A0A096NDR4_PAPAN Loading...

Adenylate kinase 4, mitochondrial

Broad-specificity mitochondrial nucleoside phosphate kinase involved in cellular nucleotide homeostasis by catalyzing nucleoside-phosphate interconversions. Similar to other adenylate kinases, preferentially catalyzes the phosphorylation of the nucleoside monophosphate AMP with ATP as phosphate donor to produce ADP. Phosphorylates only AMP when using GTP as phosphate donor. In vitro, can also catalyze the phosphorylation of CMP, dAMP and dCMP and use GTP as an alternate phosphate donor. Moreover, exhibits a diphosphate kinase activity, producing ATP, CTP, GTP, UTP, TTP, dATP, dCTP and dGTP from the corresponding diphosphate substrates with either ATP or GTP as phosphate donors. Plays a role in controlling cellular ATP levels by regulating phosphorylation and activation of the energy sensor protein kinase AMPK. Plays a protective role in the cellular response to oxidative stress. Involved in maintaining the homeostasis of cellular nucleotides by catalyzing the interconversion of nucleoside phosphates. Efficiently phosphorylates AMP and dAMP using ATP as phosphate donor, but phosphorylates only AMP when using GTP as phosphate donor. Also displays broad nucleoside diphosphate kinase activity.

AlphaFold DB (A0A2K6QAK8), UniProt , Accession A0A096NDR4, Species PAPAN (Papio anubis, Olive baboon), Gene AK4, Length 223 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
1M36.7Very low83.3Confident244 Ų24461.6 Ų61.6100%1.20235%0.346SS*.  0121.40-73-175.3-106.800107S3M1-S3 PolarHBondContact O-N 3.21Å
2A49.1Very low84.2Confident105 Ų10556.8 Ų56.887%0.86832%0.32SS*.PPolyproline II helixtrans-59.5131.5172.600000108.2K4A2-K4 PolarHBondContact O-N 3.32Å
3S67.8Low84.8Confident97 Ų9753.5 Ų53.568%0.67830%0.302SS*.PPolyproline II helixtrans-60.6134177.347.20000109.2M1 L5M1-S3 PolarHBondContact O-N 3.21Å; S3-L5 PolarHBondContact O-N 3.28Å
4K86.3Confident85Confident136 Ų13651.3 Ų51.359%0.59129%0.291SS*.PPolyproline II helixtrans-59.2125176.6-171.1-176.4-173.3-1690107.8A2 L6 E105 D107A2-K4 PolarHBondContact O-N 3.32Å; K4-L6 PolarHBondContact O-N 3.1Å; K4-E105 IonicContact NZ-OE2 3.09Å; K4-E105 PolarHBondContact NZ-OE2 3.5Å; K4-D107 VanDerWaalsContact CE-OD1 3.28Å; K4-D107 WeakPolarHBondContact CE-OD1 3.35Å; K4-D107 IonicContact NZ-OD1 3.59Å; K4-D107 PolarHBondContact NZ-OD1 3.43Å
5L94.6Very high85.2Confident53 Ų5349.3 Ų49.328%0.27729%0.287SS..PPolyproline II helixtrans-72.7119178.4-65.6172.2000110S3 R7 R81 G82S3-L5 PolarHBondContact O-N 3.28Å; L5-R7 VanDerWaalsContact CB-NH1 3.27Å; L5-R7 PolarHBondContact O-NH1 3.4Å; L5-R81 VanDerWaalsContact CD1-O 3.29Å; L5-R81 WeakPolarHBondContact CD1-O 3.46Å; L5-G82 VanDerWaalsContact CD1-C 3.44Å
6L95.9Very high85.6Confident7 Ų746.3 Ų46.34%0.03727%0.269CS..PPolyproline II helixtrans-52.1134.1173.2-17764.2000113.5K4 A8 L31 H84 W85 D107 L108 F210 K213 I214K4-L6 PolarHBondContact O-N 3.1Å; L6-A8 HydrophobicContact CD1-CB 4.4Å; L6-A8 HydrophobicContact CD2-CB 4.14Å; L6-A8 HydrophobicContact CG-CB 4.09Å; L6-L31 HydrophobicContact CD2-CD1 4.28Å; L6-H84 HydrophobicContact CB-CB 4.45Å; L6-H84 PolarHBondContact N-ND1 2.91Å; L6-H84 WeakPolarHBondContact O-CA 3.5Å; L6-W85 PolarHBondContact O-N 3.4Å; L6-D107 HydrophobicContact CD1-CB 4.23Å; L6-L108 HydrophobicContact CD1-CB 4.45Å; L6-F210 HydrophobicContact CD2-CD1 3.99Å; L6-F210 HydrophobicContact CD2-CE1 3.79Å; L6-K213 HydrophobicContact CD1-CB 4.16Å; L6-K213 HydrophobicContact CD1-CG 4.38Å; L6-I214 HydrophobicContact CB-CG2 4.17Å; L6-I214 HydrophobicContact CD2-CD1 3.9Å; L6-I214 HydrophobicContact CD2-CG1 4.26Å; L6-I214 HydrophobicContact CD2-CG2 4.1Å
7R97.2Very high85.8Confident28 Ų2844.5 Ų44.511%0.10626%0.263CS..EExtended strand (participates in β ladder)trans-119.894.2168.6-56.2-67.5175.3-108.19.3109.3L5 R81 Q83 C104 E105 D107 L108L5-R7 VanDerWaalsContact CB-NH1 3.27Å; L5-R7 PolarHBondContact O-NH1 3.4Å; R7-R81 PolarHBondContact NH2-O 3.43Å; R7-Q83 PolarHBondContact NH1-O 3.01Å; R7-C104 HydrophobicContact CG-CB 4.03Å; R7-E105 WeakPolarHBondContact CB-O 3.42Å; R7-E105 WeakPolarHBondContact CG-O 3.07Å; R7-D107 PolarHBondContact N-OD2 3.03Å; R7-D107 PolarHBondContact O-N 3.36Å; R7-L108 PolarHBondContact O-N 3.31Å
8A97.8Very high86.1Confident0 Ų044.5 Ų44.50%026%0.259CS..EExtended strand (participates in β ladder)trans-109.6142.5-177.100000112.5L6 W85 L86 L87 L108 F210L6-A8 HydrophobicContact CD1-CB 4.4Å; L6-A8 HydrophobicContact CD2-CB 4.14Å; L6-A8 HydrophobicContact CG-CB 4.09Å; A8-W85 PolarHBondContact N-O 2.82Å; A8-L86 HydrophobicContact CB-CD1 4.31Å; A8-L87 PolarHBondContact O-N 3.16Å; A8-L108 CarbonylContact C-O 3.59Å; A8-L108 VanDerWaalsContact CA-O 3.28Å; A8-L108 WeakPolarHBondContact CA-O 3.42Å; A8-L108 HydrophobicContact CB-CB 4.32Å; A8-L108 HydrophobicContact CB-CD2 4.36Å; A8-F210 HydrophobicContact CB-CE1 3.97Å; A8-F210 HydrophobicContact CB-CZ 3.78Å
9V98Very high86.3Confident1 Ų143.7 Ų43.71%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-126.8133.8177.2177.10000109.5L11 L87 F90 L100 V106 L108 V109 I110V9-L11 HydrophobicContact CG1-CD2 3.53Å; V9-L11 HydrophobicContact CG1-CG 3.8Å; V9-L87 WeakPolarHBondContact CA-O 3.39Å; V9-L87 HydrophobicContact CG2-CB 4.2Å; V9-L87 HydrophobicContact CG2-CD1 4.1Å; V9-L87 HydrophobicContact CG2-CG 4.41Å; V9-F90 WeakPolarHBondContact CG1-O 3.47Å; V9-L100 HydrophobicContact CG2-CD2 4.46Å; V9-V106 HydrophobicContact CG2-CG1 3.81Å; V9-L108 PolarHBondContact N-O 3.29Å; V9-V109 HydrophobicContact CB-CG1 4.24Å; V9-V109 HydrophobicContact CB-CG2 4.12Å; V9-V109 HydrophobicContact CG1-CG1 4.28Å; V9-V109 CarbonylContact O-C 3.54Å; V9-V109 WeakPolarHBondContact O-CA 3.47Å; V9-I110 PolarHBondContact O-N 3.42Å
10I97.3Very high86.4Confident0 Ų043.6 Ų43.60%026%0.261CS..EExtended strand (participates in β ladder)trans-111.9117.7169.8-48.1-59.9000109K18 C22 I25 L86 L87 G89 I110 F210I10-K18 HydrophobicContact CG2-CB 3.96Å; I10-C22 VanDerWaalsContact CG1-SG 3.51Å; I10-I25 HydrophobicContact CD1-CD1 4Å; I10-I25 HydrophobicContact CG1-CD1 4.29Å; I10-L86 HydrophobicContact CD1-CD1 4.16Å; I10-L86 HydrophobicContact CG1-CD1 3.73Å; I10-L87 PolarHBondContact N-O 3.06Å; I10-G89 PolarHBondContact O-N 3.19Å; I10-I110 CarbonylContact C-O 3.54Å; I10-I110 WeakPolarHBondContact CA-O 2.95Å; I10-I110 HydrophobicContact CD1-CB 3.71Å; I10-I110 HydrophobicContact CD1-CD1 3.83Å; I10-I110 HydrophobicContact CD1-CG1 4.01Å; I10-F210 HydrophobicContact CD1-CE2 4.24Å; I10-F210 HydrophobicContact CD1-CZ 4.36Å
11L96.2Very high86.7Confident7 Ų741.6 Ų41.64%0.03725%0.249CC..EExtended strand (participates in β ladder)trans-108.4144.7176.7-57-178.3000110V9 P91 V109 I110 S111 L112 V181 I182 Y185V9-L11 HydrophobicContact CG1-CD2 3.53Å; V9-L11 HydrophobicContact CG1-CG 3.8Å; L11-P91 VanDerWaalsContact CD2-O 3.31Å; L11-P91 WeakPolarHBondContact CD2-O 3.24Å; L11-V109 HydrophobicContact CD1-CG1 3.8Å; L11-V109 HydrophobicContact CG-CG1 4.05Å; L11-I110 PolarHBondContact N-O 3.12Å; L11-S111 CarbonylContact O-C 3Å; L11-S111 WeakPolarHBondContact O-CA 3.26Å; L11-L112 PolarHBondContact O-N 3.24Å; L11-V181 HydrophobicContact CD1-CG1 3.93Å; L11-I182 HydrophobicContact CD1-CG1 4.41Å; L11-Y185 HydrophobicContact CD1-CD2 4.41Å
12G94Very high89.4Confident4 Ų430 Ų304%0.04119%0.192CC..  trans177.5156.9170.200000111.4Y174G12-Y174 VanDerWaalsContact CA-OH 3.22Å; G12-Y174 WeakPolarHBondContact CA-OH 3.35Å; G12-Y174 PolarHBondContact N-OH 3.11Å; G12-Y174 VanDerWaalsContact N-OH 3.16Å; G12-Y174 WeakPolarHBondContact O-CE2 3.45Å
13P92.1Very high91.3Very high13 Ų1330.1 Ų30.18%0.08417%0.174CC..  trans-62.9162.1176.223.4-30.5000111.6G15 S16 L112 L119 L171 Y174P13-G15 PolarHBondContact O-N 2.97Å; P13-S16 WeakPolarHBondContact O-CB 3.47Å; P13-S16 PolarHBondContact O-N 3.29Å; P13-S16 VanDerWaalsContact O-N 3.12Å; P13-S16 PolarHBondContact O-OG 3.39Å; P13-L112 WeakPolarHBondContact CD-O 3.44Å; P13-L119 HydrophobicContact CB-CD1 3.8Å; P13-L119 HydrophobicContact CG-CD1 3.32Å; P13-L119 HydrophobicContact CG-CD2 4.13Å; P13-L119 HydrophobicContact CG-CG 4.37Å; P13-L171 HydrophobicContact CB-CD2 3.65Å; P13-Y174 HydrophobicContact CB-CD1 3.58Å; P13-Y174 HydrophobicContact CB-CE1 3.75Å; P13-Y174 HydrophobicContact CB-CG 4.12Å; P13-Y174 HydrophobicContact CG-CD1 4.41Å; P13-Y174 HydrophobicContact CG-CE1 4.17Å
14P87.7Confident92.4Very high23 Ų2328.4 Ų28.415%0.14915%0.153CC..THydrogen-bonded Turntrans-48.3136164.1-25.334.3000111S16 L123P14-S16 VanDerWaalsContact C-N 3.31Å; P14-S16 PolarHBondContact O-N 3.5Å; P14-L123 HydrophobicContact CB-CD1 4.2Å; P14-L123 HydrophobicContact CB-CD2 4.49Å
15G87.9Confident92.8Very high22 Ų2222 Ų2223%0.22713%0.125CC..THydrogen-bonded Turntrans82-5-177.700000116P13 G17 R122P13-G15 PolarHBondContact O-N 2.97Å; G15-G17 PolarHBondContact O-N 3.5Å; G15-R122 VanDerWaalsContact O-CD 3.26Å; G15-R122 WeakPolarHBondContact O-CD 3.36Å; G15-R122 PolarHBondContact O-NH1 2.84Å; G15-R122 VanDerWaalsContact O-NH1 3.08Å
16S91.4Very high92.7Very high0 Ų020.4 Ų20.40%012%0.12CC..SBendtrans-67.3-19.6-178.554.90000115.1P13 P14 L119 R122P13-S16 WeakPolarHBondContact O-CB 3.47Å; P13-S16 PolarHBondContact O-N 3.29Å; P13-S16 VanDerWaalsContact O-N 3.12Å; P13-S16 PolarHBondContact O-OG 3.39Å; P14-S16 VanDerWaalsContact C-N 3.31Å; P14-S16 PolarHBondContact O-N 3.5Å; S16-L119 VanDerWaalsContact N-CD2 3.34Å; S16-R122 PolarHBondContact O-NH1 3.46Å; S16-R122 VanDerWaalsContact O-NH1 3.16Å
17G88.6Confident92.5Very high16 Ų1625.3 Ų25.317%0.16514%0.142CC..SBendtrans92.97.7-174.500000114.3G15 G19 T20 V21G15-G17 PolarHBondContact O-N 3.5Å; G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3.43Å; G17-T20 WeakPolarHBondContact O-CB 3.44Å; G17-T20 PolarHBondContact O-N 3.44Å; G17-T20 VanDerWaalsContact O-N 3.11Å; G17-V21 WeakPolarHBondContact O-CG2 3.41Å; G17-V21 PolarHBondContact O-N 3.06Å
18K91.3Very high92.3Very high45 Ų4524.6 Ų24.620%0.19614%0.141CC..Hα-helixtrans-50.6-42.9178.765.1-174.3-161.8-51.40114.2I10 V21 C22 D88 L112I10-K18 HydrophobicContact CG2-CB 3.96Å; K18-V21 PolarHBondContact O-N 2.86Å; K18-C22 WeakPolarHBondContact O-CB 3.41Å; K18-C22 PolarHBondContact O-N 2.99Å; K18-C22 PolarHBondContact O-SG 3.34Å; K18-D88 VanDerWaalsContact CD-OD1 3.29Å; K18-D88 WeakPolarHBondContact CD-OD1 3.17Å; K18-D88 VanDerWaalsContact CE-OD1 3.24Å; K18-D88 WeakPolarHBondContact CE-OD1 3.42Å; K18-D88 WeakPolarHBondContact CG-OD1 3.25Å; K18-L112 HydrophobicContact CB-CD1 4.02Å
19G89.4Confident92.1Very high29 Ų2925.2 Ų25.230%0.29914%0.143SC..Hα-helixtrans-65.1-43.617900000112.3G17 V21 C22 Q23G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3.43Å; G19-V21 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 2.9Å; G19-C22 PolarHBondContact O-N 3.46Å; G19-Q23 WeakPolarHBondContact O-CB 3.5Å; G19-Q23 PolarHBondContact O-N 3.2Å
20T88.9Confident91.8Very high42 Ų4227.6 Ų27.626%0.25817%0.168SC..Hα-helixtrans-60-44.9174.1-51.20000111.4G17 Q23 R24 F140 T199G17-T20 WeakPolarHBondContact O-CB 3.44Å; G17-T20 PolarHBondContact O-N 3.44Å; G17-T20 VanDerWaalsContact O-N 3.11Å; T20-Q23 PolarHBondContact O-N 3.05Å; T20-R24 WeakPolarHBondContact O-CG 3.27Å; T20-R24 PolarHBondContact O-N 3.39Å; T20-F140 HydrophobicContact CG2-CE1 3.8Å; T20-F140 HydrophobicContact CG2-CZ 4.06Å; T20-T199 HydrophobicContact CG2-CG2 4.31Å
21V91.6Very high91.6Very high1 Ų128.1 Ų28.11%0.00617%0.171CC..Hα-helixtrans-63.1-47.1177.1172.80000110.6G17 K18 G19 Q23 R24 I25 L112 T199 I202 V206G17-V21 WeakPolarHBondContact O-CG2 3.41Å; G17-V21 PolarHBondContact O-N 3.06Å; K18-V21 PolarHBondContact O-N 2.86Å; G19-V21 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 2.9Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.48Å; V21-R24 PolarHBondContact O-N 2.9Å; V21-I25 HydrophobicContact CG1-CD1 3.87Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.21Å; V21-L112 HydrophobicContact CG2-CD1 4.25Å; V21-T199 HydrophobicContact CG2-CG2 4.16Å; V21-I202 HydrophobicContact CG2-CG2 3.91Å; V21-V206 HydrophobicContact CG1-CB 4.3Å; V21-V206 HydrophobicContact CG1-CG1 3.76Å; V21-V206 HydrophobicContact CG1-CG2 4.07Å
22C93.6Very high91.3Very high0 Ų031.8 Ų31.80%019%0.188CC..Hα-helixtrans-59.6-41.6177.3-72.30000112.8I10 K18 G19 I25 A26 L86I10-C22 VanDerWaalsContact CG1-SG 3.51Å; K18-C22 WeakPolarHBondContact O-CB 3.41Å; K18-C22 PolarHBondContact O-N 2.99Å; K18-C22 PolarHBondContact O-SG 3.34Å; G19-C22 PolarHBondContact O-N 3.46Å; C22-I25 PolarHBondContact O-N 2.75Å; C22-A26 WeakPolarHBondContact O-CB 3.04Å; C22-A26 PolarHBondContact O-N 2.87Å; C22-L86 HydrophobicContact CB-CD2 4.1Å
23Q90.2Very high91.1Very high108 Ų10834.3 Ų34.351%0.50520%0.199SC..Hα-helixtrans-63-44.2176.6-173.3179.34.600111.6G19 T20 V21 I25 A26 Q27G19-Q23 WeakPolarHBondContact O-CB 3.5Å; G19-Q23 PolarHBondContact O-N 3.2Å; T20-Q23 PolarHBondContact O-N 3.05Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.48Å; Q23-I25 PolarHBondContact O-N 2.91Å; Q23-A26 PolarHBondContact O-N 3.05Å; Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.37Å
