; Y138-E140 HydrophobicContact CE1-CG 3.62Å; Y138-E140 WeakPolarHBondContact OH-CG 3.47Å; Y138-E140 PolarHBondContact OH-OE1 3.11Å; E140-I142 HydrophobicContact CB-CD1 3.89Å; E140-I142 PolarHBondContact O-N 3.49Å
141M97.5Very high94.7Very high4 Ų450.1 Ų50.12%0.0225%0.248CC..EExtended strand (participates in β ladder)trans-79.4115.3168.8-60.2-177.6-60.700109.2K23 I25 M59 Y62 I102 F104 V112 F143K23-M141 HydrophobicContact CB-CB 4.25Å; K23-M141 HydrophobicContact CB-CE 3.74Å; K23-M141 PolarHBondContact N-O 2.73Å; K23-M141 PolarHBondContact O-N 3.04Å; I25-M141 HydrophobicContact CD1-CG 4Å; I25-M141 HydrophobicContact CD1-SD 4.33Å; I25-M141 HydrophobicContact CG1-CG 4.49Å; I25-M141 HydrophobicContact CG2-CE 3.63Å; I25-M141 HydrophobicContact CG2-SD 4.38Å; M59-M141 HydrophobicContact CE-CE 3.92Å; Y62-M141 HydrophobicContact CE2-CE 3.85Å; I102-M141 HydrophobicContact CD1-SD 3.83Å; I102-M141 HydrophobicContact CG2-SD 4.28Å; F104-M141 HydrophobicContact CE1-SD 3.94Å; F104-M141 HydrophobicContact CZ-SD 3.96Å; V112-M141 HydrophobicContact CG2-CG 4.29Å; M141-F143 HydrophobicContact CB-CE2 3.81Å; M141-F143 HydrophobicContact CB-CZ 4.17Å
142I97.4Very high95.5Very high88 Ų8843.8 Ų43.845%0.45122%0.221SC..EExtended strand (participates in β ladder)trans-98.7118.8-178.7-47.8-59.9000109.9T20 V22 E140T20-I142 HydrophobicContact CG2-CG2 3.79Å; V22-I142 HydrophobicContact CB-CD1 4.27Å; V22-I142 HydrophobicContact CG1-CD1 3.86Å; V22-I142 HydrophobicContact CG2-CD1 3.7Å; E140-I142 HydrophobicContact CB-CD1 3.89Å; E140-I142 PolarHBondContact O-N 3.49Å
143F97.4Very high95.8Very high7 Ų742.7 Ų42.73%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-104.294.2172.8-58.3-88.8000108.6T20 I21 K23 F104 M141 P146 M150 L154T20-F143 WeakPolarHBondContact CA-O 3.26Å; I21-F143 HydrophobicContact CB-CB 4.43Å; I21-F143 PolarHBondContact N-O 2.95Å; I21-F143 PolarHBondContact O-N 3.17Å; K23-F143 HydrophobicContact CB-CE2 4.07Å; K23-F143 HydrophobicContact CG-CD2 4.31Å; K23-F143 HydrophobicContact CG-CE2 3.8Å; F104-F143 AromaticContact CD1-CE1 3.99Å; F104-F143 HydrophobicContact CD1-CE1 3.99Å; F104-F143 AromaticContact CD1-CZ 3.99Å; F104-F143 HydrophobicContact CD1-CZ 3.99Å; F104-F143 HydrophobicContact CD2-CE1 4.07Å; F104-F143 AromaticContact CE1-CE1 3.75Å; F104-F143 HydrophobicContact CE1-CE1 3.75Å; F104-F143 AromaticContact CE1-CZ 3.44Å; F104-F143 HydrophobicContact CE1-CZ 3.44Å; F104-F143 VanDerWaalsContact CE1-CZ 3.44Å; F104-F143 AromaticContact CE2-CE1 3.78Å; F104-F143 HydrophobicContact CE2-CE1 3.78Å; F104-F143 HydrophobicContact CE2-CZ 4.19Å; F104-F143 HydrophobicContact CG-CE1 4.15Å; F104-F143 AromaticContact CZ-CE1 3.63Å; F104-F143 HydrophobicContact CZ-CE1 3.63Å; F104-F143 AromaticContact CZ-CZ 3.54Å; F104-F143 HydrophobicContact CZ-CZ 3.54Å; M141-F143 HydrophobicContact CB-CE2 3.81Å; M141-F143 HydrophobicContact CB-CZ 4.17Å; F143-P146 HydrophobicContact CB-CB 4.25Å; F143-M150 HydrophobicContact CD1-CE 3.71Å; F143-M150 HydrophobicContact CD1-CG 4.41Å; F143-M150 HydrophobicContact CE1-CE 3.16Å; F143-M150 HydrophobicContact CZ-CE 3.7Å; F143-L154 HydrophobicContact CB-CD1 3.8Å; F143-L154 HydrophobicContact CD1-CD1 3.99Å; F143-L154 HydrophobicContact CD2-CD1 3.71Å; F143-L154 HydrophobicContact CD2-CD2 3.82Å; F143-L154 HydrophobicContact CD2-CG 4.45Å; F143-L154 HydrophobicContact CE1-CD2 4.47Å; F143-L154 HydrophobicContact CE2-CD1 4.28Å; F143-L154 HydrophobicContact CE2-CD2 3.58Å; F143-L154 HydrophobicContact CG-CD1 3.54Å; F143-L154 HydrophobicContact CG-CD2 4.36Å; F143-L154 HydrophobicContact CZ-CD2 3.93Å
144Q97.3Very high95.8Very high114 Ų11442 Ų4253%0.53321%0.209SC..EExtended strand (participates in β ladder)trans-86.3124.7176-174.19231.700109.5
145D96.6Very high95.6Very high44 Ų4443.9 Ų43.924%0.23522%0.22CC..SBendtrans46.858.4-176.4-57.4-33.9000111.8R15 V16 K17 G18 V19R15-D145 HydrophobicContact CB-CB 4.46Å; R15-D145 WeakPolarHBondContact CB-O 3.43Å; R15-D145 WeakPolarHBondContact CD-O 3.34Å; R15-D145 WeakPolarHBondContact CG-O 3.29Å; R15-D145 PolarHBondContact NH1-O 3.36Å; V16-D145 WeakPolarHBondContact O-CA 3.49Å; K17-D145 WeakPolarHBondContact CA-OD1 3.48Å; G18-D145 PolarHBondContact N-OD1 3.2Å; V19-D145 PolarHBondContact N-OD1 3.38Å; V19-D145 WeakPolarHBondContact O-CA 3.24Å; V19-D145 PolarHBondContact O-N 2.78Å
146P96.5Very high95.3Very high0 Ų045.9 Ų45.90%023%0.232CC..  trans-61.9157.6-17827.5-33.6000110.4V16 V19 I21 E109 F143 M150 Q151 L154V16-P146 PolarHBondContact N-O 2.77Å; V19-P146 HydrophobicContact CG1-CG 4.21Å; V19-P146 VanDerWaalsContact O-CD 3.28Å; V19-P146 WeakPolarHBondContact O-CD 3.33Å; I21-P146 HydrophobicContact CD1-CG 4.3Å; E109-P146 WeakPolarHBondContact OE1-CA 3.35Å; F143-P146 HydrophobicContact CB-CB 4.25Å; P146-M150 HydrophobicContact CB-CB 4.18Å; P146-M150 HydrophobicContact CB-CG 4.27Å; P146-Q151 HydrophobicContact CG-CB 4.14Å; P146-Q151 HydrophobicContact CG-CG 4.5Å; P146-L154 HydrophobicContact CB-CD1 4.45Å
147T95.9Very high94.6Very high3 Ų346.5 Ų46.52%0.01824%0.237CC..BIsolated β-bridgetrans-60.7154.9169.374.60000110.7G14 D106 N108 E109 M149 M150 Q151G14-T147 CarbonylContact O-C 3.49Å; G14-T147 VanDerWaalsContact O-CA 3.24Å; G14-T147 WeakPolarHBondContact O-CA 3.4Å; D106-T147 VanDerWaalsContact OD2-CB 3.3Å; D106-T147 WeakPolarHBondContact OD2-CB 3.32Å; D106-T147 WeakPolarHBondContact OD2-CG2 3.34Å; D106-T147 PolarHBondContact OD2-OG1 2.81Å; N108-T147 HydrophobicContact CB-CG2 4.2Å; E109-T147 PolarHBondContact OE1-N 2.89Å; T147-M149 PolarHBondContact O-N 2.93Å; T147-M150 PolarHBondContact O-N 2.85Å; T147-M150 VanDerWaalsContact O-N 3.08Å; T147-M150 VanDerWaalsContact OG1-CB 3.24Å; T147-M150 WeakPolarHBondContact OG1-CB 3.33Å; T147-M150 PolarHBondContact OG1-N 2.8Å; T147-Q151 WeakPolarHBondContact O-CB 3.41Å; T147-Q151 PolarHBondContact O-N 2.82Å
148A93.8Very high94.1Very high27 Ų2750.8 Ų50.822%0.22325%0.251CS..Hα-helixtrans-57.3-37177.600000112F8 S12 G14 V16 Q152F8-A148 HydrophobicContact CD1-CB 4.42Å; F8-A148 HydrophobicContact CE1-CB 4.24Å; S12-A148 PolarHBondContact O-N 2.61Å; G14-A148 PolarHBondContact O-N 2.81Å; V16-A148 HydrophobicContact CG2-CB 4.03Å; A148-Q152 PolarHBondContact O-N 2.79Å
149M93.6Very high93.4Very high12 Ų1253 Ų536%0.05926%0.264CS..Hα-helixtrans-63.1-51.6172.7-179177.8152.400111.5M5 F8 S12 I105 T147 Q151 Q152 L153M5-M149 HydrophobicContact CE-CE 4.04Å; M5-M149 HydrophobicContact CG-CE 3.81Å; M5-M149 HydrophobicContact SD-CE 4.31Å; F8-M149 HydrophobicContact CB-CB 4.29Å; F8-M149 HydrophobicContact CD1-CB 3.85Å; F8-M149 HydrophobicContact CD2-CB 4.02Å; F8-M149 HydrophobicContact CD2-CG 4.03Å; F8-M149 HydrophobicContact CD2-SD 4.36Å; F8-M149 HydrophobicContact CE1-CB 4.13Å; F8-M149 HydrophobicContact CE2-CB 4.29Å; F8-M149 HydrophobicContact CE2-CG 4.23Å; F8-M149 HydrophobicContact CG-CB 3.79Å; F8-M149 HydrophobicContact CG-CG 4.28Å; F8-M149 HydrophobicContact CZ-CB 4.34Å; S12-M149 WeakPolarHBondContact O-CB 3.33Å; S12-M149 PolarHBondContact O-N 2.94Å; I105-M149 HydrophobicContact CG2-CE 3.7Å; T147-M149 PolarHBondContact O-N 2.93Å; M149-Q151 VanDerWaalsContact C-N 3.31Å; M149-Q151 PolarHBondContact O-N 2.83Å; M149-Q152 WeakPolarHBondContact O-CB 3.44Å; M149-Q152 PolarHBondContact O-N 3.15Å; M149-Q152 VanDerWaalsContact O-N 3.11Å; M149-L153 HydrophobicContact CE-CD1 3.84Å; M149-L153 HydrophobicContact CG-CD1 4.37Å; M149-L153 WeakPolarHBondContact O-CG 3.26Å; M149-L153 PolarHBondContact O-N 2.86Å
150M95.5Very high92.5Very high0 Ų053 Ų530%026%0.264CS..Hα-helixtrans-63.3-39.3-177.9-173.161.416800111.5F104 D106 E109 F143 P146 T147 Q152 L153 L154F104-M150 HydrophobicContact CB-CE 3.9Å; F104-M150 HydrophobicContact CD1-CE 3.77Å; F104-M150 HydrophobicContact CG-CE 3.82Å; D106-M150 HydrophobicContact CB-CB 4.26Å; D106-M150 HydrophobicContact CB-SD 4.26Å; E109-M150 HydrophobicContact CG-CB 4.34Å; E109-M150 HydrophobicContact CG-CE 4.41Å; E109-M150 HydrophobicContact CG-CG 3.9Å; E109-M150 HydrophobicContact CG-SD 4.48Å; F143-M150 HydrophobicContact CD1-CE 3.71Å; F143-M150 HydrophobicContact CD1-CG 4.41Å; F143-M150 HydrophobicContact CE1-CE 3.16Å; F143-M150 HydrophobicContact CZ-CE 3.7Å; P146-M150 HydrophobicContact CB-CB 4.18Å; P146-M150 HydrophobicContact CB-CG 4.27Å; T147-M150 PolarHBondContact O-N 2.85Å; T147-M150 VanDerWaalsContact O-N 3.08Å; T147-M150 VanDerWaalsContact OG1-CB 3.24Å; T147-M150 WeakPolarHBondContact OG1-CB 3.33Å; T147-M150 PolarHBondContact OG1-N 2.8Å; M150-Q152 VanDerWaalsContact C-N 3.29Å; M150-Q152 PolarHBondContact O-N 3.15Å; M150-L153 PolarHBondContact O-N 2.93Å; M150-L153 HydrophobicContact SD-CD1 4.48Å; M150-L154 HydrophobicContact CE-CD1 4.19Å; M150-L154 HydrophobicContact CE-CD2 3.97Å; M150-L154 HydrophobicContact CE-CG 4.03Å; M150-L154 HydrophobicContact CG-CD1 3.74Å; M150-L154 HydrophobicContact CG-CG 4.11Å; M150-L154 WeakPolarHBondContact O-CB 3.34Å; M150-L154 WeakPolarHBondContact O-CG 3.43Å; M150-L154 PolarHBondContact O-N 3.47Å; M150-L154 HydrophobicContact SD-CD1 4.46Å; M150-L154 HydrophobicContact SD-CG 4.24Å
151Q95Very high91.7Very high61 Ų6152 Ų5229%0.28526%0.264SS..Hα-helixtrans-55.4-44.9173-169.4-172.914.400111.5I21 P146 T147 M149 L154 T155I21-Q151 HydrophobicContact CD1-CB 4.48Å; I21-Q151 HydrophobicContact CD1-CG 3.83Å; P146-Q151 HydrophobicContact CG-CB 4.14Å; P146-Q151 HydrophobicContact CG-CG 4.5Å; T147-Q151 WeakPolarHBondContact O-CB 3.41Å; T147-Q151 PolarHBondContact O-N 2.82Å; M149-Q151 VanDerWaalsContact C-N 3.31Å; M149-Q151 PolarHBondContact O-N 2.83Å; Q151-L154 PolarHBondContact O-N 2.98Å; Q151-T155 WeakPolarHBondContact O-CB 3.21Å; Q151-T155 WeakPolarHBondContact O-CG2 3.19Å; Q151-T155 PolarHBondContact O-N 3.39Å; Q151-T155 VanDerWaalsContact O-N 3.11Å; Q151-T155 PolarHBondContact O-OG1 2.86Å
152Q93.9Very high90.6Very high49 Ų4960.3 Ų60.323%0.22931%0.307CS..Hα-helixtrans-64.6-43.3177.5-166-174.9-6900111.7A148 M149 M150 T155 T156A148-Q152 PolarHBondContact O-N 2.79Å; M149-Q152 WeakPolarHBondContact O-CB 3.44Å; M149-Q152 PolarHBondContact O-N 3.15Å; M149-Q152 VanDerWaalsContact O-N 3.11Å; M150-Q152 VanDerWaalsContact C-N 3.29Å; M150-Q152 PolarHBondContact O-N 3.15Å; Q152-T155 PolarHBondContact O-N 3.45Å; Q152-T155 PolarHBondContact O-OG1 3.3Å; Q152-T156 WeakPolarHBondContact O-CB 3.47Å; Q152-T156 PolarHBondContact O-N 2.86Å; Q152-T156 VanDerWaalsContact O-N 3.07Å; Q152-T156 PolarHBondContact O-OG1 2.82Å
153L94.3Very high89.4Confident39 Ų3958.5 Ų58.520%0.20431%0.31CS..Hα-helixtrans-64.2-40.9178.5-65.8-178.6000112.3A61 I105 M149 M150A61-L153 WeakPolarHBondContact O-CB 3.18Å; A61-L153 WeakPolarHBondContact O-CD2 3.27Å; I105-L153 HydrophobicContact CB-CD1 3.99Å; I105-L153 HydrophobicContact CD1-CD1 4.48Å; I105-L153 HydrophobicContact CG2-CD1 3.81Å; M149-L153 HydrophobicContact CE-CD1 3.84Å; M149-L153 HydrophobicContact CG-CD1 4.37Å; M149-L153 WeakPolarHBondContact O-CG 3.26Å; M149-L153 PolarHBondContact O-N 2.86Å; M150-L153 PolarHBondContact O-N 2.93Å; M150-L153 HydrophobicContact SD-CD1 4.48Å