24R91.6Very high91.2Very high62 Ų6233.8 Ų33.823%0.23420%0.195CC..Hα-helixtrans-63.3-40.7175.5-70.8-175.4179.9-177.92.8111.9T20 V21 Q27 N28 N200 W203T20-R24 WeakPolarHBondContact O-CG 3.27Å; T20-R24 PolarHBondContact O-N 3.39Å; V21-R24 PolarHBondContact O-N 2.9Å; R24-Q27 PolarHBondContact O-N 3.15Å; R24-N28 WeakPolarHBondContact O-CB 3.4Å; R24-N28 PolarHBondContact O-N 3.28Å; R24-N28 PolarHBondContact O-ND2 3.38Å; R24-N200 PolarHBondContact NH1-OD1 3.25Å; R24-N200 PolarHBondContact NH2-OD1 2.96Å; R24-W203 VanDerWaalsContact C-CH2 3.47Å; R24-W203 HydrophobicContact CB-CD2 4.12Å; R24-W203 HydrophobicContact CB-CE3 3.66Å; R24-W203 HydrophobicContact CB-CH2 3.53Å; R24-W203 HydrophobicContact CB-CZ2 3.98Å; R24-W203 HydrophobicContact CB-CZ3 3.35Å; R24-W203 HydrophobicContact CG-CE3 4.45Å; R24-W203 WeakPolarHBondContact O-CH2 3.31Å
25I94Very high91.5Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-60.3-50.3174.1-63.9161.6000109.9I10 V21 C22 Q23 Q27 N28 F29 L31 L86 W203 V206 F210I10-I25 HydrophobicContact CD1-CD1 4Å; I10-I25 HydrophobicContact CG1-CD1 4.29Å; V21-I25 HydrophobicContact CG1-CD1 3.87Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.21Å; C22-I25 PolarHBondContact O-N 2.75Å; Q23-I25 PolarHBondContact O-N 2.91Å; I25-Q27 VanDerWaalsContact C-N 3.29Å; I25-Q27 PolarHBondContact O-N 3.3Å; I25-N28 PolarHBondContact O-N 3.31Å; I25-F29 HydrophobicContact CG2-CD2 3.99Å; I25-F29 WeakPolarHBondContact O-CB 3.28Å; I25-F29 WeakPolarHBondContact O-CD2 3.41Å; I25-F29 PolarHBondContact O-N 3.44Å; I25-L31 HydrophobicContact CG2-CD1 3.83Å; I25-L86 HydrophobicContact CB-CD2 3.81Å; I25-L86 HydrophobicContact CD1-CD1 3.96Å; I25-L86 HydrophobicContact CD1-CD2 4.28Å; I25-L86 HydrophobicContact CG2-CD1 4.38Å; I25-L86 HydrophobicContact CG2-CD2 3.7Å; I25-W203 HydrophobicContact CG1-CZ3 3.9Å; I25-V206 HydrophobicContact CD1-CG1 3.75Å; I25-V206 HydrophobicContact CG1-CG1 3.93Å; I25-F210 HydrophobicContact CD1-CD2 4.06Å; I25-F210 HydrophobicContact CD1-CE1 4.41Å; I25-F210 HydrophobicContact CD1-CE2 3.41Å; I25-F210 VanDerWaalsContact CD1-CE2 3.41Å; I25-F210 HydrophobicContact CD1-CZ 3.63Å; I25-F210 HydrophobicContact CG1-CD2 4.2Å; I25-F210 HydrophobicContact CG1-CE2 4.03Å; I25-F210 HydrophobicContact CG1-CZ 4.3Å; I25-F210 HydrophobicContact CG2-CD1 3.69Å; I25-F210 HydrophobicContact CG2-CD2 4.44Å; I25-F210 HydrophobicContact CG2-CE1 3.54Å; I25-F210 HydrophobicContact CG2-CE2 4.31Å; I25-F210 HydrophobicContact CG2-CG 4.16Å; I25-F210 HydrophobicContact CG2-CZ 3.88Å
26A92.4Very high91.6Very high20 Ų2032.6 Ų32.617%0.16518%0.184CC..Hα-helixtrans-54.7-45.5-179.500000111.9C22 Q23 G30 L31 H33C22-A26 WeakPolarHBondContact O-CB 3.04Å; C22-A26 PolarHBondContact O-N 2.87Å; Q23-A26 PolarHBondContact O-N 3.05Å; A26-G30 VanDerWaalsContact O-CA 3.31Å; A26-G30 WeakPolarHBondContact O-CA 3.46Å; A26-G30 PolarHBondContact O-N 3.32Å; A26-L31 VanDerWaalsContact CA-O 3.25Å; A26-L31 WeakPolarHBondContact CA-O 3.38Å; A26-L31 WeakPolarHBondContact CB-O 3.4Å; A26-L31 PolarHBondContact O-N 3.41Å; A26-H33 HydrophobicContact CB-CB 4.38Å
27Q91.7Very high91.4Very high110 Ų11033.8 Ų33.851%0.51420%0.196SC..Hα-helixtrans-66.2-46.2178.1-71.1167.6-23.100113.1Q23 R24 I25Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.37Å; R24-Q27 PolarHBondContact O-N 3.15Å; I25-Q27 VanDerWaalsContact C-N 3.29Å; I25-Q27 PolarHBondContact O-N 3.3Å
28N92.6Very high91.4Very high14 Ų1435.9 Ų35.98%0.07520%0.201CC..Hα-helixtrans-79.4-22.3-173.9-77.6-91.7000113.6R24 I25 W203 Y207 P216 I217R24-N28 WeakPolarHBondContact O-CB 3.4Å; R24-N28 PolarHBondContact O-N 3.28Å; R24-N28 PolarHBondContact O-ND2 3.38Å; I25-N28 PolarHBondContact O-N 3.31Å; N28-W203 HydrophobicContact CB-CH2 4.22Å; N28-W203 HydrophobicContact CB-CZ2 4.3Å; N28-W203 WeakPolarHBondContact ND2-CZ2 3.43Å; N28-Y207 HydrophobicContact CB-CE2 4.31Å; N28-P216 CarbonylContact O-C 3.52Å; N28-P216 WeakPolarHBondContact O-CA 2.97Å; N28-I217 PolarHBondContact O-N 3.48Å
29F93.9Very high91.4Very high12 Ų1233.7 Ų33.75%0.05319%0.192CC..Hα-helixtrans-122.91.4-173.5-65.2-84.3000113.9I25 L31 Y207 F210 I214 P216I25-F29 HydrophobicContact CG2-CD2 3.99Å; I25-F29 WeakPolarHBondContact O-CB 3.28Å; I25-F29 WeakPolarHBondContact O-CD2 3.41Å; I25-F29 PolarHBondContact O-N 3.44Å; F29-L31 HydrophobicContact CB-CD1 4.49Å; F29-L31 HydrophobicContact CB-CG 4.01Å; F29-L31 PolarHBondContact O-N 2.91Å; F29-Y207 AromaticContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CE2 4.06Å; F29-Y207 AromaticContact CZ-CD2 3.81Å; F29-Y207 HydrophobicContact CZ-CD2 3.81Å; F29-Y207 AromaticContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CG 4.41Å; F29-F210 HydrophobicContact CD1-CB 4.31Å; F29-F210 HydrophobicContact CD2-CB 4.07Å; F29-F210 HydrophobicContact CE1-CB 3.78Å; F29-F210 HydrophobicContact CE2-CB 3.54Å; F29-F210 HydrophobicContact CE2-CG 4.33Å; F29-F210 HydrophobicContact CG-CB 4.44Å; F29-F210 HydrophobicContact CZ-CB 3.37Å; F29-I214 HydrophobicContact CB-CD1 3.58Å; F29-I214 HydrophobicContact CB-CG1 4.4Å; F29-I214 HydrophobicContact CD1-CD1 3.75Å; F29-I214 HydrophobicContact CD1-CG1 3.61Å; F29-I214 HydrophobicContact CE1-CG1 4.2Å; F29-I214 HydrophobicContact CG-CD1 3.87Å; F29-I214 HydrophobicContact CG-CG1 4.24Å; F29-P216 HydrophobicContact CD1-CB 4.22Å; F29-P216 HydrophobicContact CD1-CG 4.3Å; F29-P216 HydrophobicContact CE1-CB 3.95Å; F29-P216 HydrophobicContact CE1-CG 3.62Å; F29-P216 HydrophobicContact CZ-CG 4.21Å
30G91.3Very high91.5Very high51 Ų5133.3 Ų33.353%0.52618%0.183SC..THydrogen-bonded Turntrans67.326.3179.500000113.8A26A26-G30 VanDerWaalsContact O-CA 3.31Å; A26-G30 WeakPolarHBondContact O-CA 3.46Å; A26-G30 PolarHBondContact O-N 3.32Å
31L92.2Very high91.5Very high12 Ų1238.2 Ų38.26%0.06320%0.196CC..  trans-88.5144-179.6-61.4-169.8000110.9L6 I25 A26 F29 H84 L86 F210 I214L6-L31 HydrophobicContact CD2-CD1 4.28Å; I25-L31 HydrophobicContact CG2-CD1 3.83Å; A26-L31 VanDerWaalsContact CA-O 3.25Å; A26-L31 WeakPolarHBondContact CA-O 3.38Å; A26-L31 WeakPolarHBondContact CB-O 3.4Å; A26-L31 PolarHBondContact O-N 3.41Å; F29-L31 HydrophobicContact CB-CD1 4.49Å; F29-L31 HydrophobicContact CB-CG 4.01Å; F29-L31 PolarHBondContact O-N 2.91Å; L31-H84 HydrophobicContact CD2-CB 3.42Å; L31-H84 VanDerWaalsContact CD2-CB 3.42Å; L31-L86 HydrophobicContact CB-CB 4.42Å; L31-L86 HydrophobicContact CD1-CB 4.24Å; L31-F210 HydrophobicContact CD1-CD1 4.17Å; L31-F210 HydrophobicContact CD1-CE1 3.79Å; L31-I214 HydrophobicContact CD1-CD1 3.68Å; L31-I214 HydrophobicContact CD2-CD1 3.83Å; L31-I214 HydrophobicContact CG-CD1 3.88Å
32Q89.9Confident91.4Very high83 Ų8342.3 Ų42.339%0.38822%0.216SC..  trans-77.8127.3167.4-167177.94.900109.6L34Q32-L34 HydrophobicContact CB-CD2 4Å; Q32-L34 HydrophobicContact CG-CD2 3.65Å; Q32-L34 PolarHBondContact O-N 3.34Å
33H91Very high91.4Very high58 Ų5843.3 Ų43.327%0.26922%0.221SC..EExtended strand (participates in β ladder)trans-78.3111.1172.9173.3-160.2000109.7A26 D88A26-H33 HydrophobicContact CB-CB 4.38Å; H33-D88 IonicContact CE1-OD2 3.64Å; H33-D88 PolarHBondContact CE1-OD2 3.17Å; H33-D88 WeakPolarHBondContact NE2-CB 3.34Å; H33-D88 IonicContact NE2-OD2 3.29Å; H33-D88 PolarHBondContact NE2-OD2 3.42Å
34L94.5Very high91.4Very high1 Ų140 Ų401%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-104.1116.3-177.8-47.2177.8000108.6Q32 F39 L77 W85 L86 L87 D88Q32-L34 HydrophobicContact CB-CD2 4Å; Q32-L34 HydrophobicContact CG-CD2 3.65Å; Q32-L34 PolarHBondContact O-N 3.34Å; L34-F39 HydrophobicContact CB-CE2 4Å; L34-F39 HydrophobicContact CB-CZ 4.09Å; L34-F39 HydrophobicContact CD2-CZ 3.79Å; L34-F39 HydrophobicContact CG-CZ 4.49Å; L34-L77 HydrophobicContact CD1-CD2 3.69Å; L34-W85 HydrophobicContact CD1-CB 4.11Å; L34-W85 HydrophobicContact CD1-CG 4.1Å; L34-L86 PolarHBondContact N-O 2.97Å; L34-L87 HydrophobicContact CB-CD2 3.91Å; L34-L87 HydrophobicContact CD1-CD2 3.82Å; L34-L87 HydrophobicContact CG-CD2 4.43Å; L34-L87 WeakPolarHBondContact O-CA 3.13Å; L34-D88 PolarHBondContact O-N 2.97Å
35S93.4Very high91.4Very high15 Ų1546 Ų4611%0.10523%0.234CC..EExtended strand (participates in β ladder)trans-133.4140.6176.9770000111.1G37 H38 F39S35-G37 PolarHBondContact O-N 3.06Å; S35-H38 PolarHBondContact O-N 3.21Å; S35-H38 VanDerWaalsContact O-N 3.11Å; S35-H38 WeakPolarHBondContact OG-CB 3.44Å; S35-H38 PolarHBondContact OG-N 2.9Å; S35-H38 VanDerWaalsContact OG-N 3.16Å; S35-F39 WeakPolarHBondContact O-CD2 3.39Å; S35-F39 PolarHBondContact O-N 2.8Å; S35-F39 VanDerWaalsContact O-N 3.13Å
36S90.7Very high91.3Very high6 Ų649.2 Ų49.24%0.04226%0.261CS..Hα-helixtrans-58.5-38.5177.6530000112H38 F39 L40 M73S36-H38 VanDerWaalsContact C-N 3.35Å; S36-H38 PolarHBondContact O-N 3.33Å; S36-F39 PolarHBondContact O-N 3.03Å; S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 PolarHBondContact O-N 3.03Å; S36-M73 VanDerWaalsContact CA-SD 3.5Å
37G86.8Confident91.4Very high24 Ų2453.2 Ų53.225%0.24728%0.28CS..Hα-helixtrans-64.3-36.1177.100000113.5S35 R41S35-G37 PolarHBondContact O-N 3.06Å; G37-R41 WeakPolarHBondContact O-CG 2.91Å; G37-R41 VanDerWaalsContact O-CZ 3.23Å; G37-R41 PolarHBondContact O-N 3.09Å; G37-R41 PolarHBondContact O-NH1 2.84Å; G37-R41 VanDerWaalsContact O-NH1 3.1Å
38H88.4Confident91.5Very high60 Ų6050.2 Ų50.228%0.27827%0.269SS..Hα-helixtrans-67.3-53.7175.4171.458.5000111.1S35 S36 L40 R41 E42S35-H38 PolarHBondContact O-N 3.21Å; S35-H38 VanDerWaalsContact O-N 3.11Å; S35-H38 WeakPolarHBondContact OG-CB 3.44Å; S35-H38 PolarHBondContact OG-N 2.9Å; S35-H38 VanDerWaalsContact OG-N 3.16Å; S36-H38 VanDerWaalsContact C-N 3.35Å; S36-H38 PolarHBondContact O-N 3.33Å; H38-L40 PolarHBondContact O-N 2.75Å; H38-R41 PolarHBondContact O-N 2.87Å; H38-R41 VanDerWaalsContact O-N 3.1Å; H38-E42 IonicContact CE1-OE1 2.63Å; H38-E42 PolarHBondContact CE1-OE1 2.79Å; H38-E42 IonicContact CE1-OE2 3.04Å; H38-E42 IonicContact NE2-OE1 2.82Å; H38-E42 PolarHBondContact NE2-OE1 2.92Å; H38-E42 IonicContact NE2-OE2 2.91Å; H38-E42 PolarHBondContact O-N 3.31Å
39F91.9Very high91.4Very high0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-61.3-34.6179.2-63.2-44.3000112.7L34 S35 S36 E42 N43 L72 M73 E76L34-F39 HydrophobicContact CB-CE2 4Å; L34-F39 HydrophobicContact CB-CZ 4.09Å; L34-F39 HydrophobicContact CD2-CZ 3.79Å; L34-F39 HydrophobicContact CG-CZ 4.49Å; S35-F39 WeakPolarHBondContact O-CD2 3.39Å; S35-F39 PolarHBondContact O-N 2.8Å; S35-F39 VanDerWaalsContact O-N 3.13Å; S36-F39 PolarHBondContact O-N 3.03Å; F39-E42 PolarHBondContact O-N 3.14Å; F39-N43 WeakPolarHBondContact O-CB 3.37Å; F39-N43 PolarHBondContact O-N 3.27Å; F39-N43 PolarHBondContact O-ND2 2.74Å; F39-L72 HydrophobicContact CB-CD1 4.25Å; F39-L72 HydrophobicContact CB-CD2 4Å; F39-L72 HydrophobicContact CB-CG 4.15Å; F39-M73 HydrophobicContact CD2-CE 4.42Å; F39-M73 HydrophobicContact CD2-SD 3.69Å; F39-M73 HydrophobicContact CE2-CE 4.3Å; F39-M73 HydrophobicContact CE2-SD 4.16Å; F39-E76 HydrophobicContact CB-CG 4.2Å; F39-E76 HydrophobicContact CD1-CG 4.05Å; F39-E76 HydrophobicContact CD2-CB 4.06Å; F39-E76 HydrophobicContact CD2-CG 3.88Å; F39-E76 HydrophobicContact CE1-CG 4.37Å; F39-E76 HydrophobicContact CE2-CB 3.9Å; F39-E76 HydrophobicContact CE2-CG 4.19Å; F39-E76 HydrophobicContact CG-CB 4.42Å; F39-E76 HydrophobicContact CG-CG 3.8Å; F39-E76 HydrophobicContact CZ-CB 4.16Å; F39-E76 HydrophobicContact CZ-CG 4.43Å
40L91.1Very high91.3Very high20 Ų2055.8 Ų55.811%0.10530%0.296CS..Hα-helixtrans-62.5-45.4176.4-164.870.8000111S36 H38 N43 I44 A54 I58 V64 I69 L72S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 PolarHBondContact O-N 3.03Å; H38-L40 PolarHBondContact O-N 2.75Å; L40-N43 PolarHBondContact O-N 3.42Å; L40-I44 HydrophobicContact CG-CD1 4.15Å; L40-I44 WeakPolarHBondContact O-CB 3.47Å; L40-I44 WeakPolarHBondContact O-CD1 3.09Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 2.98Å; L40-A54 HydrophobicContact CD1-CB 3.35Å; L40-A54 HydrophobicContact CG-CB 4.09Å; L40-I58 HydrophobicContact CD2-CD1 4.16Å; L40-V64 HydrophobicContact CD2-CG2 4.18Å; L40-I69 HydrophobicContact CD1-CD1 4.07Å; L40-I69 HydrophobicContact CD2-CD1 4.24Å; L40-L72 HydrophobicContact CB-CD2 4.07Å; L40-L72 HydrophobicContact CD1-CD2 3.83Å
41R87.8Confident91.3Very high145 Ų14553.3 Ų53.355%0.54727%0.27SS..Hα-helixtrans-64.4-41.3176.7-73.9-173.7-63.3-86.42.9112.1G37 H38 K45G37-R41 WeakPolarHBondContact O-CG 2.91Å; G37-R41 VanDerWaalsContact O-CZ 3.23Å; G37-R41 PolarHBondContact O-N 3.09Å; G37-R41 PolarHBondContact O-NH1 2.84Å; G37-R41 VanDerWaalsContact O-NH1 3.1Å; H38-R41 PolarHBondContact O-N 2.87Å; H38-R41 VanDerWaalsContact O-N 3.1Å; R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 2.94Å
42E91.1Very high91.3Very high87 Ų8755.8 Ų55.841%0.40728%0.282SS..Hα-helixtrans-62.3-44.9176.1-69.7-170.3144.400111.7H38 F39 K45 A46H38-E42 IonicContact CE1-OE1 2.63Å; H38-E42 PolarHBondContact CE1-OE1 2.79Å; H38-E42 IonicContact CE1-OE2 3.04Å; H38-E42 IonicContact NE2-OE1 2.82Å; H38-E42 PolarHBondContact NE2-OE1 2.92Å; H38-E42 IonicContact NE2-OE2 2.91Å; H38-E42 PolarHBondContact O-N 3.31Å; F39-E42 PolarHBondContact O-N 3.14Å; E42-K45 PolarHBondContact O-N 2.89Å; E42-A46 VanDerWaalsContact O-CB 3.3Å; E42-A46 WeakPolarHBondContact O-CB 3.24Å; E42-A46 PolarHBondContact O-N 3.46Å
43N92.4Very high91.4Very high21 Ų2154.4 Ų54.411%0.11228%0.276CS..Hα-helixtrans-67.3-38.7179.9-85.9-97.2000112.4F39 L40 A46 N47 T48 L72 E76F39-N43 WeakPolarHBondContact O-CB 3.37Å; F39-N43 PolarHBondContact O-N 3.27Å; F39-N43 PolarHBondContact O-ND2 2.74Å; L40-N43 PolarHBondContact O-N 3.42Å; N43-A46 PolarHBondContact O-N 3.22Å; N43-N47 PolarHBondContact O-N 3.33Å; N43-N47 VanDerWaalsContact O-N 3.14Å; N43-T48 HydrophobicContact CB-CG2 4.48Å; N43-T48 WeakPolarHBondContact CB-OG1 3.3Å; N43-T48 PolarHBondContact O-N 2.97Å; N43-T48 VanDerWaalsContact O-N 3.13Å; N43-T48 WeakPolarHBondContact OD1-CG2 3.47Å; N43-T48 PolarHBondContact OD1-OG1 3.35Å; N43-L72 HydrophobicContact CB-CD1 4.38Å; N43-L72 WeakPolarHBondContact ND2-CD1 3.44Å; N43-E76 PolarHBondContact ND2-OE1 3.48Å
44I91.1Very high91.3Very high40 Ų4051.6 Ų51.621%0.20526%0.263CS..Hα-helixtrans-62.1-46.5171.8-70166.2000110.3L40 A46 N47 G51 A54 K55 I58L40-I44 HydrophobicContact CG-CD1 4.15Å; L40-I44 WeakPolarHBondContact O-CB 3.47Å; L40-I44 WeakPolarHBondContact O-CD1 3.09Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 2.98Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 2.78Å; I44-N47 PolarHBondContact O-N 2.95Å; I44-N47 PolarHBondContact O-OD1 3.32Å; I44-G51 WeakPolarHBondContact CG1-O 3.36Å; I44-A54 HydrophobicContact CD1-CB 4.39Å; I44-A54 HydrophobicContact CG1-CB 4.44Å; I44-K55 HydrophobicContact CG1-CB 4.38Å; I44-K55 HydrophobicContact CG2-CD 4.36Å; I44-I58 HydrophobicContact CD1-CD1 3.56Å
45K90.9Very high91.1Very high186 Ų18654.6 Ų54.681%0.80928%0.276SS*.Hα-helixtrans-64.4-34.9179.9-174.4179.5178.3-177.50112.5R41 E42 N47R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 2.94Å; E42-K45 PolarHBondContact O-N 2.89Å; K45-N47 VanDerWaalsContact C-N 3.3Å
46A93.2Very high91Very high68 Ų6858.6 Ų58.656%0.56229%0.293SS*.THydrogen-bonded Turntrans-84-0.4178.700000113.8E42 N43 I44 T48E42-A46 VanDerWaalsContact O-CB 3.3Å; E42-A46 WeakPolarHBondContact O-CB 3.24Å; E42-A46 PolarHBondContact O-N 3.46Å; N43-A46 PolarHBondContact O-N 3.22Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 2.78Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 HydrophobicContact CB-CG2 3.98Å; A46-T48 PolarHBondContact O-N 3.36Å
47N93.9Very high91Very high105 Ų10562 Ų6256%0.56131%0.305SS*.THydrogen-bonded Turntrans51.343-176.9-50.4-58.1000113.1N43 I44 K45 E52N43-N47 PolarHBondContact O-N 3.33Å; N43-N47 VanDerWaalsContact O-N 3.14Å; I44-N47 PolarHBondContact O-N 2.95Å; I44-N47 PolarHBondContact O-OD1 3.32Å; K45-N47 VanDerWaalsContact C-N 3.3Å; N47-E52 PolarHBondContact OD1-OE1 3.4Å
48T92.9Very high90.9Very high46 Ų4664.8 Ų64.828%0.28231%0.314SS..  trans-74.9162.4174.872.50000110.8N43 A46 V50 G51 E52N43-T48 HydrophobicContact CB-CG2 4.48Å; N43-T48 WeakPolarHBondContact CB-OG1 3.3Å; N43-T48 PolarHBondContact O-N 2.97Å; N43-T48 VanDerWaalsContact O-N 3.13Å; N43-T48 WeakPolarHBondContact OD1-CG2 3.47Å; N43-T48 PolarHBondContact OD1-OG1 3.35Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 HydrophobicContact CB-CG2 3.98Å; A46-T48 PolarHBondContact O-N 3.36Å; T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 PolarHBondContact O-N 3.48Å; T48-G51 CarbonylContact O-C 3.59Å; T48-G51 WeakPolarHBondContact O-CA 3.29Å; T48-G51 PolarHBondContact O-N 2.93Å; T48-G51 PolarHBondContact OG1-N 2.66Å; T48-E52 PolarHBondContact O-N 2.81Å
49E91.5Very high90.7Very high125 Ų12568.2 Ų68.258%0.58433%0.33SS*.Hα-helixtrans-52.2-46.8176.1-174.6-162.313800111.9M53 R71E49-M53 WeakPolarHBondContact O-CG 3.49Å; E49-M53 PolarHBondContact O-N 2.85Å; E49-R71 IonicContact OE1-CZ 3.43Å; E49-R71 IonicContact OE1-NH1 3.05Å; E49-R71 PolarHBondContact OE1-NH1 2.96Å; E49-R71 IonicContact OE1-NH2 3.96Å; E49-R71 PolarHBondContact OE1-NH2 3.08Å; E49-R71 IonicContact OE2-NH2 3.31Å
50V91.3Very high90.5Very high18 Ų1876.7 Ų76.711%0.10936%0.362CS..Hα-helixtrans-69.2-35.4178174.50000111.5T48 A54 V68 L72T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 PolarHBondContact O-N 3.48Å; V50-A54 WeakPolarHBondContact O-CB 3.34Å; V50-A54 PolarHBondContact O-N 3.49Å; V50-V68 HydrophobicContact CG1-CG1 4.1Å; V50-L72 HydrophobicContact CG1-CB 3.98Å; V50-L72 HydrophobicContact CG1-CD1 4.1Å; V50-L72 HydrophobicContact CG1-CG 4.48Å
51G91.9Very high89.8Confident0 Ų081.3 Ų81.30%040%0.396CS..Hα-helixtrans-62.3-48.9174.500000112.6I44 T48 A54 K55I44-G51 WeakPolarHBondContact CG1-O 3.36Å; T48-G51 CarbonylContact O-C 3.59Å; T48-G51 WeakPolarHBondContact O-CA 3.29Å; T48-G51 PolarHBondContact O-N 2.93Å; T48-G51 PolarHBondContact OG1-N 2.66Å; G51-A54 PolarHBondContact O-N 3.11Å; G51-K55 VanDerWaalsContact O-CB 3.31Å; G51-K55 WeakPolarHBondContact O-CB 3.28Å; G51-K55 PolarHBondContact O-N 2.82Å
52E92.3Very high89.5Confident64 Ų6478.8 Ų78.830%0.29939%0.393SS..Hα-helixtrans-63.9-41.6177.6-73.2-59.4149.800111.8N47 T48 A54 K55 Q56N47-E52 PolarHBondContact OD1-OE1 3.4Å; T48-E52 PolarHBondContact O-N 2.81Å; E52-A54 PolarHBondContact O-N 3.41Å; E52-K55 PolarHBondContact O-N 2.65Å; E52-Q56 WeakPolarHBondContact O-CG 3.41Å; E52-Q56 PolarHBondContact O-N 2.75Å; E52-Q56 VanDerWaalsContact O-N 3.13Å
53M90.4Very high88.9Confident53 Ų5381 Ų8126%0.26141%0.407SS..Hα-helixtrans-57.1-49.6171.7-76.8177.449.100111.7E49 K55 Q56 Y57 V68E49-M53 WeakPolarHBondContact O-CG 3.49Å; E49-M53 PolarHBondContact O-N 2.85Å; M53-K55 VanDerWaalsContact C-N 3.33Å; M53-K55 PolarHBondContact O-N 2.96Å; M53-Q56 PolarHBondContact O-N 3.41Å; M53-Y57 WeakPolarHBondContact O-CD2 3.49Å; M53-V68 HydrophobicContact CE-CG1 4.26Å; M53-V68 HydrophobicContact CE-CG2 3.69Å
54A90Very high88.8Confident0 Ų081.2 Ų81.20%041%0.409CS..Hα-helixtrans-63.1-40.4179.900000112.5L40 I44 V50 G51 E52 Q56 Y57 I58 V64L40-A54 HydrophobicContact CD1-CB 3.35Å; L40-A54 HydrophobicContact CG-CB 4.09Å; I44-A54 HydrophobicContact CD1-CB 4.39Å; I44-A54 HydrophobicContact CG1-CB 4.44Å; V50-A54 WeakPolarHBondContact O-CB 3.34Å; V50-A54 PolarHBondContact O-N 3.49Å; G51-A54 PolarHBondContact O-N 3.11Å; E52-A54 PolarHBondContact O-N 3.41Å; A54-Q56 VanDerWaalsContact C-N 3.33Å; A54-Q56 PolarHBondContact O-N 3.25Å; A54-Y57 PolarHBondContact O-N 2.77Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.4Å; A54-V64 HydrophobicContact CB-CG1 4.34Å; A54-V64 HydrophobicContact CB-CG2 4.26Å
55K89.8Confident88.8Confident63 Ų6380.8 Ų80.827%0.27441%0.408SS..Hα-helixtrans-58.4-42.7178-176178.4171.8-172.80111.7I44 G51 E52 M53 Y57 I58 E59I44-K55 HydrophobicContact CG1-CB 4.38Å; I44-K55 HydrophobicContact CG2-CD 4.36Å; G51-K55 VanDerWaalsContact O-CB 3.31Å; G51-K55 WeakPolarHBondContact O-CB 3.28Å; G51-K55 PolarHBondContact O-N 2.82Å; E52-K55 PolarHBondContact O-N 2.65Å; M53-K55 VanDerWaalsContact C-N 3.33Å; M53-K55 PolarHBondContact O-N 2.96Å; K55-Y57 VanDerWaalsContact C-N 3.29Å; K55-Y57 PolarHBondContact O-N 3.19Å; K55-I58 PolarHBondContact O-N 2.91Å; K55-I58 VanDerWaalsContact O-N 3.15Å; K55-E59 WeakPolarHBondContact CE-OE1 3.43Å; K55-E59 HydrophobicContact CG-CG 4.17Å; K55-E59 WeakPolarHBondContact CG-OE1 3.42Å; K55-E59 WeakPolarHBondContact O-CB 3.25Å; K55-E59 WeakPolarHBondContact O-CG 3.29Å; K55-E59 PolarHBondContact O-N 3.22Å
56Q91.4Very high88.8Confident100 Ų10075.8 Ų75.847%0.46739%0.391SS..Hα-helixtrans-59.4-35.7177-69.517422.400113.6E52 M53 A54 R60E52-Q56 WeakPolarHBondContact O-CG 3.41Å; E52-Q56 PolarHBondContact O-N 2.75Å; E52-Q56 VanDerWaalsContact O-N 3.13Å; M53-Q56 PolarHBondContact O-N 3.41Å; A54-Q56 VanDerWaalsContact C-N 3.33Å; A54-Q56 PolarHBondContact O-N 3.25Å; Q56-R60 WeakPolarHBondContact O-CD 3.48Å; Q56-R60 VanDerWaalsContact O-CG 3.26Å; Q56-R60 WeakPolarHBondContact O-CG 3.34Å
57Y89.9Confident88.7Confident77 Ų7778.3 Ų78.330%0.30239%0.391SS..Hα-helixtrans-72-46.4174.4-71.6-78.9000111M53 A54 K55 E59 R60 S61 L62 P65M53-Y57 WeakPolarHBondContact O-CD2 3.49Å; A54-Y57 PolarHBondContact O-N 2.77Å; K55-Y57 VanDerWaalsContact C-N 3.29Å; K55-Y57 PolarHBondContact O-N 3.19Å; Y57-E59 PolarHBondContact O-N 3.46Å; Y57-R60 CarbonylContact O-C 3.55Å; Y57-R60 PolarHBondContact O-N 2.85Å; Y57-S61 PolarHBondContact O-N 3.46Å; Y57-L62 CarbonylContact C-O 3.55Å; Y57-L62 HydrophobicContact CD1-CB 4.03Å; Y57-L62 HydrophobicContact CD1-CD1 4.2Å; Y57-L62 WeakPolarHBondContact O-CA 3.26Å; Y57-L62 WeakPolarHBondContact O-CB 3.36Å; Y57-L62 PolarHBondContact O-N 3.32Å; Y57-P65 HydrophobicContact CD1-CG 4.3Å; Y57-P65 HydrophobicContact CD2-CG 4.45Å; Y57-P65 HydrophobicContact CE1-CG 3.76Å; Y57-P65 HydrophobicContact CE2-CG 3.94Å
58I85.4Confident88.7Confident83 Ų8373.4 Ų73.443%0.42637%0.365SS..Hα-helixtrans-62.4-45.1-177.7-68.2163000111.5L40 I44 A54 K55 R60 S61 V64L40-I58 HydrophobicContact CD2-CD1 4.16Å; I44-I58 HydrophobicContact CD1-CD1 3.56Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.4Å; K55-I58 PolarHBondContact O-N 2.91Å; K55-I58 VanDerWaalsContact O-N 3.15Å; I58-R60 PolarHBondContact O-N 2.87Å; I58-S61 WeakPolarHBondContact O-CA 3.47Å; I58-S61 PolarHBondContact O-N 2.86Å; I58-V64 HydrophobicContact CD1-CG2 4.18Å; I58-V64 HydrophobicContact CG1-CG2 3.94Å
59E85.3Confident88.8Confident132 Ų13272.1 Ų72.162%0.61736%0.356SS*.Hα-helixtrans-62.3-28.4178.7-73.2177.9170.300112.4K55 Y57 S61K55-E59 WeakPolarHBondContact CE-OE1 3.43Å; K55-E59 HydrophobicContact CG-CG 4.17Å; K55-E59 WeakPolarHBondContact CG-OE1 3.42Å; K55-E59 WeakPolarHBondContact O-CB 3.25Å; K55-E59 WeakPolarHBondContact O-CG 3.29Å; K55-E59 PolarHBondContact O-N 3.22Å; Y57-E59 PolarHBondContact O-N 3.46Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 3.3Å
60R87.1Confident89Confident177 Ų17767.3 Ų67.367%0.66834%0.335SS*.THydrogen-bonded Turntrans-87.57.7174.5-64.1176-173-175.13.6113.1Q56 Y57 I58 L62Q56-R60 WeakPolarHBondContact O-CD 3.48Å; Q56-R60 VanDerWaalsContact O-CG 3.26Å; Q56-R60 WeakPolarHBondContact O-CG 3.34Å; Y57-R60 CarbonylContact O-C 3.55Å; Y57-R60 PolarHBondContact O-N 2.85Å; I58-R60 PolarHBondContact O-N 2.87Å; R60-L62 HydrophobicContact CB-CD1 3.94Å; R60-L62 HydrophobicContact CB-CG 3.9Å; R60-L62 PolarHBondContact O-N 3.01Å
61S76.4Confident89Confident118 Ų11872.6 Ų72.683%0.82535%0.353SS*.THydrogen-bonded Turntrans54.630.3-173.2-58.70000113.2Y57 I58 E59Y57-S61 PolarHBondContact O-N 3.46Å; I58-S61 WeakPolarHBondContact O-CA 3.47Å; I58-S61 PolarHBondContact O-N 2.86Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 3.3Å
62L80.4Confident89.2Confident92 Ų9272.8 Ų72.848%0.48235%0.354SS..PPolyproline II helixtrans-96.5148.2175.3-61.6175.6000110.3Y57 R60 V64Y57-L62 CarbonylContact C-O 3.55Å; Y57-L62 HydrophobicContact CD1-CB 4.03Å; Y57-L62 HydrophobicContact CD1-CD1 4.2Å; Y57-L62 WeakPolarHBondContact O-CA 3.26Å; Y57-L62 WeakPolarHBondContact O-CB 3.36Å; Y57-L62 PolarHBondContact O-N 3.32Å; R60-L62 HydrophobicContact CB-CD1 3.94Å; R60-L62 HydrophobicContact CB-CG 3.9Å; R60-L62 PolarHBondContact O-N 3.01Å; L62-V64 PolarHBondContact O-N 3.49Å
63L80.3Confident89.3Confident132 Ų13269.7 Ų69.769%0.69134%0.34SS*.PPolyproline II helixtrans-67.5133.4170.9-69.8174.4000110.1P65L63-P65 WeakPolarHBondContact O-CD 3.49Å
64V89.4Confident89.6Confident26 Ų2668.2 Ų68.216%0.15833%0.332CS..PPolyproline II helixtrans-63.4124.7172.1-178.60000108.5L40 A54 I58 L62 V68 I69L40-V64 HydrophobicContact CD2-CG2 4.18Å; A54-V64 HydrophobicContact CB-CG1 4.34Å; A54-V64 HydrophobicContact CB-CG2 4.26Å; I58-V64 HydrophobicContact CD1-CG2 4.18Å; I58-V64 HydrophobicContact CG1-CG2 3.94Å; L62-V64 PolarHBondContact O-N 3.49Å; V64-V68 HydrophobicContact CG1-CB 3.87Å; V64-V68 HydrophobicContact CG1-CG1 3.89Å; V64-I69 HydrophobicContact CB-CD1 4.24Å; V64-I69 HydrophobicContact CB-CG1 4.45Å; V64-I69 HydrophobicContact CG1-CD1 3.8Å; V64-I69 HydrophobicContact CG1-CG1 4.01Å
65P91.6Very high89.7Confident31 Ų3171.1 Ų71.120%0.20135%0.352CS..PPolyproline II helixtrans-60.4146.3-177.4-25.333.9000113Y57 L63 H67 V68 I69Y57-P65 HydrophobicContact CD1-CG 4.3Å; Y57-P65 HydrophobicContact CD2-CG 4.45Å; Y57-P65 HydrophobicContact CE1-CG 3.76Å; Y57-P65 HydrophobicContact CE2-CG 3.94Å; L63-P65 WeakPolarHBondContact O-CD 3.49Å; P65-H67 WeakPolarHBondContact CB-CE1 3.36Å; P65-H67 WeakPolarHBondContact CB-ND1 3.48Å; P65-H67 PolarHBondContact O-N 3.27Å; P65-H67 VanDerWaalsContact O-N 3.17Å; P65-V68 HydrophobicContact CB-CG2 4.23Å; P65-V68 HydrophobicContact CG-CG2 4.37Å; P65-V68 WeakPolarHBondContact O-CB 3.39Å; P65-V68 PolarHBondContact O-N 2.88Å; P65-I69 PolarHBondContact O-N 2.96Å