154L94.2Very high88.1Confident2 Ų262.6 Ų62.61%0.0135%0.346CS..Hα-helixtrans-69.3-33.5179.5-71.9168.3000112.7I21 K23 Y62 F143 P146 M150 Q151I21-L154 HydrophobicContact CB-CD1 4.13Å; I21-L154 HydrophobicContact CD1-CB 4.05Å; I21-L154 HydrophobicContact CD1-CD1 4.05Å; I21-L154 HydrophobicContact CG2-CB 4.07Å; I21-L154 HydrophobicContact CG2-CD1 4.12Å; K23-L154 HydrophobicContact CD-CD2 4.26Å; K23-L154 WeakPolarHBondContact CE-O 3.42Å; K23-L154 HydrophobicContact CG-CD2 3.64Å; K23-L154 PolarHBondContact NZ-O 3.46Å; Y62-L154 HydrophobicContact CD1-CD2 4.16Å; Y62-L154 HydrophobicContact CD2-CD2 3.96Å; Y62-L154 HydrophobicContact CE2-CD2 4.46Å; Y62-L154 HydrophobicContact CG-CD2 3.8Å; F143-L154 HydrophobicContact CB-CD1 3.8Å; F143-L154 HydrophobicContact CD1-CD1 3.99Å; F143-L154 HydrophobicContact CD2-CD1 3.71Å; F143-L154 HydrophobicContact CD2-CD2 3.82Å; F143-L154 HydrophobicContact CD2-CG 4.45Å; F143-L154 HydrophobicContact CE1-CD2 4.47Å; F143-L154 HydrophobicContact CE2-CD1 4.28Å; F143-L154 HydrophobicContact CE2-CD2 3.58Å; F143-L154 HydrophobicContact CG-CD1 3.54Å; F143-L154 HydrophobicContact CG-CD2 4.36Å; F143-L154 HydrophobicContact CZ-CD2 3.93Å; P146-L154 HydrophobicContact CB-CD1 4.45Å; M150-L154 HydrophobicContact CE-CD1 4.19Å; M150-L154 HydrophobicContact CE-CD2 3.97Å; M150-L154 HydrophobicContact CE-CG 4.03Å; M150-L154 HydrophobicContact CG-CD1 3.74Å; M150-L154 HydrophobicContact CG-CG 4.11Å; M150-L154 WeakPolarHBondContact O-CB 3.34Å; M150-L154 WeakPolarHBondContact O-CG 3.43Å; M150-L154 PolarHBondContact O-N 3.47Å; M150-L154 HydrophobicContact SD-CD1 4.46Å; M150-L154 HydrophobicContact SD-CG 4.24Å; Q151-L154 PolarHBondContact O-N 2.98Å
155T90.9Very high87.3Confident92 Ų9260.2 Ų60.256%0.56433%0.332SS*.Hα-helixtrans-91.8-21.7-174.751.70000114I21 Q151 Q152I21-T155 HydrophobicContact CD1-CG2 3.93Å; Q151-T155 WeakPolarHBondContact O-CB 3.21Å; Q151-T155 WeakPolarHBondContact O-CG2 3.19Å; Q151-T155 PolarHBondContact O-N 3.39Å; Q151-T155 VanDerWaalsContact O-N 3.11Å; Q151-T155 PolarHBondContact O-OG1 2.86Å; Q152-T155 PolarHBondContact O-N 3.45Å; Q152-T155 PolarHBondContact O-OG1 3.3Å
156T88Confident86.6Confident60 Ų6065.8 Ų65.837%0.36835%0.354SS..SBendtrans-104.515.5-174.2-33.40000113.6F2 Q152F2-T156 HydrophobicContact CE1-CG2 3.32Å; F2-T156 HydrophobicContact CZ-CG2 3.43Å; F2-T156 VanDerWaalsContact CZ-CG2 3.43Å; Q152-T156 WeakPolarHBondContact O-CB 3.47Å; Q152-T156 PolarHBondContact O-N 2.86Å; Q152-T156 VanDerWaalsContact O-N 3.07Å; Q152-T156 PolarHBondContact O-OG1 2.82Å
157S81.8Confident86.2Confident27 Ų2767.1 Ų67.119%0.18936%0.36CS..PPolyproline II helixtrans-63.8142.9176-174.60000111.3D58D58-S157 PolarHBondContact N-OG 2.96Å; D58-S157 PolarHBondContact O-OG 3.33Å
158R85.9Confident85.8Confident193 Ų19372.8 Ų72.873%0.72839%0.387SS*.PPolyproline II helixtrans-97165.1178.1-60.8-177.5-176.8-170.90.3109.9E57 D58E57-R158 CarbonylContact C-O 3.54Å; E57-R158 WeakPolarHBondContact CA-O 3.35Å; D58-R158 PolarHBondContact N-O 2.82Å
159Q81.5Confident85.5Confident140 Ų14073.1 Ų73.165%0.65439%0.386SS*.PPolyproline II helixtrans-64.6140.6170.3-68.8-179.6-13.700110.9
160L78.3Confident85.2Confident69 Ų6978.2 Ų78.236%0.36141%0.41SS..SBendtrans-78.3-41.8-180-177.567000111.5N56 D58 P84N56-L160 WeakPolarHBondContact OD1-CB 3.35Å; N56-L160 PolarHBondContact OD1-N 3.37Å; N56-L160 VanDerWaalsContact OD1-N 3.16Å; D58-L160 HydrophobicContact CB-CD1 4.23Å; P84-L160 HydrophobicContact CB-CD1 4.08Å; P84-L160 HydrophobicContact CB-CD2 4.27Å; P84-L160 HydrophobicContact CG-CD1 3.76Å
161T80Confident84.8Confident62 Ų6279.1 Ų79.138%0.3841%0.414SS..  trans-128.9156.1-179.967.60000111.7N56N56-T161 PolarHBondContact ND2-O 3.07Å; N56-T161 PolarHBondContact ND2-OG1 3.37Å; N56-T161 PolarHBondContact OD1-N 3.03Å; N56-T161 VanDerWaalsContact OD1-N 3.14Å
162L74.5Confident84.3Confident178 Ų17878.2 Ų78.293%0.93242%0.421SS*.SBendtrans-87-9.1174.9-69.4166.9000113.2
163G73.4Confident83.9Confident49 Ų4982.2 Ų82.251%0.50544%0.439SS..SBendtrans-96.9-177.5-173.900000114.2Y165G163-Y165 PolarHBondContact O-N 3.27Å
164A69Low83.5Confident94 Ų9483.2 Ų83.278%0.77744%0.444SS*.  trans-61.3125.5173.900000110.4
165Y80.3Confident83.2Confident63 Ų6389.7 Ų89.725%0.24748%0.475CS..  trans-102.4115.5178-172.9-105.2000108.9K52 P53 Y54 N56 G163 H167K52-Y165 WeakPolarHBondContact CB-OH 3.19Å; P53-Y165 WeakPolarHBondContact CD-OH 3.5Å; P53-Y165 WeakPolarHBondContact O-CE1 3.39Å; P53-Y165 VanDerWaalsContact O-CZ 3.24Å; P53-Y165 PolarHBondContact O-OH 3.25Å; Y54-Y165 WeakPolarHBondContact O-CE1 3.41Å; N56-Y165 HydrophobicContact CB-CD1 4.01Å; N56-Y165 HydrophobicContact CB-CD2 4.14Å; N56-Y165 HydrophobicContact CB-CG 3.69Å; G163-Y165 PolarHBondContact O-N 3.27Å; Y165-H167 AromaticContact CE1-CE1 3.47Å; Y165-H167 VanDerWaalsContact CE1-CE1 3.47Å; Y165-H167 WeakPolarHBondContact CE1-CE1 3.27Å
166K82.9Confident83.1Confident161 Ų16190.1 Ų90.170%0.747%0.47SS*.  trans-127.6154.7-174.9-67.5-168.6174.6-168.50111.6
167H88.4Confident83.2Confident28 Ų2893 Ų9313%0.1347%0.474CS..  trans-105.4157.9169.5-57-49.1000109.4K52 P53 Y54 Y165 F171K52-H167 VanDerWaalsContact CE-ND1 3.35Å; K52-H167 WeakPolarHBondContact CE-ND1 3.15Å; P53-H167 PolarHBondContact O-CE1 3.34Å; Y54-H167 AromaticContact CD2-CD2 3.8Å; Y54-H167 AromaticContact CD2-NE2 3.35Å; Y54-H167 VanDerWaalsContact CD2-NE2 3.35Å; Y54-H167 WeakPolarHBondContact CD2-NE2 3.4Å; Y54-H167 AromaticContact CE2-CD2 3.89Å; Y54-H167 AromaticContact CE2-NE2 3.86Å; Y54-H167 AromaticContact CG-NE2 3.97Å; Y54-H167 PolarHBondContact O-NE2 2.92Å; Y165-H167 AromaticContact CE1-CE1 3.47Å; Y165-H167 VanDerWaalsContact CE1-CE1 3.47Å; Y165-H167 WeakPolarHBondContact CE1-CE1 3.27Å; H167-F171 HydrophobicContact CB-CD2 4.04Å; H167-F171 HydrophobicContact CB-CE2 3.82Å; H167-F171 AromaticContact CD2-CD2 3.84Å