66D90.6Very high90Very high82 Ų8269.4 Ų69.444%0.43935%0.345SS..Hα-helixtrans-56.7-36.9-177.1-76-41.9000113.4V68 I69 T70 T93 Q96D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 3.26Å; D66-I69 PolarHBondContact O-N 2.95Å; D66-T70 PolarHBondContact O-N 3.32Å; D66-T70 PolarHBondContact O-OG1 3.1Å; D66-T93 HydrophobicContact CB-CG2 4.5Å; D66-T93 VanDerWaalsContact OD2-CG2 3.22Å; D66-T93 WeakPolarHBondContact OD2-CG2 3.36Å; D66-Q96 PolarHBondContact OD1-NE2 3.45Å; D66-Q96 VanDerWaalsContact OD1-NE2 3.16Å
67H91.9Very high90.2Very high120 Ų12064.6 Ų64.656%0.55632%0.323SS*.Hα-helixtrans-65.1-31.9179.670.7-92.3000112.7P65 T70 R71P65-H67 WeakPolarHBondContact CB-CE1 3.36Å; P65-H67 WeakPolarHBondContact CB-ND1 3.48Å; P65-H67 PolarHBondContact O-N 3.27Å; P65-H67 VanDerWaalsContact O-N 3.17Å; H67-T70 PolarHBondContact O-N 3.42Å; H67-R71 WeakPolarHBondContact O-CB 3.32Å; H67-R71 PolarHBondContact O-N 2.91Å
68V92.9Very high90.4Very high3 Ų365.2 Ų65.22%0.01833%0.329CS..Hα-helixtrans-68.6-45.3175.3-178.50000109.4V50 M53 V64 P65 D66 T70 R71 L72V50-V68 HydrophobicContact CG1-CG1 4.1Å; M53-V68 HydrophobicContact CE-CG1 4.26Å; M53-V68 HydrophobicContact CE-CG2 3.69Å; V64-V68 HydrophobicContact CG1-CB 3.87Å; V64-V68 HydrophobicContact CG1-CG1 3.89Å; P65-V68 HydrophobicContact CB-CG2 4.23Å; P65-V68 HydrophobicContact CG-CG2 4.37Å; P65-V68 WeakPolarHBondContact O-CB 3.39Å; P65-V68 PolarHBondContact O-N 2.88Å; D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 3.26Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.16Å; V68-R71 PolarHBondContact O-N 3.11Å; V68-L72 WeakPolarHBondContact O-CB 3.26Å; V68-L72 PolarHBondContact O-N 2.71Å
69I94.3Very high90.7Very high18 Ų1867 Ų679%0.09234%0.339CS..Hα-helixtrans-62.7-40.6175.4-60.3-61.9000111.2L40 V64 P65 D66 L72 M73 F90L40-I69 HydrophobicContact CD1-CD1 4.07Å; L40-I69 HydrophobicContact CD2-CD1 4.24Å; V64-I69 HydrophobicContact CB-CD1 4.24Å; V64-I69 HydrophobicContact CB-CG1 4.45Å; V64-I69 HydrophobicContact CG1-CD1 3.8Å; V64-I69 HydrophobicContact CG1-CG1 4.01Å; P65-I69 PolarHBondContact O-N 2.96Å; D66-I69 PolarHBondContact O-N 2.95Å; I69-L72 PolarHBondContact O-N 2.89Å; I69-M73 HydrophobicContact CG2-CG 4.31Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 VanDerWaalsContact O-CG 3.28Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 3.39Å; I69-F90 HydrophobicContact CG2-CD2 4.26Å; I69-F90 HydrophobicContact CG2-CE2 4.38Å
70T95.5Very high91.2Very high25 Ų2562.7 Ų62.715%0.15332%0.317CS..Hα-helixtrans-61.2-50.6175.1-54.90000111D66 H67 V68 L72 M73 M74 Q96 A99D66-T70 PolarHBondContact O-N 3.32Å; D66-T70 PolarHBondContact O-OG1 3.1Å; H67-T70 PolarHBondContact O-N 3.42Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.16Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 3.07Å; T70-M73 PolarHBondContact O-N 3.23Å; T70-M74 HydrophobicContact CG2-CG 4.08Å; T70-M74 VanDerWaalsContact O-CG 3.27Å; T70-M74 WeakPolarHBondContact O-CG 3.36Å; T70-M74 PolarHBondContact O-N 3.32Å; T70-Q96 WeakPolarHBondContact OG1-CG 3.47Å; T70-A99 HydrophobicContact CG2-CB 3.65Å
71R93.3Very high91.5Very high128 Ų12860.4 Ų60.448%0.48331%0.309SS..Hα-helixtrans-57.3-45.4179.3-175.8179.1178.8-159.4-3.8111.2E49 H67 V68 S75E49-R71 IonicContact OE1-CZ 3.43Å; E49-R71 IonicContact OE1-NH1 3.05Å; E49-R71 PolarHBondContact OE1-NH1 2.96Å; E49-R71 IonicContact OE1-NH2 3.96Å; E49-R71 PolarHBondContact OE1-NH2 3.08Å; E49-R71 IonicContact OE2-NH2 3.31Å; H67-R71 WeakPolarHBondContact O-CB 3.32Å; H67-R71 PolarHBondContact O-N 2.91Å; V68-R71 PolarHBondContact O-N 3.11Å; R71-S75 WeakPolarHBondContact O-CB 3.2Å; R71-S75 PolarHBondContact O-N 2.94Å
72L94.6Very high92.3Very high4 Ų458 Ų582%0.02130%0.302CS..Hα-helixtrans-57.6-54.9175.817862.3000111.3F39 L40 N43 V50 V68 I69 T70 M74 S75 E76F39-L72 HydrophobicContact CB-CD1 4.25Å; F39-L72 HydrophobicContact CB-CD2 4Å; F39-L72 HydrophobicContact CB-CG 4.15Å; L40-L72 HydrophobicContact CB-CD2 4.07Å; L40-L72 HydrophobicContact CD1-CD2 3.83Å; N43-L72 HydrophobicContact CB-CD1 4.38Å; N43-L72 WeakPolarHBondContact ND2-CD1 3.44Å; V50-L72 HydrophobicContact CG1-CB 3.98Å; V50-L72 HydrophobicContact CG1-CD1 4.1Å; V50-L72 HydrophobicContact CG1-CG 4.48Å; V68-L72 WeakPolarHBondContact O-CB 3.26Å; V68-L72 PolarHBondContact O-N 2.71Å; I69-L72 PolarHBondContact O-N 2.89Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 3.07Å; L72-M74 PolarHBondContact O-N 3.11Å; L72-S75 PolarHBondContact O-N 3.16Å; L72-E76 HydrophobicContact CD1-CG 4.37Å; L72-E76 WeakPolarHBondContact O-CG 3.22Å; L72-E76 PolarHBondContact O-N 3.16Å; L72-E76 VanDerWaalsContact O-N 3.12Å
73M95.9Very high93Very high0 Ų057.7 Ų57.70%030%0.298CS..Hα-helixtrans-63.7-42.1-176.2-73-63.9-55.200112.3S36 F39 I69 T70 S75 E76 L77 L87 F90S36-M73 VanDerWaalsContact CA-SD 3.5Å; F39-M73 HydrophobicContact CD2-CE 4.42Å; F39-M73 HydrophobicContact CD2-SD 3.69Å; F39-M73 HydrophobicContact CE2-CE 4.3Å; F39-M73 HydrophobicContact CE2-SD 4.16Å; I69-M73 HydrophobicContact CG2-CG 4.31Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 VanDerWaalsContact O-CG 3.28Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 3.39Å; T70-M73 PolarHBondContact O-N 3.23Å; M73-S75 PolarHBondContact O-N 3.34Å; M73-E76 PolarHBondContact O-N 3.22Å; M73-L77 HydrophobicContact CE-CD1 4.39Å; M73-L77 WeakPolarHBondContact O-CB 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.48Å; M73-L77 PolarHBondContact O-N 2.96Å; M73-L87 HydrophobicContact CE-CD2 4.39Å; M73-F90 HydrophobicContact CB-CD1 4.32Å; M73-F90 HydrophobicContact CB-CD2 4.14Å; M73-F90 HydrophobicContact CB-CE1 4.03Å; M73-F90 HydrophobicContact CB-CE2 3.8Å; M73-F90 HydrophobicContact CB-CG 4.38Å; M73-F90 HydrophobicContact CB-CZ 3.77Å; M73-F90 HydrophobicContact CE-CB 4.05Å; M73-F90 HydrophobicContact CE-CD1 3.99Å; M73-F90 HydrophobicContact CE-CG 3.96Å; M73-F90 HydrophobicContact CG-CD1 4.33Å; M73-F90 HydrophobicContact CG-CD2 3.61Å; M73-F90 HydrophobicContact CG-CE1 4.46Å; M73-F90 HydrophobicContact CG-CE2 3.73Å; M73-F90 HydrophobicContact CG-CG 3.92Å; M73-F90 HydrophobicContact CG-CZ 4.18Å; M73-F90 HydrophobicContact SD-CG 4.5Å
74M95.3Very high93.7Very high22 Ų2254.1 Ų54.111%0.10828%0.278CS..Hα-helixtrans-62.3-45.1179.6-65.8-57.194.500111.5T70 L72 E76 L77 E78 F90 A99 L100 I103T70-M74 HydrophobicContact CG2-CG 4.08Å; T70-M74 VanDerWaalsContact O-CG 3.27Å; T70-M74 WeakPolarHBondContact O-CG 3.36Å; T70-M74 PolarHBondContact O-N 3.32Å; L72-M74 PolarHBondContact O-N 3.11Å; M74-E76 PolarHBondContact O-N 3.22Å; M74-L77 HydrophobicContact CE-CD1 3.98Å; M74-L77 PolarHBondContact O-N 2.94Å; M74-E78 WeakPolarHBondContact O-CB 3.39Å; M74-E78 VanDerWaalsContact O-CG 3.25Å; M74-E78 WeakPolarHBondContact O-CG 3.47Å; M74-E78 PolarHBondContact O-N 3.37Å; M74-F90 HydrophobicContact CE-CE1 3.53Å; M74-F90 HydrophobicContact CE-CZ 3.62Å; M74-A99 HydrophobicContact SD-CB 4.24Å; M74-L100 HydrophobicContact CE-CB 4.43Å; M74-L100 HydrophobicContact CE-CD1 4.2Å; M74-I103 HydrophobicContact CE-CD1 4.13Å; M74-I103 HydrophobicContact SD-CD1 3.69Å; M74-I103 HydrophobicContact SD-CG1 4.18Å
75S93.3Very high94.1Very high60 Ų6053 Ų5342%0.4227%0.271SS..Hα-helixtrans-58.5-47176.3179.70000112.1R71 L72 M73 L77 E78 N79R71-S75 WeakPolarHBondContact O-CB 3.2Å; R71-S75 PolarHBondContact O-N 2.94Å; L72-S75 PolarHBondContact O-N 3.16Å; M73-S75 PolarHBondContact O-N 3.34Å; S75-L77 PolarHBondContact O-N 3.3Å; S75-E78 PolarHBondContact O-N 3.43Å; S75-N79 PolarHBondContact O-N 3.27Å; S75-N79 PolarHBondContact O-ND2 3.16Å
76E94.9Very high94.4Very high27 Ų2751.5 Ų51.513%0.12626%0.261CS..Hα-helixtrans-64.9-39.2178.9-66.4-68169.700112.3F39 N43 L72 M73 M74 R80F39-E76 HydrophobicContact CB-CG 4.2Å; F39-E76 HydrophobicContact CD1-CG 4.05Å; F39-E76 HydrophobicContact CD2-CB 4.06Å; F39-E76 HydrophobicContact CD2-CG 3.88Å; F39-E76 HydrophobicContact CE1-CG 4.37Å; F39-E76 HydrophobicContact CE2-CB 3.9Å; F39-E76 HydrophobicContact CE2-CG 4.19Å; F39-E76 HydrophobicContact CG-CB 4.42Å; F39-E76 HydrophobicContact CG-CG 3.8Å; F39-E76 HydrophobicContact CZ-CB 4.16Å; F39-E76 HydrophobicContact CZ-CG 4.43Å; N43-E76 PolarHBondContact ND2-OE1 3.48Å; L72-E76 HydrophobicContact CD1-CG 4.37Å; L72-E76 WeakPolarHBondContact O-CG 3.22Å; L72-E76 PolarHBondContact O-N 3.16Å; L72-E76 VanDerWaalsContact O-N 3.12Å; M73-E76 PolarHBondContact O-N 3.22Å; M74-E76 PolarHBondContact O-N 3.22Å; E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-NH1 2.82Å; E76-R80 IonicContact OE2-CZ 2.96Å; E76-R80 VanDerWaalsContact OE2-CZ 3.31Å; E76-R80 IonicContact OE2-NH1 3.9Å; E76-R80 PolarHBondContact OE2-NH1 3.03Å; E76-R80 IonicContact OE2-NH2 2.75Å; E76-R80 PolarHBondContact OE2-NH2 3.13Å
77L95.5Very high94.7Very high0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-72.7-34.7179.7-66.9177.5000112.5L34 M73 M74 S75 N79 R80 R81 W85 L87 L100 I103L34-L77 HydrophobicContact CD1-CD2 3.69Å; M73-L77 HydrophobicContact CE-CD1 4.39Å; M73-L77 WeakPolarHBondContact O-CB 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.48Å; M73-L77 PolarHBondContact O-N 2.96Å; M74-L77 HydrophobicContact CE-CD1 3.98Å; M74-L77 PolarHBondContact O-N 2.94Å; S75-L77 PolarHBondContact O-N 3.3Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 3.06Å; L77-R80 CarbonylContact O-C 3.5Å; L77-R80 WeakPolarHBondContact O-CA 3.36Å; L77-R80 PolarHBondContact O-N 3.33Å; L77-R81 PolarHBondContact O-N 3.21Å; L77-W85 HydrophobicContact CB-CH2 3.83Å; L77-W85 HydrophobicContact CB-CZ2 4.01Å; L77-W85 HydrophobicContact CB-CZ3 4.13Å; L77-W85 HydrophobicContact CD1-CE3 4.33Å; L77-W85 HydrophobicContact CD1-CZ3 4.16Å; L77-W85 HydrophobicContact CD2-CD2 3.87Å; L77-W85 HydrophobicContact CD2-CE3 3.98Å; L77-W85 HydrophobicContact CD2-CG 4.27Å; L77-W85 HydrophobicContact CD2-CZ2 4.46Å; L77-W85 HydrophobicContact CD2-CZ3 4.34Å; L77-W85 HydrophobicContact CG-CZ3 4.43Å; L77-W85 WeakPolarHBondContact O-CZ2 3.47Å; L77-L87 HydrophobicContact CD1-CD1 4.23Å; L77-L87 HydrophobicContact CD1-CD2 4.26Å; L77-L87 HydrophobicContact CD2-CD2 3.6Å; L77-L100 HydrophobicContact CD1-CD1 3.68Å; L77-I103 HydrophobicContact CB-CD1 3.75Å; L77-I103 HydrophobicContact CD1-CD1 4.09Å
78E93.7Very high94.9Very high89 Ų8942.8 Ų42.842%0.41622%0.219SC..Hα-helixtrans-60.9-40.5175.5-78.1162.4171.400112.2M74 S75 R80 R81M74-E78 WeakPolarHBondContact O-CB 3.39Å; M74-E78 VanDerWaalsContact O-CG 3.25Å; M74-E78 WeakPolarHBondContact O-CG 3.47Å; M74-E78 PolarHBondContact O-N 3.37Å; S75-E78 PolarHBondContact O-N 3.43Å; E78-R80 PolarHBondContact O-N 2.84Å; E78-R80 VanDerWaalsContact O-N 3.17Å; E78-R81 WeakPolarHBondContact O-CG 3.45Å; E78-R81 IonicContact OE1-NH2 3.93Å
79N93.4Very high94.7Very high122 Ų12242.9 Ų42.965%0.65222%0.221SC*.THydrogen-bonded Turntrans-68.1-10.7174.2-67.3-34000113.6S75 L77S75-N79 PolarHBondContact O-N 3.27Å; S75-N79 PolarHBondContact O-ND2 3.16Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 3.06Å
80R95.4Very high94.8Very high40 Ų4042.1 Ų42.115%0.15122%0.217CC..THydrogen-bonded Turntrans-120.917.5-175.1-66.3175.3-176.774.8-8.5113.4E76 L77 E78 G82 Q83 W85E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-NH1 2.82Å; E76-R80 IonicContact OE2-CZ 2.96Å; E76-R80 VanDerWaalsContact OE2-CZ 3.31Å; E76-R80 IonicContact OE2-NH1 3.9Å; E76-R80 PolarHBondContact OE2-NH1 3.03Å; E76-R80 IonicContact OE2-NH2 2.75Å; E76-R80 PolarHBondContact OE2-NH2 3.13Å; L77-R80 CarbonylContact O-C 3.5Å; L77-R80 WeakPolarHBondContact O-CA 3.36Å; L77-R80 PolarHBondContact O-N 3.33Å; E78-R80 PolarHBondContact O-N 2.84Å; E78-R80 VanDerWaalsContact O-N 3.17Å; R80-G82 PolarHBondContact O-N 2.92Å; R80-Q83 PolarHBondContact O-N 2.86Å; R80-W85 PolarHBondContact O-NE1 3.22Å
81R93.1Very high94.9Very high129 Ų12941 Ų4149%0.48721%0.21SC..THydrogen-bonded Turntrans-53.5-31.1-178.8-75.2-179.1-178-145.73.2114.4L5 R7 L77 E78 Q83 W85L5-R81 VanDerWaalsContact CD1-O 3.29Å; L5-R81 WeakPolarHBondContact CD1-O 3.46Å; R7-R81 PolarHBondContact NH2-O 3.43Å; L77-R81 PolarHBondContact O-N 3.21Å; E78-R81 WeakPolarHBondContact O-CG 3.45Å; E78-R81 IonicContact OE1-NH2 3.93Å; R81-Q83 VanDerWaalsContact C-N 3.28Å; R81-Q83 PolarHBondContact O-N 3.12Å; R81-W85 HydrophobicContact CG-CZ2 4.26Å
82G93.4Very high94.9Very high67 Ų6741 Ų4169%0.69121%0.21SC*.THydrogen-bonded Turntrans-79.12.817800000115.8L5 R80L5-G82 VanDerWaalsContact CD1-C 3.44Å; R80-G82 PolarHBondContact O-N 2.92Å
83Q94.6Very high95Very high86 Ų8641.8 Ų41.840%0.40222%0.215SC..SBendtrans-117162-174.3-57.7174.41000111.5R7 R80 R81R7-Q83 PolarHBondContact NH1-O 3.01Å; R80-Q83 PolarHBondContact O-N 2.86Å; R81-Q83 VanDerWaalsContact C-N 3.28Å; R81-Q83 PolarHBondContact O-N 3.12Å
84H96.2Very high95Very high57 Ų5745 Ų4526%0.26423%0.232SC..  trans-69.3142.9164.6-65.1-56000110.6L6 L31L6-H84 HydrophobicContact CB-CB 4.45Å; L6-H84 PolarHBondContact N-ND1 2.91Å; L6-H84 WeakPolarHBondContact O-CA 3.5Å; L31-H84 HydrophobicContact CD2-CB 3.42Å; L31-H84 VanDerWaalsContact CD2-CB 3.42Å