168E86.8Confident83.5Confident123 Ų12395.4 Ų95.458%0.57549%0.488SS*.SBendtrans-73.1-26.7176.6-59.6-63.6139.900110.3V30 V134 E136V30-E168 HydrophobicContact CG1-CG 3.99Å; V134-E168 HydrophobicContact CB-CB 4.36Å; V134-E168 HydrophobicContact CG1-CB 3.41Å; V134-E168 VanDerWaalsContact CG1-CB 3.41Å; V134-E168 HydrophobicContact CG1-CG 4.33Å; V134-E168 HydrophobicContact CG2-CB 4.01Å; E136-E168 WeakPolarHBondContact OE2-CA 3.11Å; E136-E168 WeakPolarHBondContact OE2-CB 3.21Å; E136-E168 PolarHBondContact OE2-N 2.88Å
169T86.4Confident83.7Confident34 Ų3491.5 Ų91.521%0.20948%0.476CS..SBendtrans-97.6128.8174.3-54.90000111.5E136 F171 L174E136-T169 WeakPolarHBondContact OE2-CB 3.31Å; E136-T169 PolarHBondContact OE2-N 3.28Å; E136-T169 PolarHBondContact OE2-OG1 2.69Å; T169-F171 VanDerWaalsContact C-N 3.33Å; T169-F171 HydrophobicContact CG2-CD1 4.2Å; T169-F171 HydrophobicContact CG2-CE1 4.03Å; T169-F171 HydrophobicContact CG2-CE2 4.38Å; T169-F171 HydrophobicContact CG2-CG 4.44Å; T169-F171 HydrophobicContact CG2-CZ 4.13Å; T169-F171 WeakPolarHBondContact O-CD2 3.36Å; T169-F171 PolarHBondContact O-N 2.97Å; T169-L174 HydrophobicContact CG2-CD2 4.42Å
170E88.4Confident84.3Confident119 Ų11989.8 Ų89.856%0.55647%0.468SS*.  trans-76.781.3171.8-66.7-63.415700110.4G172 E173 L174E170-G172 VanDerWaalsContact C-N 3.25Å; E170-G172 PolarHBondContact O-N 2.84Å; E170-E173 HydrophobicContact CB-CB 4.38Å; E170-E173 HydrophobicContact CB-CG 4.31Å; E170-E173 PolarHBondContact O-N 2.82Å; E170-L174 PolarHBondContact O-N 2.78Å; E170-L174 VanDerWaalsContact O-N 3.12Å
171F86.3Confident85Confident19 Ų1993.2 Ų93.28%0.08348%0.48CS..Hα-helixtrans-61.2-29.6-175.7-72.2-75000113.8V26 Y54 E136 H167 T169 L174 E175V26-F171 HydrophobicContact CB-CE2 4.36Å; V26-F171 HydrophobicContact CB-CZ 4.49Å; V26-F171 HydrophobicContact CG1-CE2 3.78Å; V26-F171 HydrophobicContact CG1-CZ 3.73Å; V26-F171 HydrophobicContact CG2-CD2 4.3Å; V26-F171 HydrophobicContact CG2-CE2 3.59Å; V26-F171 HydrophobicContact CG2-CZ 3.96Å; Y54-F171 HydrophobicContact CE2-CB 4.13Å; Y54-F171 HydrophobicContact CE2-CD2 4.16Å; Y54-F171 HydrophobicContact CE2-CG 4.34Å; E136-F171 HydrophobicContact CB-CZ 3.95Å; H167-F171 HydrophobicContact CB-CD2 4.04Å; H167-F171 HydrophobicContact CB-CE2 3.82Å; H167-F171 AromaticContact CD2-CD2 3.84Å; T169-F171 VanDerWaalsContact C-N 3.33Å; T169-F171 HydrophobicContact CG2-CD1 4.2Å; T169-F171 HydrophobicContact CG2-CE1 4.03Å; T169-F171 HydrophobicContact CG2-CE2 4.38Å; T169-F171 HydrophobicContact CG2-CG 4.44Å; T169-F171 HydrophobicContact CG2-CZ 4.13Å; T169-F171 WeakPolarHBondContact O-CD2 3.36Å; T169-F171 PolarHBondContact O-N 2.97Å; F171-L174 HydrophobicContact CD1-CD2 4.23Å; F171-L174 PolarHBondContact O-N 2.98Å; F171-E175 WeakPolarHBondContact O-CB 3.29Å; F171-E175 PolarHBondContact O-N 2.84Å
172G85.1Confident85.7Confident42 Ų4296.1 Ų96.143%0.43349%0.493SS..Hα-helixtrans-66.2-42.2177.200000113E170 E175 Q176E170-G172 VanDerWaalsContact C-N 3.25Å; E170-G172 PolarHBondContact O-N 2.84Å; G172-E175 PolarHBondContact O-N 3.45Å; G172-Q176 PolarHBondContact O-N 2.85Å; G172-Q176 VanDerWaalsContact O-N 3.07Å
173E86.3Confident86.7Confident132 Ų13293 Ų9362%0.61747%0.474SS*.Hα-helixtrans-68.5-38.4174.2-65-172.9172.500111.6E170 Q176 R177E170-E173 HydrophobicContact CB-CB 4.38Å; E170-E173 HydrophobicContact CB-CG 4.31Å; E170-E173 PolarHBondContact O-N 2.82Å; E173-Q176 PolarHBondContact O-N 3.28Å; E173-R177 WeakPolarHBondContact O-CB 3.35Å; E173-R177 PolarHBondContact O-N 3.12Å
174L85.5Confident87.7Confident60 Ų6092.8 Ų92.831%0.31447%0.467SS..Hα-helixtrans-61.7-45.6175.9-18063000111.3T169 E170 F171 T178T169-L174 HydrophobicContact CG2-CD2 4.42Å; E170-L174 PolarHBondContact O-N 2.78Å; E170-L174 VanDerWaalsContact O-N 3.12Å; F171-L174 HydrophobicContact CD1-CD2 4.23Å; F171-L174 PolarHBondContact O-N 2.98Å; L174-T178 VanDerWaalsContact O-CB 3.24Å; L174-T178 WeakPolarHBondContact O-CB 3.11Å; L174-T178 PolarHBondContact O-N 2.76Å; L174-T178 PolarHBondContact O-OG1 3.12Å
175E87.6Confident88.9Confident138 Ų13890.5 Ų90.565%0.64545%0.448SS*.Hα-helixtrans-58.4-52.3175.8-177-176.2-17400110.8F171 G172 R177 T178 K179F171-E175 WeakPolarHBondContact O-CB 3.29Å; F171-E175 PolarHBondContact O-N 2.84Å; G172-E175 PolarHBondContact O-N 3.45Å; E175-R177 PolarHBondContact O-N 2.86Å; E175-T178 PolarHBondContact O-N 3.01Å; E175-T178 VanDerWaalsContact O-N 3.12Å; E175-K179 WeakPolarHBondContact O-CB 3.34Å; E175-K179 PolarHBondContact O-N 2.98Å
176Q89.3Confident89.7Confident101 Ų10194.7 Ų94.747%0.47247%0.467SS..Hα-helixtrans-56.6-50.8-179.3-178.459.731.800111.6G172 E173 T178 K179 E180G172-Q176 PolarHBondContact O-N 2.85Å; G172-Q176 VanDerWaalsContact O-N 3.07Å; E173-Q176 PolarHBondContact O-N 3.28Å; Q176-T178 VanDerWaalsContact C-N 3.29Å; Q176-T178 PolarHBondContact O-N 3.36Å; Q176-K179 PolarHBondContact O-N 3.41Å; Q176-E180 PolarHBondContact NE2-OE1 2.78Å; Q176-E180 WeakPolarHBondContact O-CG 3.31Å; Q176-E180 PolarHBondContact O-N 2.83Å
177R89.4Confident90.3Very high121 Ų12193.5 Ų93.546%0.45746%0.462SS..Hα-helixtrans-62.3-37.2178-178.1176.662.9-136.21112.4E173 E175 K181E173-R177 WeakPolarHBondContact O-CB 3.35Å; E173-R177 PolarHBondContact O-N 3.12Å; E175-R177 PolarHBondContact O-N 2.86Å; R177-K181 WeakPolarHBondContact O-CG 3.16Å; R177-K181 PolarHBondContact O-N 2.95Å; R177-K181 VanDerWaalsContact O-N 3.13Å
178T87.4Confident90.7Very high77 Ų77100.1 Ų100.147%0.47249%0.486SS..Hα-helixtrans-69.2-42.2179.5-59.10000110.6L174 E175 Q176 K181 L182L174-T178 VanDerWaalsContact O-CB 3.24Å; L174-T178 WeakPolarHBondContact O-CB 3.11Å; L174-T178 PolarHBondContact O-N 2.76Å; L174-T178 PolarHBondContact O-OG1 3.12Å; E175-T178 PolarHBondContact O-N 3.01Å; E175-T178 VanDerWaalsContact O-N 3.12Å; Q176-T178 VanDerWaalsContact C-N 3.29Å; Q176-T178 PolarHBondContact O-N 3.36Å; T178-K181 PolarHBondContact O-N 2.66Å; T178-L182 WeakPolarHBondContact O-CB 3.18Å; T178-L182 PolarHBondContact O-N 3.13Å
179K91.1Very high91.1Very high111 Ų11197.8 Ų97.848%0.48348%0.48SS..Hα-helixtrans-60.8-47.1175.4-173.8179.3178-177.40111.7E175 Q176 K181 L182 E183E175-K179 WeakPolarHBondContact O-CB 3.34Å; E175-K179 PolarHBondContact O-N 2.98Å; Q176-K179 PolarHBondContact O-N 3.41Å; K179-K181 VanDerWaalsContact C-N 3.34Å; K179-K181 PolarHBondContact O-N 3.34Å; K179-L182 PolarHBondContact O-N 3.42Å; K179-L182 VanDerWaalsContact O-N 3.15Å; K179-E183 WeakPolarHBondContact CE-OE1 3.46Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.98Å
180E93.8Very high91.6Very high105 Ų10599 Ų9949%0.49149%0.49SS..Hα-helixtrans-58.9-44.6176.5-73.4169.6-17300112.2Q176 L182 E183 A184Q176-E180 PolarHBondContact NE2-OE1 2.78Å; Q176-E180 WeakPolarHBondContact O-CG 3.31Å; Q176-E180 PolarHBondContact O-N 2.83Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 2.93Å; E180-E183 PolarHBondContact O-N 3.31Å; E180-A184 WeakPolarHBondContact O-CB 3.49Å; E180-A184 PolarHBondContact O-N 2.76Å
181K93.8Very high92Very high141 Ų14198 Ų9861%0.61349%0.485SS*.Hα-helixtrans-61.9-41.7175.4-74.6178.2-179.7-174.50111.9R177 T178 K179 A184 A185R177-K181 WeakPolarHBondContact O-CG 3.16Å; R177-K181 PolarHBondContact O-N 2.95Å; R177-K181 VanDerWaalsContact O-N 3.13Å; T178-K181 PolarHBondContact O-N 2.66Å; K179-K181 VanDerWaalsContact C-N 3.34Å; K179-K181 PolarHBondContact O-N 3.34Å; K181-A184 PolarHBondContact O-N 3.19Å; K181-A185 WeakPolarHBondContact O-CB 3.44Å; K181-A185 PolarHBondContact O-N 3.32Å
182L93.9Very high92.5Very high122 Ų122102.6 Ų102.664%0.63951%0.507SS*.Hα-helixtrans-66.9-43.3179.4-172.569.9000111.6T178 K179 E180 A184 A185 K186T178-L182 WeakPolarHBondContact O-CB 3.18Å; T178-L182 PolarHBondContact O-N 3.13Å; K179-L182 PolarHBondContact O-N 3.42Å; K179-L182 VanDerWaalsContact O-N 3.15Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 2.93Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-A185 PolarHBondContact O-N 3.48Å; L182-K186 WeakPolarHBondContact O-CB 3.28Å; L182-K186 PolarHBondContact O-N 2.98Å
183E95.1Very high93.1Very high114 Ų114104.4 Ų104.453%0.53351%0.506SS..Hα-helixtrans-62.3-42.8175.8-74.7-178.4-179.600111.4K179 E180 K186 K187K179-E183 WeakPolarHBondContact CE-OE1 3.46Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.98Å; E180-E183 PolarHBondContact O-N 3.31Å; E183-K186 PolarHBondContact O-N 2.85Å; E183-K187 WeakPolarHBondContact O-CB 3.12Å; E183-K187 PolarHBondContact O-N 2.8Å
184A94.9Very high93.6Very high43 Ų43101.6 Ų101.636%0.35550%0.498SS..Hα-helixtrans-61.7-44.1174.700000112.1E180 K181 L182 K187 R188E180-A184 WeakPolarHBondContact O-CB 3.49Å; E180-A184 PolarHBondContact O-N 2.76Å; K181-A184 PolarHBondContact O-N 3.19Å; L182-A184 VanDerWaalsContact C-N 3.35Å; A184-K187 PolarHBondContact O-N 3.02Å; A184-R188 WeakPolarHBondContact O-CG 3.34Å; A184-R188 PolarHBondContact O-N 3.32Å; A184-R188 VanDerWaalsContact O-N 3.11Å
185A95.1Very high94.1Very high46 Ų46104.7 Ų104.738%0.3851%0.511SS..Hα-helixtrans-62.3-47.6176.200000111.5K181 L182 K187 R188 T189K181-A185 WeakPolarHBondContact O-CB 3.44Å; K181-A185 PolarHBondContact O-N 3.32Å; L182-A185 PolarHBondContact O-N 3.48Å; A185-K187 VanDerWaalsContact C-N 3.28Å; A185-K187 PolarHBondContact O-N 2.67Å; A185-R188 PolarHBondContact O-N 2.86Å; A185-T189 PolarHBondContact O-N 2.54Å; A185-T189 PolarHBondContact O-OG1 2.98Å
186K96Very high94.6Very high151 Ų151103.5 Ų103.566%0.65751%0.508SS*.Hα-helixtrans-58.6-39.5177.4-175.2-178.9-179.8-178.50112.2L182 E183 S190L182-K186 WeakPolarHBondContact O-CB 3.28Å; L182-K186 PolarHBondContact O-N 2.98Å; E183-K186 PolarHBondContact O-N 2.85Å; K186-S190 WeakPolarHBondContact O-CB 3.15Å; K186-S190 PolarHBondContact O-N 2.85Å; K186-S190 PolarHBondContact O-OG 2.81Å
187K96.4Very high94.9Very high137 Ų137105.4 Ų105.460%0.59652%0.515SS*.Hα-helixtrans-63.9-47.4176.9-174.4177.4178.7-179.50111.3E183 A184 A185 S190 Q191E183-K187 WeakPolarHBondContact O-CB 3.12Å; E183-K187 PolarHBondContact O-N 2.8Å; A184-K187 PolarHBondContact O-N 3.02Å; A185-K187 VanDerWaalsContact C-N 3.28Å; A185-K187 PolarHBondContact O-N 2.67Å; K187-S190 PolarHBondContact O-N 3.26Å; K187-Q191 WeakPolarHBondContact O-CG 3.43Å; K187-Q191 PolarHBondContact O-N 2.98Å
188R96.1Very high95.3Very high167 Ų167104.4 Ų104.463%0.6352%0.519SS*.Hα-helixtrans-60.1-49.8177.4-70.4178-170166.42.9111.7A184 A185 S190 Q191 E192A184-R188 WeakPolarHBondContact O-CG 3.34Å; A184-R188 PolarHBondContact O-N 3.32Å; A184-R188 VanDerWaalsContact O-N 3.11Å; A185-R188 PolarHBondContact O-N 2.86Å; R188-S190 VanDerWaalsContact C-N 3.3Å; R188-S190 PolarHBondContact O-N 2.89Å; R188-Q191 WeakPolarHBondContact O-CB 3.47Å; R188-Q191 PolarHBondContact O-N 3.49Å; R188-Q191 VanDerWaalsContact O-N 3.11Å; R188-E192 PolarHBondContact O-N 2.86Å
189T96.5Very high95.7Very high74 Ų74109.7 Ų109.745%0.45453%0.53SS..Hα-helixtrans-60.6-40.5178.3-54.90000111.8A185 Q191 E192 I193A185-T189 PolarHBondContact O-N 2.54Å; A185-T189 PolarHBondContact O-OG1 2.98Å; T189-Q191 VanDerWaalsContact C-N 3.34Å; T189-Q191 PolarHBondContact O-N 3.05Å; T189-E192 PolarHBondContact O-N 3.48Å; T189-I193 HydrophobicContact CG2-CD1 3.93Å; T189-I193 HydrophobicContact CG2-CG1 4.49Å; T189-I193 WeakPolarHBondContact O-CB 3.28Å; T189-I193 VanDerWaalsContact O-CG1 3.22Å; T189-I193 WeakPolarHBondContact O-CG1 3.39Å; T189-I193 PolarHBondContact O-N 3Å