85W96.8Very high95.1Very high2 Ų245.9 Ų45.91%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-114132.3-179.9-61.4-12.2000111.3L6 A8 L34 L77 R80 R81 L87 L100 I103 C104L6-W85 PolarHBondContact O-N 3.4Å; A8-W85 PolarHBondContact N-O 2.82Å; L34-W85 HydrophobicContact CD1-CB 4.11Å; L34-W85 HydrophobicContact CD1-CG 4.1Å; L77-W85 HydrophobicContact CB-CH2 3.83Å; L77-W85 HydrophobicContact CB-CZ2 4.01Å; L77-W85 HydrophobicContact CB-CZ3 4.13Å; L77-W85 HydrophobicContact CD1-CE3 4.33Å; L77-W85 HydrophobicContact CD1-CZ3 4.16Å; L77-W85 HydrophobicContact CD2-CD2 3.87Å; L77-W85 HydrophobicContact CD2-CE3 3.98Å; L77-W85 HydrophobicContact CD2-CG 4.27Å; L77-W85 HydrophobicContact CD2-CZ2 4.46Å; L77-W85 HydrophobicContact CD2-CZ3 4.34Å; L77-W85 HydrophobicContact CG-CZ3 4.43Å; L77-W85 WeakPolarHBondContact O-CZ2 3.47Å; R80-W85 PolarHBondContact O-NE1 3.22Å; R81-W85 HydrophobicContact CG-CZ2 4.26Å; W85-L87 HydrophobicContact CB-CD2 4.18Å; W85-L87 HydrophobicContact CB-CG 4.49Å; W85-L100 HydrophobicContact CZ3-CD1 4.28Å; W85-I103 HydrophobicContact CH2-CD1 3.97Å; W85-I103 HydrophobicContact CH2-CG1 4.38Å; W85-I103 HydrophobicContact CZ3-CD1 4.13Å; W85-I103 HydrophobicContact CZ3-CG1 4.39Å; W85-C104 HydrophobicContact CE3-CB 4.39Å; W85-C104 HydrophobicContact CH2-CB 4.23Å; W85-C104 HydrophobicContact CZ3-CB 3.67Å; W85-C104 VanDerWaalsContact CZ3-SG 3.54Å
86L97.6Very high95.3Very high0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-122.497167.3177.165.1000108.5A8 I10 C22 I25 L31 L34 F210A8-L86 HydrophobicContact CB-CD1 4.31Å; I10-L86 HydrophobicContact CD1-CD1 4.16Å; I10-L86 HydrophobicContact CG1-CD1 3.73Å; C22-L86 HydrophobicContact CB-CD2 4.1Å; I25-L86 HydrophobicContact CB-CD2 3.81Å; I25-L86 HydrophobicContact CD1-CD1 3.96Å; I25-L86 HydrophobicContact CD1-CD2 4.28Å; I25-L86 HydrophobicContact CG2-CD1 4.38Å; I25-L86 HydrophobicContact CG2-CD2 3.7Å; L31-L86 HydrophobicContact CB-CB 4.42Å; L31-L86 HydrophobicContact CD1-CB 4.24Å; L34-L86 PolarHBondContact N-O 2.97Å; L86-F210 HydrophobicContact CD1-CE1 4.26Å; L86-F210 HydrophobicContact CD1-CZ 3.77Å
87L97.6Very high95.4Very high3 Ų341.8 Ų41.82%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-89.2120.6-177.3-49.5-174.7000110.4A8 V9 I10 L34 M73 L77 W85 F90 L100A8-L87 PolarHBondContact O-N 3.16Å; V9-L87 WeakPolarHBondContact CA-O 3.39Å; V9-L87 HydrophobicContact CG2-CB 4.2Å; V9-L87 HydrophobicContact CG2-CD1 4.1Å; V9-L87 HydrophobicContact CG2-CG 4.41Å; I10-L87 PolarHBondContact N-O 3.06Å; L34-L87 HydrophobicContact CB-CD2 3.91Å; L34-L87 HydrophobicContact CD1-CD2 3.82Å; L34-L87 HydrophobicContact CG-CD2 4.43Å; L34-L87 WeakPolarHBondContact O-CA 3.13Å; M73-L87 HydrophobicContact CE-CD2 4.39Å; L77-L87 HydrophobicContact CD1-CD1 4.23Å; L77-L87 HydrophobicContact CD1-CD2 4.26Å; L77-L87 HydrophobicContact CD2-CD2 3.6Å; W85-L87 HydrophobicContact CB-CD2 4.18Å; W85-L87 HydrophobicContact CB-CG 4.49Å; L87-F90 WeakPolarHBondContact CB-O 3.44Å; L87-F90 HydrophobicContact CD1-CD1 4.35Å; L87-L100 HydrophobicContact CD1-CD1 4.01Å; L87-L100 HydrophobicContact CD1-CD2 3.66Å
88D95.5Very high95.4Very high16 Ų1646.9 Ų46.99%0.08624%0.244CC..EExtended strand (participates in β ladder)trans-99.3109.2176.3176.95.9000111.1K18 H33 L34 F90K18-D88 VanDerWaalsContact CD-OD1 3.29Å; K18-D88 WeakPolarHBondContact CD-OD1 3.17Å; K18-D88 VanDerWaalsContact CE-OD1 3.24Å; K18-D88 WeakPolarHBondContact CE-OD1 3.42Å; K18-D88 WeakPolarHBondContact CG-OD1 3.25Å; H33-D88 IonicContact CE1-OD2 3.64Å; H33-D88 PolarHBondContact CE1-OD2 3.17Å; H33-D88 WeakPolarHBondContact NE2-CB 3.34Å; H33-D88 IonicContact NE2-OD2 3.29Å; H33-D88 PolarHBondContact NE2-OD2 3.42Å; L34-D88 PolarHBondContact O-N 2.97Å; D88-F90 PolarHBondContact O-N 3.29Å
89G89.1Confident95.6Very high6 Ų643.4 Ų43.46%0.06223%0.231CC..SBendtrans65.925.5174.400000113.9I10 R92I10-G89 PolarHBondContact O-N 3.19Å; G89-R92 WeakPolarHBondContact O-CG 3.41Å; G89-R92 PolarHBondContact O-NE 3.34Å; G89-R92 VanDerWaalsContact O-NE 3.08Å
90F96.1Very high95.8Very high1 Ų137.6 Ų37.60%0.00420%0.2CC..  trans-134.2130.9164.8-176.4-87000108.4V9 I69 M73 M74 L87 D88 Q96 L100V9-F90 WeakPolarHBondContact CG1-O 3.47Å; I69-F90 HydrophobicContact CG2-CD2 4.26Å; I69-F90 HydrophobicContact CG2-CE2 4.38Å; M73-F90 HydrophobicContact CB-CD1 4.32Å; M73-F90 HydrophobicContact CB-CD2 4.14Å; M73-F90 HydrophobicContact CB-CE1 4.03Å; M73-F90 HydrophobicContact CB-CE2 3.8Å; M73-F90 HydrophobicContact CB-CG 4.38Å; M73-F90 HydrophobicContact CB-CZ 3.77Å; M73-F90 HydrophobicContact CE-CB 4.05Å; M73-F90 HydrophobicContact CE-CD1 3.99Å; M73-F90 HydrophobicContact CE-CG 3.96Å; M73-F90 HydrophobicContact CG-CD1 4.33Å; M73-F90 HydrophobicContact CG-CD2 3.61Å; M73-F90 HydrophobicContact CG-CE1 4.46Å; M73-F90 HydrophobicContact CG-CE2 3.73Å; M73-F90 HydrophobicContact CG-CG 3.92Å; M73-F90 HydrophobicContact CG-CZ 4.18Å; M73-F90 HydrophobicContact SD-CG 4.5Å; M74-F90 HydrophobicContact CE-CE1 3.53Å; M74-F90 HydrophobicContact CE-CZ 3.62Å; L87-F90 WeakPolarHBondContact CB-O 3.44Å; L87-F90 HydrophobicContact CD1-CD1 4.35Å; D88-F90 PolarHBondContact O-N 3.29Å; F90-Q96 HydrophobicContact CD2-CG 4.41Å; F90-Q96 HydrophobicContact CE2-CB 3.82Å; F90-Q96 HydrophobicContact CE2-CG 3.61Å; F90-Q96 HydrophobicContact CZ-CB 3.9Å; F90-Q96 HydrophobicContact CZ-CG 4.08Å; F90-L100 HydrophobicContact CE1-CB 4.34Å
91P97Very high95.8Very high1 Ų137.9 Ų37.91%0.00620%0.204CC..  cis-76150.51.732.3-36.5000113.2L11 Q96 A97 L100 V181 Y185L11-P91 VanDerWaalsContact CD2-O 3.31Å; L11-P91 WeakPolarHBondContact CD2-O 3.24Å; P91-Q96 HydrophobicContact CB-CB 3.5Å; P91-A97 HydrophobicContact CB-CB 3.96Å; P91-A97 VanDerWaalsContact CB-N 3.33Å; P91-A97 HydrophobicContact CG-CB 3.7Å; P91-L100 HydrophobicContact CG-CD2 4.44Å; P91-V181 HydrophobicContact CG-CG1 4.05Å; P91-Y185 HydrophobicContact CG-CE2 3.92Å; P91-Y185 WeakPolarHBondContact CG-OH 3.35Å
92R94.5Very high96Very high128 Ų12840 Ų4048%0.48322%0.217SC..  trans-98.9-37.3171.1-61.5-171.9177.6176.70.3112.2G89 V177 V181G89-R92 WeakPolarHBondContact O-CG 3.41Å; G89-R92 PolarHBondContact O-NE 3.34Å; G89-R92 VanDerWaalsContact O-NE 3.08Å; R92-V177 WeakPolarHBondContact O-CG1 3.48Å; R92-V181 WeakPolarHBondContact O-CG2 3.48Å
93T95.6Very high96.1Very high22 Ų2238.3 Ų38.314%0.13519%0.192CC..SBendtrans-110.9161.6-177.372.30000111.3D66 G95 Q96 A97 V177 V181D66-T93 HydrophobicContact CB-CG2 4.5Å; D66-T93 VanDerWaalsContact OD2-CG2 3.22Å; D66-T93 WeakPolarHBondContact OD2-CG2 3.36Å; T93-G95 VanDerWaalsContact C-N 3.32Å; T93-G95 PolarHBondContact O-N 3.04Å; T93-Q96 WeakPolarHBondContact O-CB 3.32Å; T93-Q96 PolarHBondContact O-N 3.17Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.08Å; T93-Q96 PolarHBondContact OG1-N 3.05Å; T93-A97 PolarHBondContact O-N 2.94Å; T93-A97 VanDerWaalsContact O-N 3.08Å; T93-V177 HydrophobicContact CG2-CG1 3.63Å; T93-V181 WeakPolarHBondContact O-CG2 3.42Å
94L95.9Very high96.1Very high67 Ų6735 Ų3535%0.35118%0.178SC..Hα-helixtrans-59.8-43.5176.8-173.361.9000111.7Q96 A97 E98 P180 L184L94-Q96 VanDerWaalsContact C-N 3.26Å; L94-Q96 PolarHBondContact O-N 3.2Å; L94-A97 WeakPolarHBondContact O-CA 3.17Å; L94-A97 WeakPolarHBondContact O-CB 3.48Å; L94-A97 PolarHBondContact O-N 3.35Å; L94-E98 WeakPolarHBondContact O-CG 3.38Å; L94-E98 PolarHBondContact O-N 2.94Å; L94-P180 HydrophobicContact CB-CB 4.34Å; L94-L184 HydrophobicContact CD1-CB 4.39Å; L94-L184 HydrophobicContact CD1-CD2 3.88Å
95G96.9Very high96.1Very high40 Ų4038.8 Ų38.841%0.41220%0.196SC..Hα-helixtrans-62.8-30.617700000113.6T93 A99T93-G95 VanDerWaalsContact C-N 3.32Å; T93-G95 PolarHBondContact O-N 3.04Å; G95-A99 WeakPolarHBondContact O-CB 3.41Å; G95-A99 PolarHBondContact O-N 3.15Å
96Q97.8Very high96.1Very high1 Ų139.1 Ų39.11%0.00520%0.198CC..Hα-helixtrans-69.5-38.6171.1-76.8168.85.200111.9D66 T70 F90 P91 T93 L94 A99 L100D66-Q96 PolarHBondContact OD1-NE2 3.45Å; D66-Q96 VanDerWaalsContact OD1-NE2 3.16Å; T70-Q96 WeakPolarHBondContact OG1-CG 3.47Å; F90-Q96 HydrophobicContact CD2-CG 4.41Å; F90-Q96 HydrophobicContact CE2-CB 3.82Å; F90-Q96 HydrophobicContact CE2-CG 3.61Å; F90-Q96 HydrophobicContact CZ-CB 3.9Å; F90-Q96 HydrophobicContact CZ-CG 4.08Å; P91-Q96 HydrophobicContact CB-CB 3.5Å; T93-Q96 WeakPolarHBondContact O-CB 3.32Å; T93-Q96 PolarHBondContact O-N 3.17Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.08Å; T93-Q96 PolarHBondContact OG1-N 3.05Å; L94-Q96 VanDerWaalsContact C-N 3.26Å; L94-Q96 PolarHBondContact O-N 3.2Å; Q96-A99 PolarHBondContact O-N 3.12Å; Q96-L100 WeakPolarHBondContact O-CB 3.45Å; Q96-L100 PolarHBondContact O-N 3.11Å
97A97.8Very high96Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-66-45.3176.500000111.1P91 T93 L94 A99 L100 D101 V181 L184P91-A97 HydrophobicContact CB-CB 3.96Å; P91-A97 VanDerWaalsContact CB-N 3.33Å; P91-A97 HydrophobicContact CG-CB 3.7Å; T93-A97 PolarHBondContact O-N 2.94Å; T93-A97 VanDerWaalsContact O-N 3.08Å; L94-A97 WeakPolarHBondContact O-CA 3.17Å; L94-A97 WeakPolarHBondContact O-CB 3.48Å; L94-A97 PolarHBondContact O-N 3.35Å; A97-A99 VanDerWaalsContact C-N 3.29Å; A97-A99 PolarHBondContact O-N 2.8Å; A97-L100 WeakPolarHBondContact O-CB 3.17Å; A97-L100 PolarHBondContact O-N 3.39Å; A97-L100 VanDerWaalsContact O-N 3.16Å; A97-D101 PolarHBondContact O-N 3.44Å; A97-V181 HydrophobicContact CB-CG1 4.5Å; A97-L184 HydrophobicContact CB-CD2 3.79Å
98E96.4Very high96Very high107 Ų10740.2 Ų40.250%0.520%0.204SC..Hα-helixtrans-61.6-35.2174.4-68.9173172.100112.6L94L94-E98 WeakPolarHBondContact O-CG 3.38Å; L94-E98 PolarHBondContact O-N 2.94Å
99A97.4Very high96.1Very high16 Ų1639.5 Ų39.513%0.13220%0.2CC..Hα-helixtrans-67.7-44173.600000111.7T70 M74 G95 Q96 A97 D101 K102T70-A99 HydrophobicContact CG2-CB 3.65Å; M74-A99 HydrophobicContact SD-CB 4.24Å; G95-A99 WeakPolarHBondContact O-CB 3.41Å; G95-A99 PolarHBondContact O-N 3.15Å; Q96-A99 PolarHBondContact O-N 3.12Å; A97-A99 VanDerWaalsContact C-N 3.29Å; A97-A99 PolarHBondContact O-N 2.8Å; A99-D101 VanDerWaalsContact C-N 3.3Å; A99-D101 PolarHBondContact O-N 2.83Å; A99-K102 WeakPolarHBondContact O-CB 3.47Å; A99-K102 PolarHBondContact O-N 2.72Å
100L97.6Very high96.5Very high0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-61.8-39.1177.9-177.761.5000111.9V9 M74 L77 W85 L87 F90 P91 Q96 A97 K102 I103 C104 V106V9-L100 HydrophobicContact CG2-CD2 4.46Å; M74-L100 HydrophobicContact CE-CB 4.43Å; M74-L100 HydrophobicContact CE-CD1 4.2Å; L77-L100 HydrophobicContact CD1-CD1 3.68Å; W85-L100 HydrophobicContact CZ3-CD1 4.28Å; L87-L100 HydrophobicContact CD1-CD1 4.01Å; L87-L100 HydrophobicContact CD1-CD2 3.66Å; F90-L100 HydrophobicContact CE1-CB 4.34Å; P91-L100 HydrophobicContact CG-CD2 4.44Å; Q96-L100 WeakPolarHBondContact O-CB 3.45Å; Q96-L100 PolarHBondContact O-N 3.11Å; A97-L100 WeakPolarHBondContact O-CB 3.17Å; A97-L100 PolarHBondContact O-N 3.39Å; A97-L100 VanDerWaalsContact O-N 3.16Å; L100-K102 PolarHBondContact O-N 3.39Å; L100-K102 VanDerWaalsContact O-N 3.13Å; L100-I103 HydrophobicContact CD1-CD1 4.22Å; L100-I103 HydrophobicContact CD1-CG1 4.18Å; L100-I103 VanDerWaalsContact O-CG1 3.24Å; L100-I103 WeakPolarHBondContact O-CG1 3.42Å; L100-I103 PolarHBondContact O-N 2.97Å; L100-C104 PolarHBondContact O-N 3.47Å; L100-C104 VanDerWaalsContact O-N 3.12Å; L100-V106 HydrophobicContact CD2-CG2 3.81Å; L100-V106 HydrophobicContact CG-CG2 4.23Å
101D95.9Very high96.5Very high46 Ų4639.3 Ų39.325%0.24620%0.198CC..THydrogen-bonded Turntrans-61.7-20.6178.8-69.9-26.7000113.7A97 A99 I103 C104 R188A97-D101 PolarHBondContact O-N 3.44Å; A99-D101 VanDerWaalsContact C-N 3.3Å; A99-D101 PolarHBondContact O-N 2.83Å; D101-I103 VanDerWaalsContact C-N 3.29Å; D101-C104 WeakPolarHBondContact CA-O 3.27Å; D101-R188 IonicContact OD1-CZ 2.94Å; D101-R188 IonicContact OD1-NH1 2.65Å; D101-R188 PolarHBondContact OD1-NH1 2.87Å; D101-R188 IonicContact OD1-NH2 3.24Å; D101-R188 IonicContact OD2-CZ 2.74Å; D101-R188 VanDerWaalsContact OD2-CZ 3.24Å; D101-R188 IonicContact OD2-NH1 3.77Å; D101-R188 PolarHBondContact OD2-NH1 2.9Å; D101-R188 IonicContact OD2-NH2 3.9Å; D101-R188 PolarHBondContact OD2-NH2 3.37Å
102K96.3Very high96.4Very high175 Ų17539.2 Ų39.276%0.76120%0.197SC*.THydrogen-bonded Turntrans-74-21.4176.3-64.6171.6-175.2176.90112.8A99 L100A99-K102 WeakPolarHBondContact O-CB 3.47Å; A99-K102 PolarHBondContact O-N 2.72Å; L100-K102 PolarHBondContact O-N 3.39Å; L100-K102 VanDerWaalsContact O-N 3.13Å
103I95.5Very high96.3Very high30 Ų3036.9 Ų36.915%0.15419%0.194CC..THydrogen-bonded Turntrans-115.7-17.2-173.765.7165.7000113.4M74 L77 W85 L100 D101M74-I103 HydrophobicContact CE-CD1 4.13Å; M74-I103 HydrophobicContact SD-CD1 3.69Å; M74-I103 HydrophobicContact SD-CG1 4.18Å; L77-I103 HydrophobicContact CB-CD1 3.75Å; L77-I103 HydrophobicContact CD1-CD1 4.09Å; W85-I103 HydrophobicContact CH2-CD1 3.97Å; W85-I103 HydrophobicContact CH2-CG1 4.38Å; W85-I103 HydrophobicContact CZ3-CD1 4.13Å; W85-I103 HydrophobicContact CZ3-CG1 4.39Å; L100-I103 HydrophobicContact CD1-CD1 4.22Å; L100-I103 HydrophobicContact CD1-CG1 4.18Å; L100-I103 VanDerWaalsContact O-CG1 3.24Å; L100-I103 WeakPolarHBondContact O-CG1 3.42Å; L100-I103 PolarHBondContact O-N 2.97Å; D101-I103 VanDerWaalsContact C-N 3.29Å
104C94.9Very high96.1Very high17 Ų1736.1 Ų36.112%0.11519%0.19CC..  trans-154.9160.4173.572.20000113R7 W85 L100 D101R7-C104 HydrophobicContact CG-CB 4.03Å; W85-C104 HydrophobicContact CE3-CB 4.39Å; W85-C104 HydrophobicContact CH2-CB 4.23Å; W85-C104 HydrophobicContact CZ3-CB 3.67Å; W85-C104 VanDerWaalsContact CZ3-SG 3.54Å; L100-C104 PolarHBondContact O-N 3.47Å; L100-C104 VanDerWaalsContact O-N 3.12Å; D101-C104 WeakPolarHBondContact CA-O 3.27Å
105E95.3Very high95.9Very high137 Ų13735.9 Ų35.964%0.6419%0.192SC*.  trans-91.8119163.1-175.5-173.1-15400108.1K4 R7 D107K4-E105 IonicContact NZ-OE2 3.09Å; K4-E105 PolarHBondContact NZ-OE2 3.5Å; R7-E105 WeakPolarHBondContact CB-O 3.42Å; R7-E105 WeakPolarHBondContact CG-O 3.07Å; E105-D107 PolarHBondContact O-N 2.91Å
106V97.1Very high95.4Very high8 Ų837.8 Ų37.85%0.04819%0.189CC..  trans-76.7117.9179.3-179.70000110V9 L100 V109 Y185V9-V106 HydrophobicContact CG2-CG1 3.81Å; L100-V106 HydrophobicContact CD2-CG2 3.81Å; L100-V106 HydrophobicContact CG-CG2 4.23Å; V106-V109 HydrophobicContact CG1-CG2 3.51Å; V106-Y185 HydrophobicContact CB-CE1 4.04Å; V106-Y185 HydrophobicContact CG1-CE1 4.2Å; V106-Y185 HydrophobicContact CG2-CE1 4.17Å
107D95.6Very high95Very high25 Ų2542.9 Ų42.913%0.13421%0.213CC..  trans-86.8-27.6-174.7-58.2-70000113.8K4 L6 R7 E105K4-D107 VanDerWaalsContact CE-OD1 3.28Å; K4-D107 WeakPolarHBondContact CE-OD1 3.35Å; K4-D107 IonicContact NZ-OD1 3.59Å; K4-D107 PolarHBondContact NZ-OD1 3.43Å; L6-D107 HydrophobicContact CD1-CB 4.23Å; R7-D107 PolarHBondContact N-OD2 3.03Å; R7-D107 PolarHBondContact O-N 3.36Å; E105-D107 PolarHBondContact O-N 2.91Å
108L97.3Very high94.6Very high2 Ų244.5 Ų44.51%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-149.5124.5-171176.161.3000110.3L6 R7 A8 V9 I110 H192 F210L6-L108 HydrophobicContact CD1-CB 4.45Å; R7-L108 PolarHBondContact O-N 3.31Å; A8-L108 CarbonylContact C-O 3.59Å; A8-L108 VanDerWaalsContact CA-O 3.28Å; A8-L108 WeakPolarHBondContact CA-O 3.42Å; A8-L108 HydrophobicContact CB-CB 4.32Å; A8-L108 HydrophobicContact CB-CD2 4.36Å; V9-L108 PolarHBondContact N-O 3.29Å; L108-I110 HydrophobicContact CD1-CG1 4.15Å; L108-I110 HydrophobicContact CD2-CD1 4.42Å; L108-I110 HydrophobicContact CG-CG1 4.26Å; L108-H192 WeakPolarHBondContact CD1-CD2 3.44Å; L108-F210 HydrophobicContact CD2-CD2 4.26Å; L108-F210 HydrophobicContact CD2-CE2 3.95Å; L108-F210 HydrophobicContact CD2-CZ 4.08Å
109V98.1Very high94.3Very high0 Ų039.6 Ų39.60%020%0.2CC..EExtended strand (participates in β ladder)trans-123.9126171.3-175.10000108.9V9 L11 V106 Y185 V190 L191 H192V9-V109 HydrophobicContact CB-CG1 4.24Å; V9-V109 HydrophobicContact CB-CG2 4.12Å; V9-V109 HydrophobicContact CG1-CG1 4.28Å; V9-V109 CarbonylContact O-C 3.54Å; V9-V109 WeakPolarHBondContact O-CA 3.47Å; L11-V109 HydrophobicContact CD1-CG1 3.8Å; L11-V109 HydrophobicContact CG-CG1 4.05Å; V106-V109 HydrophobicContact CG1-CG2 3.51Å; V109-Y185 HydrophobicContact CB-CD2 4.37Å; V109-Y185 HydrophobicContact CB-CG 4.21Å; V109-Y185 HydrophobicContact CG1-CD2 3.93Å; V109-Y185 HydrophobicContact CG1-CG 4.24Å; V109-Y185 HydrophobicContact CG2-CD1 3.67Å; V109-Y185 HydrophobicContact CG2-CD2 3.84Å; V109-Y185 HydrophobicContact CG2-CE1 4.09Å; V109-Y185 HydrophobicContact CG2-CE2 4.2Å; V109-Y185 HydrophobicContact CG2-CG 3.56Å; V109-V190 HydrophobicContact CG2-CG2 4.08Å; V109-V190 PolarHBondContact N-O 3.44Å; V109-L191 HydrophobicContact CB-CD1 4.07Å; V109-L191 HydrophobicContact CG1-CD1 3.7Å; V109-L191 CarbonylContact O-C 3.4Å; V109-L191 WeakPolarHBondContact O-CA 3.48Å; V109-H192 PolarHBondContact O-N 2.89Å
110I97.3Very high93.8Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-110.6123.4174.7-57.8-178.9000108.5V9 I10 L11 L108 L112 H192 V206 L209 F210V9-I110 PolarHBondContact O-N 3.42Å; I10-I110 CarbonylContact C-O 3.54Å; I10-I110 WeakPolarHBondContact CA-O 2.95Å; I10-I110 HydrophobicContact CD1-CB 3.71Å; I10-I110 HydrophobicContact CD1-CD1 3.83Å; I10-I110 HydrophobicContact CD1-CG1 4.01Å; L11-I110 PolarHBondContact N-O 3.12Å; L108-I110 HydrophobicContact CD1-CG1 4.15Å; L108-I110 HydrophobicContact CD2-CD1 4.42Å; L108-I110 HydrophobicContact CG-CG1 4.26Å; I110-L112 HydrophobicContact CG2-CD2 4.1Å; I110-H192 CarbonylContact C-O 3.56Å; I110-H192 VanDerWaalsContact CA-O 3.27Å; I110-H192 WeakPolarHBondContact CA-O 3.26Å; I110-H192 HydrophobicContact CG1-CB 4.47Å; I110-V206 HydrophobicContact CD1-CB 4.49Å; I110-V206 HydrophobicContact CD1-CG1 3.95Å; I110-V206 HydrophobicContact CD1-CG2 4.2Å; I110-V206 HydrophobicContact CG2-CG2 4.32Å; I110-L209 HydrophobicContact CD1-CD1 3.92Å; I110-L209 HydrophobicContact CG1-CD1 4.22Å; I110-F210 HydrophobicContact CD1-CD2 4.26Å; I110-F210 HydrophobicContact CD1-CE2 3.69Å
111S96.6Very high93.3Very high3 Ų346.5 Ų46.52%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-107121.2173.6179.50000110.6L11 N113 H192 Q193 F194L11-S111 CarbonylContact O-C 3Å; L11-S111 WeakPolarHBondContact O-CA 3.26Å; S111-N113 PolarHBondContact O-N 3.42Å; S111-H192 PolarHBondContact N-O 2.92Å; S111-Q193 WeakPolarHBondContact O-CA 3.44Å; S111-F194 PolarHBondContact O-N 3.23Å
112L94.9Very high93Very high0 Ų046.2 Ų46.20%023%0.226CC..EExtended strand (participates in β ladder)trans-87.596.9174.3-56.3-173.7000109.8L11 P13 K18 V21 I110 I114 F194 I202L11-L112 PolarHBondContact O-N 3.24Å; P13-L112 WeakPolarHBondContact CD-O 3.44Å; K18-L112 HydrophobicContact CB-CD1 4.02Å; V21-L112 HydrophobicContact CG2-CD1 4.25Å; I110-L112 HydrophobicContact CG2-CD2 4.1Å; L112-I114 HydrophobicContact CB-CG1 4.4Å; L112-I114 PolarHBondContact O-N 2.64Å; L112-F194 HydrophobicContact CD2-CB 4.31Å; L112-I202 HydrophobicContact CD1-CD1 4.49Å; L112-I202 HydrophobicContact CD2-CD1 4.36Å; L112-I202 HydrophobicContact CD2-CG2 3.61Å
113N92.2Very high92.6Very high78 Ų7838 Ų3842%0.41719%0.191SC..EExtended strand (participates in β ladder)trans-91.384178.9-174.939.5000110.6S111 Q193 F194 S195S111-N113 PolarHBondContact O-N 3.42Å; N113-Q193 HydrophobicContact CB-CG 3.89Å; N113-F194 WeakPolarHBondContact CA-O 3.4Å; N113-F194 WeakPolarHBondContact CB-O 3.33Å; N113-F194 PolarHBondContact N-O 3.12Å; N113-S195 PolarHBondContact ND2-OG 2.78Å; N113-S195 VanDerWaalsContact ND2-OG 3.15Å; N113-S195 WeakPolarHBondContact O-CA 3.43Å
114I91.5Very high92.1Very high7 Ų739 Ų394%0.03620%0.2CC..  trans-97.3138-178.7-48.4-55.9000109.4L112 T118 L119 G196 I202L112-I114 HydrophobicContact CB-CG1 4.4Å; L112-I114 PolarHBondContact O-N 2.64Å; I114-T118 HydrophobicContact CG2-CG2 3.83Å; I114-L119 HydrophobicContact CB-CD1 4.43Å; I114-L119 HydrophobicContact CB-CD2 3.75Å; I114-L119 HydrophobicContact CB-CG 4.04Å; I114-L119 HydrophobicContact CG1-CD2 4.38Å; I114-L119 HydrophobicContact CG2-CD2 3.84Å; I114-L119 HydrophobicContact CG2-CG 4.03Å; I114-L119 WeakPolarHBondContact O-CD1 3.42Å; I114-G196 WeakPolarHBondContact CD1-O 3.19Å; I114-I202 HydrophobicContact CD1-CD1 3.79Å
115P91.1Very high91.8Very high61 Ų6143.4 Ų43.440%0.39622%0.215SC..  trans-56.2143.3178-26.635.6000113.1E117 T118 L119 G196 T197P115-E117 PolarHBondContact O-N 3.08Å; P115-T118 WeakPolarHBondContact O-CB 3.48Å; P115-T118 PolarHBondContact O-N 2.88Å; P115-T118 VanDerWaalsContact O-N 3.16Å; P115-L119 WeakPolarHBondContact O-CG 3.45Å; P115-L119 PolarHBondContact O-N 3.26Å; P115-G196 WeakPolarHBondContact CD-O 3.4Å; P115-T197 HydrophobicContact CG-CG2 3.95Å
116F87.8Confident91.6Very high81 Ų8139.6 Ų39.636%0.35519%0.194SC..Hα-helixtrans-55.4-46.3-176.6177.9-88000113.1T118 L119 K120 A168 L171F116-T118 VanDerWaalsContact C-N 3.33Å; F116-T118 PolarHBondContact O-N 3Å; F116-L119 WeakPolarHBondContact O-CB 3.29Å; F116-L119 PolarHBondContact O-N 3Å; F116-L119 VanDerWaalsContact O-N 3.12Å; F116-K120 HydrophobicContact CE1-CD 4.45Å; F116-K120 PolarHBondContact O-N 3.1Å; F116-A168 HydrophobicContact CZ-CB 3.95Å; F116-L171 HydrophobicContact CD2-CB 3.9Å; F116-L171 HydrophobicContact CD2-CD1 3.5Å; F116-L171 VanDerWaalsContact CD2-CD1 3.5Å; F116-L171 HydrophobicContact CD2-CG 4.32Å; F116-L171 HydrophobicContact CE2-CB 3.6Å; F116-L171 HydrophobicContact CE2-CD1 3.41Å; F116-L171 VanDerWaalsContact CE2-CD1 3.41Å; F116-L171 HydrophobicContact CE2-CG 4.14Å; F116-L171 HydrophobicContact CG-CD1 4.29Å; F116-L171 HydrophobicContact CZ-CD1 4.11Å
117E88.4Confident91.3Very high108 Ų10841.5 Ų41.551%0.50520%0.201SC..Hα-helixtrans-62.3-41.5179.8-63.9-53.5139.900111.6P115 L119 K120 D121P115-E117 PolarHBondContact O-N 3.08Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 3.17Å; E117-K120 WeakPolarHBondContact O-CB 3.46Å; E117-K120 PolarHBondContact O-N 3.44Å; E117-D121 PolarHBondContact O-N 3.08Å
118T89.6Confident91.1Very high33 Ų3340.8 Ų40.820%0.20220%0.197CC..Hα-helixtrans-61.2-39174.7-53.30000112I114 P115 F116 R122I114-T118 HydrophobicContact CG2-CG2 3.83Å; P115-T118 WeakPolarHBondContact O-CB 3.48Å; P115-T118 PolarHBondContact O-N 2.88Å; P115-T118 VanDerWaalsContact O-N 3.16Å; F116-T118 VanDerWaalsContact C-N 3.33Å; F116-T118 PolarHBondContact O-N 3Å; T118-R122 WeakPolarHBondContact O-CB 3.48Å; T118-R122 WeakPolarHBondContact O-CD 3.24Å; T118-R122 WeakPolarHBondContact O-CG 3.46Å; T118-R122 PolarHBondContact O-N 3.29Å
119L90.1Very high90.9Very high5 Ų540.9 Ų40.93%0.02620%0.197CC..Hα-helixtrans-66.7-41.6176.8-65.1171.3000111.7P13 S16 I114 P115 F116 E117 R122 L123 L171P13-L119 HydrophobicContact CB-CD1 3.8Å; P13-L119 HydrophobicContact CG-CD1 3.32Å; P13-L119 HydrophobicContact CG-CD2 4.13Å; P13-L119 HydrophobicContact CG-CG 4.37Å; S16-L119 VanDerWaalsContact N-CD2 3.34Å; I114-L119 HydrophobicContact CB-CD1 4.43Å; I114-L119 HydrophobicContact CB-CD2 3.75Å; I114-L119 HydrophobicContact CB-CG 4.04Å; I114-L119 HydrophobicContact CG1-CD2 4.38Å; I114-L119 HydrophobicContact CG2-CD2 3.84Å; I114-L119 HydrophobicContact CG2-CG 4.03Å; I114-L119 WeakPolarHBondContact O-CD1 3.42Å; P115-L119 WeakPolarHBondContact O-CG 3.45Å; P115-L119 PolarHBondContact O-N 3.26Å; F116-L119 WeakPolarHBondContact O-CB 3.29Å; F116-L119 PolarHBondContact O-N 3Å; F116-L119 VanDerWaalsContact O-N 3.12Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 3.17Å; L119-R122 PolarHBondContact O-N 3.02Å; L119-L123 WeakPolarHBondContact O-CB 3.01Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 3.44Å; L119-L171 HydrophobicContact CB-CD1 3.93Å; L119-L171 HydrophobicContact CB-CD2 4.23Å; L119-L171 HydrophobicContact CD1-CD1 4.42Å; L119-L171 HydrophobicContact CD1-CD2 3.71Å
120K86.8Confident90.3Very high74 Ų7444.5 Ų44.532%0.32222%0.221SC..Hα-helixtrans-61-48.8177.2-175.1-174.8172.5-167.70111.3F116 E117 R122 L123 S124 V167F116-K120 HydrophobicContact CE1-CD 4.45Å; F116-K120 PolarHBondContact O-N 3.1Å; E117-K120 WeakPolarHBondContact O-CB 3.46Å; E117-K120 PolarHBondContact O-N 3.44Å; K120-R122 PolarHBondContact O-N 3.4Å; K120-L123 PolarHBondContact O-N 2.9Å; K120-S124 PolarHBondContact O-N 3.29Å; K120-V167 HydrophobicContact CB-CG1 4.41Å; K120-V167 HydrophobicContact CG-CG1 4.45Å
121D87.6Confident89.7Confident86 Ų8649.3 Ų49.346%0.4625%0.252SS..Hα-helixtrans-60.2-46.7177.7-69.8-18000111.3E117 L123 S124 R125E117-D121 PolarHBondContact O-N 3.08Å; D121-L123 VanDerWaalsContact C-N 3.34Å; D121-L123 PolarHBondContact O-N 3.16Å; D121-S124 PolarHBondContact O-N 2.97Å; D121-S124 PolarHBondContact O-OG 3.37Å; D121-R125 PolarHBondContact O-N 3.39Å
122R89.3Confident89Confident40 Ų4051.4 Ų51.415%0.15127%0.266CS..Hα-helixtrans-60.9-40.5178.4-75.3172.5176.9-162.7-0.8113.1G15 S16 T118 L119 K120 R125 R126 N137 T197G15-R122 VanDerWaalsContact O-CD 3.26Å; G15-R122 WeakPolarHBondContact O-CD 3.36Å; G15-R122 PolarHBondContact O-NH1 2.84Å; G15-R122 VanDerWaalsContact O-NH1 3.08Å; S16-R122 PolarHBondContact O-NH1 3.46Å; S16-R122 VanDerWaalsContact O-NH1 3.16Å; T118-R122 WeakPolarHBondContact O-CB 3.48Å; T118-R122 WeakPolarHBondContact O-CD 3.24Å; T118-R122 WeakPolarHBondContact O-CG 3.46Å; T118-R122 PolarHBondContact O-N 3.29Å; L119-R122 PolarHBondContact O-N 3.02Å; K120-R122 PolarHBondContact O-N 3.4Å; R122-R125 PolarHBondContact O-N 3.25Å; R122-R126 PolarHBondContact O-N 3Å; R122-N137 PolarHBondContact O-ND2 2.89Å; R122-T197 PolarHBondContact NH2-O 3.04Å