190S96.4Very high95.9Very high58 Ų58108.6 Ų108.641%0.40653%0.529SS..Hα-helixtrans-63.2-39.3175.7-60.60000112.7K186 K187 R188 T194K186-S190 WeakPolarHBondContact O-CB 3.15Å; K186-S190 PolarHBondContact O-N 2.85Å; K186-S190 PolarHBondContact O-OG 2.81Å; K187-S190 PolarHBondContact O-N 3.26Å; R188-S190 VanDerWaalsContact C-N 3.3Å; R188-S190 PolarHBondContact O-N 2.89Å; S190-T194 PolarHBondContact O-N 3.12Å; S190-T194 VanDerWaalsContact O-N 3.1Å; S190-T194 PolarHBondContact O-OG1 2.89Å
191Q96.6Very high96.1Very high99 Ų99109.5 Ų109.546%0.46353%0.531SS..Hα-helixtrans-64.5-49.8175.9-73.4172.1-31.600111.2K187 R188 T189 I193 T194 E195K187-Q191 WeakPolarHBondContact O-CG 3.43Å; K187-Q191 PolarHBondContact O-N 2.98Å; R188-Q191 WeakPolarHBondContact O-CB 3.47Å; R188-Q191 PolarHBondContact O-N 3.49Å; R188-Q191 VanDerWaalsContact O-N 3.11Å; T189-Q191 VanDerWaalsContact C-N 3.34Å; T189-Q191 PolarHBondContact O-N 3.05Å; Q191-I193 VanDerWaalsContact C-N 3.32Å; Q191-I193 PolarHBondContact O-N 3.38Å; Q191-T194 WeakPolarHBondContact O-CA 3.42Å; Q191-T194 WeakPolarHBondContact O-CB 3.34Å; Q191-T194 PolarHBondContact O-N 3.27Å; Q191-E195 PolarHBondContact O-N 3Å
192E96.4Very high96.2Very high116 Ų116104.9 Ų104.954%0.54252%0.519SS..Hα-helixtrans-58.6-42.6177.2-72.5173.2-16800112.1R188 T189 T194 E195 L196R188-E192 PolarHBondContact O-N 2.86Å; T189-E192 PolarHBondContact O-N 3.48Å; E192-T194 VanDerWaalsContact C-N 3.26Å; E192-T194 PolarHBondContact O-N 3.07Å; E192-E195 PolarHBondContact O-N 2.85Å; E192-L196 WeakPolarHBondContact O-CB 3.23Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.21Å; E192-L196 PolarHBondContact O-N 3.46Å
193I96.9Very high96.3Very high79 Ų79101.8 Ų101.841%0.40551%0.508SS..Hα-helixtrans-59.8-39.6174.9-72.6167.7000111T189 Q191 K197T189-I193 HydrophobicContact CG2-CD1 3.93Å; T189-I193 HydrophobicContact CG2-CG1 4.49Å; T189-I193 WeakPolarHBondContact O-CB 3.28Å; T189-I193 VanDerWaalsContact O-CG1 3.22Å; T189-I193 WeakPolarHBondContact O-CG1 3.39Å; T189-I193 PolarHBondContact O-N 3Å; Q191-I193 VanDerWaalsContact C-N 3.32Å; Q191-I193 PolarHBondContact O-N 3.38Å; I193-K197 HydrophobicContact CG2-CD 4.15Å; I193-K197 WeakPolarHBondContact O-CB 3.36Å; I193-K197 VanDerWaalsContact O-CG 3.29Å; I193-K197 WeakPolarHBondContact O-CG 3.45Å; I193-K197 PolarHBondContact O-N 3.12Å
194T97.1Very high96.3Very high74 Ų74103.8 Ų103.845%0.45451%0.51SS..Hα-helixtrans-68.6-47.7-179.1-55.80000110.3S190 Q191 E192 L196 K197 D198S190-T194 PolarHBondContact O-N 3.12Å; S190-T194 VanDerWaalsContact O-N 3.1Å; S190-T194 PolarHBondContact O-OG1 2.89Å; Q191-T194 WeakPolarHBondContact O-CA 3.42Å; Q191-T194 WeakPolarHBondContact O-CB 3.34Å; Q191-T194 PolarHBondContact O-N 3.27Å; E192-T194 VanDerWaalsContact C-N 3.26Å; E192-T194 PolarHBondContact O-N 3.07Å; T194-L196 VanDerWaalsContact C-N 3.33Å; T194-L196 PolarHBondContact O-N 2.82Å; T194-K197 WeakPolarHBondContact O-CB 3.3Å; T194-K197 PolarHBondContact O-N 2.84Å; T194-K197 VanDerWaalsContact O-N 3.14Å; T194-D198 PolarHBondContact O-N 2.75Å
195E97.1Very high96.3Very high125 Ų125106.8 Ų106.858%0.58452%0.517SS*.Hα-helixtrans-58.5-43.1175.8-70.4177.2-172.100112.4Q191 E192 D198 R199Q191-E195 PolarHBondContact O-N 3Å; E192-E195 PolarHBondContact O-N 2.85Å; E195-D198 PolarHBondContact O-N 3.4Å; E195-R199 WeakPolarHBondContact O-CB 3.19Å; E195-R199 VanDerWaalsContact O-CG 3.3Å; E195-R199 WeakPolarHBondContact O-CG 3.43Å; E195-R199 PolarHBondContact O-N 2.82Å
196L96.9Very high96.3Very high112 Ų112109.5 Ų109.559%0.58653%0.525SS*.Hα-helixtrans-66.2-38.1177-72.2172.9000112.2E192 T194 L200E192-L196 WeakPolarHBondContact O-CB 3.23Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.21Å; E192-L196 PolarHBondContact O-N 3.46Å; T194-L196 VanDerWaalsContact C-N 3.33Å; T194-L196 PolarHBondContact O-N 2.82Å; L196-L200 VanDerWaalsContact O-CB 3.28Å; L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 PolarHBondContact O-N 3.25Å
197K96.8Very high96.3Very high141 Ų141106.1 Ų106.161%0.61351%0.514SS*.Hα-helixtrans-64-43.1174.6-79.9177178.3-179.40111.7I193 T194 L200 K201I193-K197 HydrophobicContact CG2-CD 4.15Å; I193-K197 WeakPolarHBondContact O-CB 3.36Å; I193-K197 VanDerWaalsContact O-CG 3.29Å; I193-K197 WeakPolarHBondContact O-CG 3.45Å; I193-K197 PolarHBondContact O-N 3.12Å; T194-K197 WeakPolarHBondContact O-CB 3.3Å; T194-K197 PolarHBondContact O-N 2.84Å; T194-K197 VanDerWaalsContact O-N 3.14Å; K197-L200 PolarHBondContact O-N 2.8Å; K197-K201 WeakPolarHBondContact O-CB 3.3Å; K197-K201 PolarHBondContact O-N 3.02Å
198D96.7Very high96.2Very high100 Ų100104.8 Ų104.854%0.53551%0.513SS..Hα-helixtrans-67.3-43179.5-69.9-19.2000111.3T194 E195 L200 K201 A202T194-D198 PolarHBondContact O-N 2.75Å; E195-D198 PolarHBondContact O-N 3.4Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 2.91Å; D198-K201 PolarHBondContact O-N 2.75Å; D198-A202 WeakPolarHBondContact O-CB 3.37Å; D198-A202 PolarHBondContact O-N 3.36Å
199R96.4Very high96.1Very high189 Ų189102.3 Ų102.371%0.71351%0.508SS*.Hα-helixtrans-61.9-40.4173.4-71.2177.388.81757112.1E195 S203E195-R199 WeakPolarHBondContact O-CB 3.19Å; E195-R199 VanDerWaalsContact O-CG 3.3Å; E195-R199 WeakPolarHBondContact O-CG 3.43Å; E195-R199 PolarHBondContact O-N 2.82Å; R199-S203 VanDerWaalsContact O-CB 3.29Å; R199-S203 WeakPolarHBondContact O-CB 3.47Å; R199-S203 PolarHBondContact O-N 3.42Å
200L96.1Very high96Very high87 Ų87103.6 Ų103.646%0.45551%0.512SS..Hα-helixtrans-64.6-41.3176.3-178.664.8000111.5L196 K197 D198 S203 R204L196-L200 VanDerWaalsContact O-CB 3.28Å; L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 PolarHBondContact O-N 3.25Å; K197-L200 PolarHBondContact O-N 2.8Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 2.91Å; L200-S203 PolarHBondContact O-N 2.97Å; L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 2.69Å