123L87.1Confident88.4Confident2 Ų252.8 Ų52.81%0.0128%0.281CS..Hα-helixtrans-71.2-38.4179.7-71167.4000111.1P14 L119 K120 D121 R125 R126 V167P14-L123 HydrophobicContact CB-CD1 4.2Å; P14-L123 HydrophobicContact CB-CD2 4.49Å; L119-L123 WeakPolarHBondContact O-CB 3.01Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 3.44Å; K120-L123 PolarHBondContact O-N 2.9Å; D121-L123 VanDerWaalsContact C-N 3.34Å; D121-L123 PolarHBondContact O-N 3.16Å; L123-R125 PolarHBondContact O-N 3.49Å; L123-R125 VanDerWaalsContact O-N 3.16Å; L123-R126 VanDerWaalsContact O-CB 3.23Å; L123-R126 WeakPolarHBondContact O-CB 3.28Å; L123-R126 PolarHBondContact O-N 3.46Å; L123-V167 HydrophobicContact CB-CG1 4.3Å; L123-V167 HydrophobicContact CB-CG2 3.75Å; L123-V167 HydrophobicContact CD1-CB 4.28Å; L123-V167 HydrophobicContact CD1-CG1 3.48Å; L123-V167 VanDerWaalsContact CD1-CG1 3.48Å; L123-V167 HydrophobicContact CD1-CG2 3.9Å; L123-V167 HydrophobicContact CG-CG2 4.43Å
124S85.3Confident88.2Confident51 Ų5152.8 Ų52.836%0.35728%0.275SS..Hα-helixtrans-61.5-25.4176.775.50000114.1K120 D121 Q158K120-S124 PolarHBondContact O-N 3.29Å; D121-S124 PolarHBondContact O-N 2.97Å; D121-S124 PolarHBondContact O-OG 3.37Å; S124-Q158 PolarHBondContact O-NE2 2.95Å
125R88.4Confident88.1Confident111 Ų11155.2 Ų55.242%0.41929%0.29SS..THydrogen-bonded Turntrans-103.811.9179.6-63.3176.4-176.1-175.30.3113D121 R122 L123 N137 L138 D139D121-R125 PolarHBondContact O-N 3.39Å; R122-R125 PolarHBondContact O-N 3.25Å; L123-R125 PolarHBondContact O-N 3.49Å; L123-R125 VanDerWaalsContact O-N 3.16Å; R125-N137 WeakPolarHBondContact O-CA 3.44Å; R125-L138 PolarHBondContact O-N 3.46Å; R125-D139 WeakPolarHBondContact CD-OD2 3.31Å; R125-D139 IonicContact CZ-OD1 3.36Å; R125-D139 IonicContact CZ-OD2 2.71Å; R125-D139 IonicContact NE-OD2 2.69Å; R125-D139 IonicContact NH1-OD1 3.17Å; R125-D139 PolarHBondContact NH1-OD1 2.91Å; R125-D139 IonicContact NH1-OD2 3.35Å; R125-D139 PolarHBondContact NH1-OD2 2.98Å
126R90.9Very high88Confident56 Ų5653 Ų5321%0.21127%0.274CS..EExtended strand (participates in β ladder)trans-83.4137.7179.4-171-179.4177.4-158.1-5.8110.5R122 L123 I128 V135 Y136 Q158 D162R122-R126 PolarHBondContact O-N 3Å; L123-R126 VanDerWaalsContact O-CB 3.23Å; L123-R126 WeakPolarHBondContact O-CB 3.28Å; L123-R126 PolarHBondContact O-N 3.46Å; R126-I128 HydrophobicContact CG-CG1 4.38Å; R126-I128 VanDerWaalsContact NH2-CD1 3.34Å; R126-V135 HydrophobicContact CG-CG1 3.72Å; R126-V135 VanDerWaalsContact NE-CG1 3.28Å; R126-Y136 WeakPolarHBondContact CA-O 3.33Å; R126-Q158 WeakPolarHBondContact O-CG 3.4Å; R126-Q158 PolarHBondContact O-NE2 3.35Å; R126-Q158 VanDerWaalsContact O-NE2 3.08Å; R126-D162 IonicContact NH1-OD1 3.3Å
127W91.8Very high88.1Confident49 Ų4950 Ų5019%0.18626%0.262CS..EExtended strand (participates in β ladder)trans-129.6146.4174-71.378.7000108.9V135 Y136 L156 Q158W127-V135 WeakPolarHBondContact O-CA 3.47Å; W127-Y136 PolarHBondContact N-O 3.3Å; W127-Y136 PolarHBondContact O-N 2.99Å; W127-L156 HydrophobicContact CB-CB 4.16Å; W127-L156 HydrophobicContact CB-CD1 4.06Å; W127-L156 HydrophobicContact CD2-CB 4.44Å; W127-L156 HydrophobicContact CE3-CB 3.66Å; W127-L156 HydrophobicContact CZ3-CB 4.45Å; W127-L156 WeakPolarHBondContact CZ3-O 3.27Å; W127-Q158 HydrophobicContact CD2-CG 3.73Å; W127-Q158 HydrophobicContact CE3-CG 4Å; W127-Q158 HydrophobicContact CG-CG 4.26Å; W127-Q158 HydrophobicContact CH2-CG 4.16Å; W127-Q158 HydrophobicContact CZ2-CG 3.86Å; W127-Q158 HydrophobicContact CZ3-CG 4.22Å
128I91.3Very high88Confident10 Ų1047.8 Ų47.85%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-134.2140.4-176.8-56.3-178.8000109.1R126 P130 R134 V135 V157 Q159R126-I128 HydrophobicContact CG-CG1 4.38Å; R126-I128 VanDerWaalsContact NH2-CD1 3.34Å; I128-P130 WeakPolarHBondContact O-CD 3.22Å; I128-R134 WeakPolarHBondContact CA-O 3.25Å; I128-V135 HydrophobicContact CG1-CG2 4.28Å; I128-V157 PolarHBondContact N-O 2.95Å; I128-V157 PolarHBondContact O-N 3.48Å; I128-Q159 VanDerWaalsContact CD1-CD 3.42Å; I128-Q159 HydrophobicContact CD1-CG 3.85Å
129H92.7Very high87.7Confident3 Ų351.1 Ų51.11%0.01427%0.27CS..  trans-89.8105.6166.2-177.9-140.6000109.5P131 S132 G133 R134 D149 T152 E154 L156H129-P131 WeakPolarHBondContact NE2-CD 3.17Å; H129-S132 PolarHBondContact ND1-OG 2.9Å; H129-S132 PolarHBondContact O-N 2.66Å; H129-S132 PolarHBondContact O-OG 3.33Å; H129-G133 WeakPolarHBondContact O-CA 3.18Å; H129-G133 PolarHBondContact O-N 3.18Å; H129-R134 HydrophobicContact CB-CB 4.32Å; H129-R134 PolarHBondContact N-O 3.4Å; H129-R134 PolarHBondContact ND1-NH2 3.27Å; H129-D149 HydrophobicContact CB-CB 4.08Å; H129-D149 WeakPolarHBondContact CB-OD1 3.21Å; H129-D149 IonicContact CG-OD1 3.75Å; H129-D149 VanDerWaalsContact CG-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-CG 3.33Å; H129-D149 IonicContact ND1-OD1 2.9Å; H129-D149 PolarHBondContact ND1-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-OD1 3.09Å; H129-D149 IonicContact ND1-OD2 3.46Å; H129-T152 PolarHBondContact CE1-OG1 3.5Å; H129-E154 IonicContact CE1-OE2 2.66Å; H129-E154 PolarHBondContact CE1-OE2 3.45Å; H129-E154 WeakPolarHBondContact NE2-CB 3.41Å; H129-E154 IonicContact NE2-OE2 2.84Å; H129-E154 PolarHBondContact NE2-OE2 3.05Å; H129-L156 HydrophobicContact CB-CD2 3.6Å
130P86.1Confident87.1Confident77 Ų7754.4 Ų54.450%0.528%0.284SS..THydrogen-bonded Turntrans-58.4-44.9-167.8-22.932.6000115.6I128 S132 V157I128-P130 WeakPolarHBondContact O-CD 3.22Å; P130-S132 VanDerWaalsContact C-N 3.33Å; P130-S132 PolarHBondContact O-N 2.73Å; P130-V157 HydrophobicContact CG-CG1 4.34Å; P130-V157 HydrophobicContact CG-CG2 3.52Å
131P84.4Confident87.1Confident101 Ų10153.7 Ų53.766%0.65628%0.283SS*.THydrogen-bonded Turntrans-60.7-38.7-179.7-24.633.8000113.9H129H129-P131 WeakPolarHBondContact NE2-CD 3.17Å
132S82.6Confident87.3Confident46 Ų4653 Ų5332%0.32228%0.284SS..THydrogen-bonded Turntrans-96.3-24.5-175.571.60000113.9H129 P130 R134H129-S132 PolarHBondContact ND1-OG 2.9Å; H129-S132 PolarHBondContact O-N 2.66Å; H129-S132 PolarHBondContact O-OG 3.33Å; P130-S132 VanDerWaalsContact C-N 3.33Å; P130-S132 PolarHBondContact O-N 2.73Å; S132-R134 VanDerWaalsContact CB-NH1 3.32Å; S132-R134 PolarHBondContact O-N 3.03Å; S132-R134 WeakPolarHBondContact OG-CB 3.4Å; S132-R134 WeakPolarHBondContact OG-CG 3.42Å; S132-R134 PolarHBondContact OG-N 3.34Å; S132-R134 PolarHBondContact OG-NE 3.44Å; S132-R134 PolarHBondContact OG-NH2 3.46Å
133G82.4Confident87.5Confident30 Ų3051.7 Ų51.731%0.30928%0.281SS..  trans72.49-168.700000114.6H129 V135H129-G133 WeakPolarHBondContact O-CA 3.18Å; H129-G133 PolarHBondContact O-N 3.18Å; G133-V135 WeakPolarHBondContact O-CG2 3.48Å
134R87Confident87.9Confident78 Ų7859.4 Ų59.429%0.29432%0.316SS..  trans-58.7139172.4-77.1-176.3-70.4-85.4-0.8110I128 H129 S132 Y136 D149I128-R134 WeakPolarHBondContact CA-O 3.25Å; H129-R134 HydrophobicContact CB-CB 4.32Å; H129-R134 PolarHBondContact N-O 3.4Å; H129-R134 PolarHBondContact ND1-NH2 3.27Å; S132-R134 VanDerWaalsContact CB-NH1 3.32Å; S132-R134 PolarHBondContact O-N 3.03Å; S132-R134 WeakPolarHBondContact OG-CB 3.4Å; S132-R134 WeakPolarHBondContact OG-CG 3.42Å; S132-R134 PolarHBondContact OG-N 3.34Å; S132-R134 PolarHBondContact OG-NE 3.44Å; S132-R134 PolarHBondContact OG-NH2 3.46Å; R134-Y136 HydrophobicContact CB-CE2 4.02Å; R134-D149 IonicContact CZ-OD1 3.54Å; R134-D149 IonicContact CZ-OD2 3.57Å; R134-D149 IonicContact NE-OD1 3.71Å; R134-D149 PolarHBondContact NE-OD1 3.09Å; R134-D149 IonicContact NE-OD2 3.66Å; R134-D149 PolarHBondContact NE-OD2 3.11Å; R134-D149 IonicContact NH2-OD1 3.2Å; R134-D149 PolarHBondContact NH2-OD1 3.27Å; R134-D149 VanDerWaalsContact NH2-OD1 3.17Å; R134-D149 IonicContact NH2-OD2 2.72Å; R134-D149 PolarHBondContact NH2-OD2 2.71Å
135V89.3Confident88.4Confident58 Ų5861.3 Ų61.335%0.35233%0.325SS..EExtended strand (participates in β ladder)trans-120131.3-174.3-177.90000109.8R126 W127 I128 G133 N141R126-V135 HydrophobicContact CG-CG1 3.72Å; R126-V135 VanDerWaalsContact NE-CG1 3.28Å; W127-V135 WeakPolarHBondContact O-CA 3.47Å; I128-V135 HydrophobicContact CG1-CG2 4.28Å; G133-V135 WeakPolarHBondContact O-CG2 3.48Å; V135-N141 PolarHBondContact O-ND2 2.86Å
136Y89.7Confident88.8Confident14 Ų1462.2 Ų62.26%0.05533%0.334CS..EExtended strand (participates in β ladder)trans-118.5147.9178-63.3-85.8000109.9R126 W127 R134 P143 D149 D150 L156R126-Y136 WeakPolarHBondContact CA-O 3.33Å; W127-Y136 PolarHBondContact N-O 3.3Å; W127-Y136 PolarHBondContact O-N 2.99Å; R134-Y136 HydrophobicContact CB-CE2 4.02Å; Y136-P143 HydrophobicContact CD1-CB 3.82Å; Y136-P143 HydrophobicContact CE1-CB 4.02Å; Y136-P143 HydrophobicContact CG-CB 4.3Å; Y136-D149 PolarHBondContact OH-OD1 3.46Å; Y136-D150 WeakPolarHBondContact CE1-OD2 3.5Å; Y136-D150 PolarHBondContact OH-N 2.81Å; Y136-D150 VanDerWaalsContact OH-N 3.15Å; Y136-D150 PolarHBondContact OH-OD2 2.94Å; Y136-L156 HydrophobicContact CD2-CD1 3.62Å; Y136-L156 HydrophobicContact CD2-CD2 3.66Å; Y136-L156 HydrophobicContact CD2-CG 4.31Å; Y136-L156 HydrophobicContact CE2-CD1 4.16Å; Y136-L156 HydrophobicContact CE2-CD2 3.67Å; Y136-L156 HydrophobicContact CG-CD1 3.97Å
137N89.9Confident88.9Confident18 Ų1860.2 Ų60.210%0.09633%0.331CS..EExtended strand (participates in β ladder)trans-137.7127.9171178.3-72.4000108.3R122 R125 D139 F140 N141 P142R122-N137 PolarHBondContact O-ND2 2.89Å; R125-N137 WeakPolarHBondContact O-CA 3.44Å; N137-D139 PolarHBondContact O-N 3.27Å; N137-D139 VanDerWaalsContact O-N 3.1Å; N137-D139 PolarHBondContact OD1-N 2.93Å; N137-F140 HydrophobicContact CB-CB 4.39Å; N137-F140 PolarHBondContact O-N 2.9Å; N137-F140 PolarHBondContact OD1-N 3.16Å; N137-N141 WeakPolarHBondContact CB-OD1 3.46Å; N137-N141 PolarHBondContact N-O 3.07Å; N137-N141 PolarHBondContact N-OD1 3.33Å; N137-N141 CarbonylContact O-C 3.59Å; N137-N141 PolarHBondContact O-N 2.91Å; N137-P142 VanDerWaalsContact O-N 3.08Å
138L86.1Confident89.2Confident61 Ų6160.6 Ų60.632%0.31934%0.336SS..THydrogen-bonded Turntrans-61.1-23.9-170.6-60.6178.1000114.3R125R125-L138 PolarHBondContact O-N 3.46Å
139D83.3Confident89.4Confident103 Ų10360.2 Ų60.255%0.55133%0.334SS*.THydrogen-bonded Turntrans-95.4-27.7-179.5-54.3-52.2000113.3R125 N137R125-D139 WeakPolarHBondContact CD-OD2 3.31Å; R125-D139 IonicContact CZ-OD1 3.36Å; R125-D139 IonicContact CZ-OD2 2.71Å; R125-D139 IonicContact NE-OD2 2.69Å; R125-D139 IonicContact NH1-OD1 3.17Å; R125-D139 PolarHBondContact NH1-OD1 2.91Å; R125-D139 IonicContact NH1-OD2 3.35Å; R125-D139 PolarHBondContact NH1-OD2 2.98Å; N137-D139 PolarHBondContact O-N 3.27Å; N137-D139 VanDerWaalsContact O-N 3.1Å; N137-D139 PolarHBondContact OD1-N 2.93Å
140F78.3Confident89.6Confident74 Ų7462.9 Ų62.933%0.32535%0.349SS..THydrogen-bonded Turntrans-109.3-43.7-169.2178.3-100.5000113.3T20 N137 T199T20-F140 HydrophobicContact CG2-CE1 3.8Å; T20-F140 HydrophobicContact CG2-CZ 4.06Å; N137-F140 HydrophobicContact CB-CB 4.39Å; N137-F140 PolarHBondContact O-N 2.9Å; N137-F140 PolarHBondContact OD1-N 3.16Å; F140-T199 HydrophobicContact CZ-CG2 4.2Å
141N85.6Confident90Very high59 Ų5964.3 Ų64.332%0.31636%0.356SS..BIsolated β-bridgetrans-146.270.2178.968-47.9000108.7V135 N137V135-N141 PolarHBondContact O-ND2 2.86Å; N137-N141 WeakPolarHBondContact CB-OD1 3.46Å; N137-N141 PolarHBondContact N-O 3.07Å; N137-N141 PolarHBondContact N-OD1 3.33Å; N137-N141 CarbonylContact O-C 3.59Å; N137-N141 PolarHBondContact O-N 2.91Å
142P91.5Very high90.6Very high73 Ų7362.8 Ų62.847%0.47435%0.345SS..  trans-63.6146.6178.227.3-33.9000109.6N137N137-P142 VanDerWaalsContact O-N 3.08Å
143P94.6Very high91.2Very high12 Ų1262.9 Ų62.98%0.07835%0.353CS..  trans-63.4154.7169.331.1-35000109.7Y136 V145 I148 D150 L156Y136-P143 HydrophobicContact CD1-CB 3.82Å; Y136-P143 HydrophobicContact CE1-CB 4.02Å; Y136-P143 HydrophobicContact CG-CB 4.3Å; P143-V145 WeakPolarHBondContact CB-O 3.48Å; P143-V145 VanDerWaalsContact CG-O 3.31Å; P143-V145 WeakPolarHBondContact CG-O 3.31Å; P143-V145 PolarHBondContact O-N 3.16Å; P143-I148 WeakPolarHBondContact CB-O 3.22Å; P143-D150 WeakPolarHBondContact CA-OD1 3.23Å; P143-L156 HydrophobicContact CB-CD1 4.05Å; P143-L156 HydrophobicContact CG-CD1 3.97Å
144H95.3Very high91.9Very high163 Ų16365.4 Ų65.476%0.75536%0.357SS*.SBendtrans-57.4-36.2175.2-64.1153.9000111.7D150H144-D150 WeakPolarHBondContact CB-OD1 3.43Å; H144-D150 IonicContact CG-OD1 3.92Å; H144-D150 PolarHBondContact N-OD1 2.9Å; H144-D150 IonicContact ND1-OD1 3.05Å
145V95.8Very high92.3Very high91 Ų9166 Ų6655%0.55237%0.371SS*.SBendtrans-124.4128.5173.8-179.60000108.8P143 G147 I148P143-V145 WeakPolarHBondContact CB-O 3.48Å; P143-V145 VanDerWaalsContact CG-O 3.31Å; P143-V145 WeakPolarHBondContact CG-O 3.31Å; P143-V145 PolarHBondContact O-N 3.16Å; V145-G147 PolarHBondContact O-N 3.24Å; V145-I148 HydrophobicContact CB-CB 4.11Å; V145-I148 HydrophobicContact CB-CG1 4.38Å; V145-I148 HydrophobicContact CG1-CB 4.27Å; V145-I148 HydrophobicContact CG1-CG1 3.98Å; V145-I148 PolarHBondContact O-N 3.39Å; V145-I148 VanDerWaalsContact O-N 3.09Å
146H95.4Very high92.6Very high130 Ų13063.7 Ų63.760%0.60236%0.357SS*.THydrogen-bonded Turntrans-55.7128-177.3-174.874.4000111.7I148H146-I148 VanDerWaalsContact C-N 3.3Å; H146-I148 PolarHBondContact O-N 2.81Å