201K96.6Very high95.9Very high125 Ų125107.4 Ų107.454%0.54352%0.521SS..Hα-helixtrans-62.5-51.5176.3-175-176173.3-168.40111K197 D198 S203 R204 E205K197-K201 WeakPolarHBondContact O-CB 3.3Å; K197-K201 PolarHBondContact O-N 3.02Å; D198-K201 PolarHBondContact O-N 2.75Å; K201-S203 VanDerWaalsContact C-N 3.31Å; K201-S203 PolarHBondContact O-N 2.74Å; K201-R204 WeakPolarHBondContact O-CB 3.32Å; K201-R204 PolarHBondContact O-N 3.14Å; K201-R204 VanDerWaalsContact O-N 3.13Å; K201-E205 WeakPolarHBondContact CE-OE1 2.89Å; K201-E205 IonicContact NZ-OE1 3.34Å; K201-E205 WeakPolarHBondContact O-CG 3.28Å; K201-E205 PolarHBondContact O-N 3.16Å
202A95.9Very high95.8Very high43 Ų43104.5 Ų104.536%0.35552%0.517SS..Hα-helixtrans-59.5-41.117800000112.1D198 R204 E205 N206D198-A202 WeakPolarHBondContact O-CB 3.37Å; D198-A202 PolarHBondContact O-N 3.36Å; A202-R204 PolarHBondContact O-N 2.74Å; A202-E205 PolarHBondContact O-N 2.74Å; A202-N206 WeakPolarHBondContact O-CB 3.38Å; A202-N206 VanDerWaalsContact O-CG 3.3Å; A202-N206 PolarHBondContact O-N 2.95Å
203S96Very high95.6Very high57 Ų57103.4 Ų103.440%0.39951%0.512SS..Hα-helixtrans-62.6-41.6175.5179.20000112.4R199 L200 K201 N206 I207R199-S203 VanDerWaalsContact O-CB 3.29Å; R199-S203 WeakPolarHBondContact O-CB 3.47Å; R199-S203 PolarHBondContact O-N 3.42Å; L200-S203 PolarHBondContact O-N 2.97Å; K201-S203 VanDerWaalsContact C-N 3.31Å; K201-S203 PolarHBondContact O-N 2.74Å; S203-N206 PolarHBondContact O-N 2.59Å; S203-I207 VanDerWaalsContact O-CG1 3.26Å; S203-I207 WeakPolarHBondContact O-CG1 3.49Å; S203-I207 PolarHBondContact O-N 3.03Å
204R94.9Very high95.4Very high156 Ų156103.9 Ų103.959%0.58952%0.515SS*.Hα-helixtrans-64.7-41.8175.5-75.4173.4175.5-178.7-1.5112.4L200 K201 A202 I207 N208L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 2.69Å; K201-R204 WeakPolarHBondContact O-CB 3.32Å; K201-R204 PolarHBondContact O-N 3.14Å; K201-R204 VanDerWaalsContact O-N 3.13Å; A202-R204 PolarHBondContact O-N 2.74Å; R204-I207 PolarHBondContact O-N 2.78Å; R204-N208 WeakPolarHBondContact O-CB 3.44Å; R204-N208 VanDerWaalsContact O-CG 3.27Å; R204-N208 PolarHBondContact O-N 2.89Å; R204-N208 PolarHBondContact O-ND2 2.9Å
205E95.5Very high95.1Very high106 Ų106108 Ų10850%0.49552%0.522SS..Hα-helixtrans-62-45.1176-72.3171.4174.500110.9K201 A202 I207 N208 H209K201-E205 WeakPolarHBondContact CE-OE1 2.89Å; K201-E205 IonicContact NZ-OE1 3.34Å; K201-E205 WeakPolarHBondContact O-CG 3.28Å; K201-E205 PolarHBondContact O-N 3.16Å; A202-E205 PolarHBondContact O-N 2.74Å; E205-I207 PolarHBondContact O-N 3.05Å; E205-N208 PolarHBondContact O-N 2.95Å; E205-H209 PolarHBondContact O-N 3.33Å
206N95.4Very high94.8Very high103 Ų103108.8 Ų108.855%0.55152%0.523SS*.Hα-helixtrans-61.8-43.3174.9-73-10.3000112.6A202 S203 N208 H209 L210A202-N206 WeakPolarHBondContact O-CB 3.38Å; A202-N206 VanDerWaalsContact O-CG 3.3Å; A202-N206 PolarHBondContact O-N 2.95Å; S203-N206 PolarHBondContact O-N 2.59Å; N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 2.87Å; N206-H209 PolarHBondContact O-N 3.39Å; N206-L210 WeakPolarHBondContact O-CG 3.27Å; N206-L210 PolarHBondContact O-N 2.96Å
207I95.8Very high94.3Very high81 Ų81109.4 Ų109.442%0.41553%0.527SS..Hα-helixtrans-60.1-43.6175.9-72.5165.1000110.6S203 R204 E205 K211S203-I207 VanDerWaalsContact O-CG1 3.26Å; S203-I207 WeakPolarHBondContact O-CG1 3.49Å; S203-I207 PolarHBondContact O-N 3.03Å; R204-I207 PolarHBondContact O-N 2.78Å; E205-I207 PolarHBondContact O-N 3.05Å; I207-K211 HydrophobicContact CG2-CD 4.21Å; I207-K211 WeakPolarHBondContact O-CB 3.1Å; I207-K211 WeakPolarHBondContact O-CG 3.45Å; I207-K211 PolarHBondContact O-N 2.88Å
208N94.4Very high93.7Very high108 Ų108108.9 Ų108.958%0.57853%0.526SS*.Hα-helixtrans-66.5-40179.2-71.9-18.3000111.9R204 E205 N206 G212R204-N208 WeakPolarHBondContact O-CB 3.44Å; R204-N208 VanDerWaalsContact O-CG 3.27Å; R204-N208 PolarHBondContact O-N 2.89Å; R204-N208 PolarHBondContact O-ND2 2.9Å; E205-N208 PolarHBondContact O-N 2.95Å; N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 2.87Å; N208-G212 PolarHBondContact O-N 2.83Å
209H94.5Very high93Very high115 Ų115108.7 Ų108.753%0.53252%0.522SS..Hα-helixtrans-59.4-54174.3-175.5-58.9000111.3E205 N206 K211 G212 E213E205-H209 PolarHBondContact O-N 3.33Å; N206-H209 PolarHBondContact O-N 3.39Å; H209-K211 VanDerWaalsContact C-N 3.31Å; H209-K211 PolarHBondContact O-N 3.17Å; H209-G212 WeakPolarHBondContact O-CA 3.15Å; H209-G212 PolarHBondContact O-N 3.41Å; H209-E213 IonicContact CE1-OE1 3.87Å; H209-E213 PolarHBondContact CE1-OE1 3.47Å; H209-E213 IonicContact CE1-OE2 3.17Å; H209-E213 PolarHBondContact CE1-OE2 2.81Å; H209-E213 IonicContact ND1-OE2 3.93Å; H209-E213 PolarHBondContact ND1-OE2 3.3Å; H209-E213 PolarHBondContact O-N 3.41Å
210L94.1Very high92Very high101 Ų101104.7 Ų104.753%0.52952%0.515SS..Hα-helixtrans-60.5-40.3-178.9-71.1170.1000111.8N206 G212 E213 I214N206-L210 WeakPolarHBondContact O-CG 3.27Å; N206-L210 PolarHBondContact O-N 2.96Å; L210-G212 VanDerWaalsContact C-N 3.3Å; L210-G212 PolarHBondContact O-N 2.91Å; L210-E213 PolarHBondContact O-N 3.03Å; L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.44Å; L210-I214 PolarHBondContact O-N 2.86Å
211K94.1Very high90.4Very high139 Ų139102.3 Ų102.360%0.60451%0.512SS*.Hα-helixtrans-60.5-38.9173.2-78.6-177.8176.4-172.90112.7I207 H209 R215I207-K211 HydrophobicContact CG2-CD 4.21Å; I207-K211 WeakPolarHBondContact O-CB 3.1Å; I207-K211 WeakPolarHBondContact O-CG 3.45Å; I207-K211 PolarHBondContact O-N 2.88Å; H209-K211 VanDerWaalsContact C-N 3.31Å; H209-K211 PolarHBondContact O-N 3.17Å; K211-R215 PolarHBondContact O-N 2.85Å; K211-R215 VanDerWaalsContact O-N 3.15Å
212G93.4Very high88.6Confident37 Ų37102.3 Ų102.338%0.38152%0.517SS..Hα-helixtrans-65.6-39.9176.300000112.7N208 H209 L210 K216N208-G212 PolarHBondContact O-N 2.83Å; H209-G212 WeakPolarHBondContact O-CA 3.15Å; H209-G212 PolarHBondContact O-N 3.41Å; L210-G212 VanDerWaalsContact C-N 3.3Å; L210-G212 PolarHBondContact O-N 2.91Å; G212-K216 PolarHBondContact O-N 3.31Å
213E93.1Very high86.8Confident93 Ų93107.8 Ų107.844%0.43554%0.535SS..Hα-helixtrans-68.3-43.6176-71.4-172.613000112.6H209 L210 R215 K216 L217H209-E213 IonicContact CE1-OE1 3.87Å; H209-E213 PolarHBondContact CE1-OE1 3.47Å; H209-E213 IonicContact CE1-OE2 3.17Å; H209-E213 PolarHBondContact CE1-OE2 2.81Å; H209-E213 IonicContact ND1-OE2 3.93Å; H209-E213 PolarHBondContact ND1-OE2 3.3Å; H209-E213 PolarHBondContact O-N 3.41Å; L210-E213 PolarHBondContact O-N 3.03Å; E213-R215 VanDerWaalsContact C-N 3.28Å; E213-R215 PolarHBondContact O-N 2.98Å; E213-K216 PolarHBondContact O-N 2.88Å; E213-L217 WeakPolarHBondContact O-CG 3.46Å; E213-L217 PolarHBondContact O-N 2.82Å
214I92.1Very high84.7Confident90 Ų90114.1 Ų114.146%0.46256%0.556SS.*Hα-helixtrans-55.5-47.6175.6-70.4165.9000110.1L210 K216 L217 E218L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.44Å; L210-I214 PolarHBondContact O-N 2.86Å; I214-K216 VanDerWaalsContact C-N 3.34Å; I214-K216 PolarHBondContact O-N 2.87Å; I214-L217 PolarHBondContact O-N 2.78Å; I214-L217 VanDerWaalsContact O-N 3.17Å; I214-E218 HydrophobicContact CG2-CG 4.39Å; I214-E218 WeakPolarHBondContact O-CG 3.48Å; I214-E218 PolarHBondContact O-N 2.99Å
215R91.5Very high82.6Confident159 Ų159114.7 Ų114.760%0.657%0.565SS**Hα-helixtrans-60.5-41.1179.5-176.3178.6171173.73.4113.1K211 E213 E218 E219K211-R215 PolarHBondContact O-N 2.85Å; K211-R215 VanDerWaalsContact O-N 3.15Å; E213-R215 VanDerWaalsContact C-N 3.28Å; E213-R215 PolarHBondContact O-N 2.98Å; R215-E218 PolarHBondContact O-N 2.78Å; R215-E219 IonicContact CZ-OE1 3.62Å; R215-E219 IonicContact NE-OE1 2.89Å; R215-E219 PolarHBondContact NE-OE1 3.29Å; R215-E219 IonicContact NH2-OE1 3.48Å; R215-E219 PolarHBondContact NH2-OE1 2.89Å; R215-E219 WeakPolarHBondContact O-CG 3.48Å; R215-E219 PolarHBondContact O-N 2.79Å
216K90Very high80.2Confident142 Ų142121.3 Ų121.362%0.61760%0.595SS**Hα-helixtrans-63.5-42.2176.1-74.3179.2177.6-178.50111.8G212 E213 I214 E218 E219 D220G212-K216 PolarHBondContact O-N 3.31Å; E213-K216 PolarHBondContact O-N 2.88Å; I214-K216 VanDerWaalsContact C-N 3.34Å; I214-K216 PolarHBondContact O-N 2.87Å; K216-E218 VanDerWaalsContact C-N 3.33Å; K216-E219 PolarHBondContact O-N 2.69Å; K216-D220 WeakPolarHBondContact O-CB 3.48Å; K216-D220 PolarHBondContact O-N 3.42Å
217L87.4Confident79.4Confident125 Ų125122.2 Ų122.265%0.65460%0.598SS**Hα-helixtrans-66.8-34.9178.3-70.7170.8000112.4E213 I214 G221E213-L217 WeakPolarHBondContact O-CG 3.46Å; E213-L217 PolarHBondContact O-N 2.82Å; I214-L217 PolarHBondContact O-N 2.78Å; I214-L217 VanDerWaalsContact O-N 3.17Å; L217-G221 PolarHBondContact O-N 2.92Å
218E84.8Confident78.6Confident131 Ų131124.4 Ų124.461%0.61261%0.607SS**Hα-helixtrans-65.3-45172.6-71.9172.3166.900111.3I214 R215 K216 G221 D222I214-E218 HydrophobicContact CG2-CG 4.39Å; I214-E218 WeakPolarHBondContact O-CG 3.48Å; I214-E218 PolarHBondContact O-N 2.99Å; R215-E218 PolarHBondContact O-N 2.78Å; K216-E218 VanDerWaalsContact C-N 3.33Å; E218-G221 PolarHBondContact O-N 3.36Å; E218-D222 PolarHBondContact O-N 3.41Å
219E81.5Confident77.7Confident96 Ų96125.3 Ų125.345%0.44961%0.609SS.*Hα-helixtrans-65.4-37.2177.6-71.1170.5-174.800112.4R215 K216 H223R215-E219 IonicContact CZ-OE1 3.62Å; R215-E219 IonicContact NE-OE1 2.89Å; R215-E219 PolarHBondContact NE-OE1 3.29Å; R215-E219 IonicContact NH2-OE1 3.48Å; R215-E219 PolarHBondContact NH2-OE1 2.89Å; R215-E219 WeakPolarHBondContact O-CG 3.48Å; R215-E219 PolarHBondContact O-N 2.79Å; K216-E219 PolarHBondContact O-N 2.69Å; E219-H223 PolarHBondContact O-CD2 3.05Å
220D74.8Confident76.7Confident105 Ų105125.9 Ų125.956%0.56161%0.613SS**Hα-helixtrans-76.4-24.5177.1-75.7-20.8000113.6K216K216-D220 WeakPolarHBondContact O-CB 3.48Å; K216-D220 PolarHBondContact O-N 3.42Å
221G63.4Low75.6Confident37 Ų37127.4 Ų127.438%0.38162%0.619SS.*Hα-helixtrans-72.2-4217600000112.5L217 E218 H223 K224L217-G221 PolarHBondContact O-N 2.92Å; E218-G221 PolarHBondContact O-N 3.36Å; G221-H223 PolarHBondContact O-N 3.16Å; G221-K224 PolarHBondContact O-N 3.43Å; G221-K224 VanDerWaalsContact O-N 3.16Å
222D58.7Low74.4Confident124 Ų124126.7 Ų126.766%0.66362%0.62SS**Hα-helixtrans-64.4-29178.4-119.416.6000112.3E218 K224E218-D222 PolarHBondContact O-N 3.41Å; D222-K224 VanDerWaalsContact C-N 3.31Å; D222-K224 PolarHBondContact O-N 3.47Å
223H56.4Low73Confident159 Ų159133.1 Ų133.174%0.73664%0.637SS**THydrogen-bonded Turntrans-76.8-9.9177-87.1-55.6000114.9E219 G221E219-H223 PolarHBondContact O-CD2 3.05Å; G221-H223 PolarHBondContact O-N 3.16Å
224K53.4Low71.5Confident189 Ų189136.2 Ų136.282%0.82265%0.652SS**THydrogen-bonded Turntrans-101.1-8.3178.8-76.3-177.8180172.50114.2G221 D222G221-K224 PolarHBondContact O-N 3.43Å; G221-K224 VanDerWaalsContact O-N 3.16Å; D222-K224 VanDerWaalsContact C-N 3.31Å; D222-K224 PolarHBondContact O-N 3.47Å
225E50.1Low69.7Low168 Ų168140 Ų14079%0.78567%0.668SS**  trans-98.811177.7-68.9-162.6153.100114.1
226H45Very low67.8Low245 Ų245138.3 Ų138.3100%1.13467%0.674SS**  trans-115.20172.1-84.7-27.2000113.5

Retrieved 226 of 226 residues in 367.3 ms (Link to these results)

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