147G94.5Very high92.8Very high15 Ų1566.1 Ų66.116%0.15537%0.372CS..THydrogen-bonded Turntrans76.98.4178.500000115.3V145 L156V145-G147 PolarHBondContact O-N 3.24Å; G147-L156 PolarHBondContact O-N 2.94Å
148I97Very high92.7Very high56 Ų5669.7 Ų69.729%0.28739%0.389SS..BIsolated β-bridgetrans-125.3139.5-175.8-59.9-63.3000110.9P143 V145 H146 G153P143-I148 WeakPolarHBondContact CB-O 3.22Å; V145-I148 HydrophobicContact CB-CB 4.11Å; V145-I148 HydrophobicContact CB-CG1 4.38Å; V145-I148 HydrophobicContact CG1-CB 4.27Å; V145-I148 HydrophobicContact CG1-CG1 3.98Å; V145-I148 PolarHBondContact O-N 3.39Å; V145-I148 VanDerWaalsContact O-N 3.09Å; H146-I148 VanDerWaalsContact C-N 3.3Å; H146-I148 PolarHBondContact O-N 2.81Å; I148-G153 WeakPolarHBondContact CG2-O 3.37Å
149D96.8Very high92.5Very high2 Ų270.6 Ų70.61%0.01139%0.391CS..  trans-72.8131174.2-178.190.5000111.7H129 R134 Y136 V151 T152 G153 E154 L156H129-D149 HydrophobicContact CB-CB 4.08Å; H129-D149 WeakPolarHBondContact CB-OD1 3.21Å; H129-D149 IonicContact CG-OD1 3.75Å; H129-D149 VanDerWaalsContact CG-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-CG 3.33Å; H129-D149 IonicContact ND1-OD1 2.9Å; H129-D149 PolarHBondContact ND1-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-OD1 3.09Å; H129-D149 IonicContact ND1-OD2 3.46Å; R134-D149 IonicContact CZ-OD1 3.54Å; R134-D149 IonicContact CZ-OD2 3.57Å; R134-D149 IonicContact NE-OD1 3.71Å; R134-D149 PolarHBondContact NE-OD1 3.09Å; R134-D149 IonicContact NE-OD2 3.66Å; R134-D149 PolarHBondContact NE-OD2 3.11Å; R134-D149 IonicContact NH2-OD1 3.2Å; R134-D149 PolarHBondContact NH2-OD1 3.27Å; R134-D149 VanDerWaalsContact NH2-OD1 3.17Å; R134-D149 IonicContact NH2-OD2 2.72Å; R134-D149 PolarHBondContact NH2-OD2 2.71Å; Y136-D149 PolarHBondContact OH-OD1 3.46Å; D149-V151 PolarHBondContact O-N 3.1Å; D149-V151 WeakPolarHBondContact OD2-CA 3.48Å; D149-V151 WeakPolarHBondContact OD2-CB 3.33Å; D149-V151 PolarHBondContact OD2-N 3.29Å; D149-T152 PolarHBondContact OD2-N 2.89Å; D149-T152 PolarHBondContact OD2-OG1 3.45Å; D149-G153 VanDerWaalsContact O-CA 3.32Å; D149-G153 WeakPolarHBondContact O-CA 3.19Å; D149-G153 PolarHBondContact O-N 3.37Å; D149-E154 PolarHBondContact N-O 3.48Å; D149-L156 HydrophobicContact CB-CD2 3.93Å
150D95.4Very high92.4Very high60 Ų6072 Ų7232%0.32139%0.394SS..THydrogen-bonded Turntrans-67.1-21.6-173.9-62.8-25.8000114.3Y136 P143 H144Y136-D150 WeakPolarHBondContact CE1-OD2 3.5Å; Y136-D150 PolarHBondContact OH-N 2.81Å; Y136-D150 VanDerWaalsContact OH-N 3.15Å; Y136-D150 PolarHBondContact OH-OD2 2.94Å; P143-D150 WeakPolarHBondContact CA-OD1 3.23Å; H144-D150 WeakPolarHBondContact CB-OD1 3.43Å; H144-D150 IonicContact CG-OD1 3.92Å; H144-D150 PolarHBondContact N-OD1 2.9Å; H144-D150 IonicContact ND1-OD1 3.05Å
151V95.1Very high92.3Very high107 Ų10772.3 Ų72.365%0.64840%0.399SS*.THydrogen-bonded Turntrans-97.3-43.2-174.7-179.40000111.1D149D149-V151 PolarHBondContact O-N 3.1Å; D149-V151 WeakPolarHBondContact OD2-CA 3.48Å; D149-V151 WeakPolarHBondContact OD2-CB 3.33Å; D149-V151 PolarHBondContact OD2-N 3.29Å
152T96.4Very high92.1Very high68 Ų6869.8 Ų69.842%0.41739%0.386SS..THydrogen-bonded Turntrans-103.8-18-174.160.10000113.7H129 D149 E154H129-T152 PolarHBondContact CE1-OG1 3.5Å; D149-T152 PolarHBondContact OD2-N 2.89Å; D149-T152 PolarHBondContact OD2-OG1 3.45Å; T152-E154 WeakPolarHBondContact CB-OE2 3.46Å; T152-E154 PolarHBondContact O-N 2.88Å; T152-E154 WeakPolarHBondContact OG1-CB 3.19Å; T152-E154 WeakPolarHBondContact OG1-CG 3.4Å; T152-E154 PolarHBondContact OG1-N 3.47Å; T152-E154 PolarHBondContact OG1-OE2 3.23Å
153G95.4Very high91.6Very high48 Ų4870.9 Ų70.950%0.49538%0.383SS..  trans72.48.7-171.700000113.7I148 D149I148-G153 WeakPolarHBondContact CG2-O 3.37Å; D149-G153 VanDerWaalsContact O-CA 3.32Å; D149-G153 WeakPolarHBondContact O-CA 3.19Å; D149-G153 PolarHBondContact O-N 3.37Å
154E96.8Very high90.9Very high83 Ų8373.7 Ų73.739%0.38840%0.402SS..PPolyproline II helixtrans-81.6157.2-179.3-68.6169.313500111.8H129 D149 T152H129-E154 IonicContact CE1-OE2 2.66Å; H129-E154 PolarHBondContact CE1-OE2 3.45Å; H129-E154 WeakPolarHBondContact NE2-CB 3.41Å; H129-E154 IonicContact NE2-OE2 2.84Å; H129-E154 PolarHBondContact NE2-OE2 3.05Å; D149-E154 PolarHBondContact N-O 3.48Å; T152-E154 WeakPolarHBondContact CB-OE2 3.46Å; T152-E154 PolarHBondContact O-N 2.88Å; T152-E154 WeakPolarHBondContact OG1-CB 3.19Å; T152-E154 WeakPolarHBondContact OG1-CG 3.4Å; T152-E154 PolarHBondContact OG1-N 3.47Å; T152-E154 PolarHBondContact OG1-OE2 3.23Å
155P96.9Very high90.3Very high92 Ų9272.9 Ų72.960%0.59740%0.398SS*.BIsolated β-bridgetrans-63.4138.3-179.6-2233.4000113.6
156L95.9Very high89.7Confident9 Ų970 Ų705%0.04738%0.384CS..PPolyproline II helixtrans-84.4153166.6-57.6179000110.4W127 H129 Y136 P143 G147 D149W127-L156 HydrophobicContact CB-CB 4.16Å; W127-L156 HydrophobicContact CB-CD1 4.06Å; W127-L156 HydrophobicContact CD2-CB 4.44Å; W127-L156 HydrophobicContact CE3-CB 3.66Å; W127-L156 HydrophobicContact CZ3-CB 4.45Å; W127-L156 WeakPolarHBondContact CZ3-O 3.27Å; H129-L156 HydrophobicContact CB-CD2 3.6Å; Y136-L156 HydrophobicContact CD2-CD1 3.62Å; Y136-L156 HydrophobicContact CD2-CD2 3.66Å; Y136-L156 HydrophobicContact CD2-CG 4.31Å; Y136-L156 HydrophobicContact CE2-CD1 4.16Å; Y136-L156 HydrophobicContact CE2-CD2 3.67Å; Y136-L156 HydrophobicContact CG-CD1 3.97Å; P143-L156 HydrophobicContact CB-CD1 4.05Å; P143-L156 HydrophobicContact CG-CD1 3.97Å; G147-L156 PolarHBondContact O-N 2.94Å; D149-L156 HydrophobicContact CB-CD2 3.93Å
157V93.3Very high89.2Confident64 Ų6463.9 Ų63.939%0.38836%0.355SS..BIsolated β-bridgetrans-129152.7175.2-55.30000111.2I128 P130I128-V157 PolarHBondContact N-O 2.95Å; I128-V157 PolarHBondContact O-N 3.48Å; P130-V157 HydrophobicContact CG-CG1 4.34Å; P130-V157 HydrophobicContact CG-CG2 3.52Å
158Q88.6Confident88.8Confident93 Ų9364 Ų6444%0.43536%0.355SS..  trans-92.4138.8163-57.9-158-67.600109S124 R126 W127S124-Q158 PolarHBondContact O-NE2 2.95Å; R126-Q158 WeakPolarHBondContact O-CG 3.4Å; R126-Q158 PolarHBondContact O-NE2 3.35Å; R126-Q158 VanDerWaalsContact O-NE2 3.08Å; W127-Q158 HydrophobicContact CD2-CG 3.73Å; W127-Q158 HydrophobicContact CE3-CG 4Å; W127-Q158 HydrophobicContact CG-CG 4.26Å; W127-Q158 HydrophobicContact CH2-CG 4.16Å; W127-Q158 HydrophobicContact CZ2-CG 3.86Å; W127-Q158 HydrophobicContact CZ3-CG 4.22Å
159Q81.8Confident88.3Confident80 Ų8063.7 Ų63.737%0.37436%0.361SS..  trans-79.8147178.7-61.4-171.1-44.800110.3I128 D161 D162I128-Q159 VanDerWaalsContact CD1-CD 3.42Å; I128-Q159 HydrophobicContact CD1-CG 3.85Å; Q159-D161 HydrophobicContact CB-CB 4.45Å; Q159-D161 PolarHBondContact O-N 2.74Å; Q159-D162 WeakPolarHBondContact O-CB 3.46Å; Q159-D162 PolarHBondContact O-N 3.15Å
160E80.1Confident87.6Confident133 Ų13367.2 Ų67.262%0.62137%0.374SS*.G310 helixtrans-52.7-36.5169.1-77.8-70142.900111.5D162 K163E160-D162 PolarHBondContact O-N 3.41Å; E160-K163 WeakPolarHBondContact O-CB 3.41Å; E160-K163 WeakPolarHBondContact O-CG 3.41Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-K163 VanDerWaalsContact O-N 3.15Å; E160-K163 WeakPolarHBondContact OE1-CE 3.42Å; E160-K163 IonicContact OE1-NZ 3.88Å; E160-K163 PolarHBondContact OE1-NZ 3.17Å; E160-K163 VanDerWaalsContact OE2-CE 3.26Å; E160-K163 WeakPolarHBondContact OE2-CE 3.35Å; E160-K163 IonicContact OE2-NZ 3.99Å; E160-K163 PolarHBondContact OE2-NZ 2.71Å
161D77.1Confident87.2Confident80 Ų8064.8 Ų64.843%0.42836%0.361SS..G310 helixtrans-66.9-11.3177-73.8-6.2000115.1Q159 R170Q159-D161 HydrophobicContact CB-CB 4.45Å; Q159-D161 PolarHBondContact O-N 2.74Å; D161-R170 IonicContact OD2-NH1 2.83Å
162D80.8Confident86.9Confident7 Ų767 Ų674%0.03736%0.358CS..G310 helixtrans-94.20.7177.4-67.2-35.1000111.8R126 Q159 E160 V167R126-D162 IonicContact NH1-OD1 3.3Å; Q159-D162 WeakPolarHBondContact O-CB 3.46Å; Q159-D162 PolarHBondContact O-N 3.15Å; E160-D162 PolarHBondContact O-N 3.41Å; D162-V167 WeakPolarHBondContact O-CG2 3.49Å
163K81.7Confident86.4Confident96 Ų9668.8 Ų68.842%0.41736%0.361SS..SBendtrans-65.9148.7170.5-72.3179.8179.3168.60111.9E160 E165 A166 V167E160-K163 WeakPolarHBondContact O-CB 3.41Å; E160-K163 WeakPolarHBondContact O-CG 3.41Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-K163 VanDerWaalsContact O-N 3.15Å; E160-K163 WeakPolarHBondContact OE1-CE 3.42Å; E160-K163 IonicContact OE1-NZ 3.88Å; E160-K163 PolarHBondContact OE1-NZ 3.17Å; E160-K163 VanDerWaalsContact OE2-CE 3.26Å; E160-K163 WeakPolarHBondContact OE2-CE 3.35Å; E160-K163 IonicContact OE2-NZ 3.99Å; E160-K163 PolarHBondContact OE2-NZ 2.71Å; K163-E165 PolarHBondContact O-N 3.05Å; K163-A166 PolarHBondContact O-N 3.1Å; K163-A166 VanDerWaalsContact O-N 3.11Å; K163-V167 WeakPolarHBondContact O-CG2 3.48Å; K163-V167 PolarHBondContact O-N 3.01Å
164P79.3Confident86.1Confident71 Ų7169 Ų6946%0.46135%0.347SS..Hα-helixtrans-52.7-43.5-173-28.935.8000115.5A168P164-A168 PolarHBondContact O-N 3.45Å; P164-A168 VanDerWaalsContact O-N 3.1Å
165E82.3Confident85.8Confident145 Ų14572.1 Ų72.168%0.67836%0.36SS*.Hα-helixtrans-68.7-42.9179.7-56.788.7-176.500112K163 A168 A169K163-E165 PolarHBondContact O-N 3.05Å; E165-A168 PolarHBondContact O-N 3.13Å; E165-A169 PolarHBondContact O-N 3.11Å
166A83.8Confident85.4Confident30 Ų3073.4 Ų73.425%0.24836%0.362CS..Hα-helixtrans-63.2-42.5178.300000111.2K163 A169 R170K163-A166 PolarHBondContact O-N 3.1Å; K163-A166 VanDerWaalsContact O-N 3.11Å; A166-A169 PolarHBondContact O-N 3.25Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 VanDerWaalsContact O-CG 3.27Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 3.4Å
167V84.6Confident85.3Confident2 Ų275.7 Ų75.71%0.01238%0.376CS..Hα-helixtrans-59.5-48.8175169.50000111.2K120 L123 D162 K163 A169 R170 L171K120-V167 HydrophobicContact CB-CG1 4.41Å; K120-V167 HydrophobicContact CG-CG1 4.45Å; L123-V167 HydrophobicContact CB-CG1 4.3Å; L123-V167 HydrophobicContact CB-CG2 3.75Å; L123-V167 HydrophobicContact CD1-CB 4.28Å; L123-V167 HydrophobicContact CD1-CG1 3.48Å; L123-V167 VanDerWaalsContact CD1-CG1 3.48Å; L123-V167 HydrophobicContact CD1-CG2 3.9Å; L123-V167 HydrophobicContact CG-CG2 4.43Å; D162-V167 WeakPolarHBondContact O-CG2 3.49Å; K163-V167 WeakPolarHBondContact O-CG2 3.48Å; K163-V167 PolarHBondContact O-N 3.01Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.12Å; V167-R170 PolarHBondContact O-N 3.2Å; V167-L171 HydrophobicContact CG1-CD1 3.71Å; V167-L171 HydrophobicContact CG1-CG 4.21Å; V167-L171 WeakPolarHBondContact O-CB 3.38Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 3.2Å
168A85.4Confident85.2Confident17 Ų1772.9 Ų72.914%0.1436%0.36CS..Hα-helixtrans-61.1-42.1179.700000112.1F116 P164 E165 R172F116-A168 HydrophobicContact CZ-CB 3.95Å; P164-A168 PolarHBondContact O-N 3.45Å; P164-A168 VanDerWaalsContact O-N 3.1Å; E165-A168 PolarHBondContact O-N 3.13Å; A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-N 3.27Å; A168-R172 VanDerWaalsContact O-N 3.11Å
169A86.1Confident85.5Confident50 Ų5074.1 Ų74.141%0.41336%0.363SS..Hα-helixtrans-62.2-46.9175.700000111.9E165 A166 V167 L171 R172 Q173E165-A169 PolarHBondContact O-N 3.11Å; A166-A169 PolarHBondContact O-N 3.25Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.12Å; A169-L171 PolarHBondContact O-N 2.95Å; A169-R172 PolarHBondContact O-N 2.69Å; A169-Q173 PolarHBondContact O-N 3.46Å
170R84.2Confident86.3Confident77 Ų7772.7 Ų72.729%0.29136%0.361SS..Hα-helixtrans-63-40.2178.6-72.717873.5-178.415.8112.9D161 A166 V167 Y174D161-R170 IonicContact OD2-NH1 2.83Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 VanDerWaalsContact O-CG 3.27Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 3.4Å; V167-R170 PolarHBondContact O-N 3.2Å; R170-Y174 WeakPolarHBondContact O-CB 3.43Å; R170-Y174 PolarHBondContact O-N 3.2Å
171L86.8Confident87.1Confident9 Ų966.4 Ų66.45%0.04733%0.332CS..Hα-helixtrans-67.8-38.5178.7-72177.3000112P13 F116 L119 V167 A169 K175P13-L171 HydrophobicContact CB-CD2 3.65Å; F116-L171 HydrophobicContact CD2-CB 3.9Å; F116-L171 HydrophobicContact CD2-CD1 3.5Å; F116-L171 VanDerWaalsContact CD2-CD1 3.5Å; F116-L171 HydrophobicContact CD2-CG 4.32Å; F116-L171 HydrophobicContact CE2-CB 3.6Å; F116-L171 HydrophobicContact CE2-CD1 3.41Å; F116-L171 VanDerWaalsContact CE2-CD1 3.41Å; F116-L171 HydrophobicContact CE2-CG 4.14Å; F116-L171 HydrophobicContact CG-CD1 4.29Å; F116-L171 HydrophobicContact CZ-CD1 4.11Å; L119-L171 HydrophobicContact CB-CD1 3.93Å; L119-L171 HydrophobicContact CB-CD2 4.23Å; L119-L171 HydrophobicContact CD1-CD1 4.42Å; L119-L171 HydrophobicContact CD1-CD2 3.71Å; V167-L171 HydrophobicContact CG1-CD1 3.71Å; V167-L171 HydrophobicContact CG1-CG 4.21Å; V167-L171 WeakPolarHBondContact O-CB 3.38Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 3.2Å; A169-L171 PolarHBondContact O-N 2.95Å; L171-K175 PolarHBondContact O-N 3.08Å; L171-K175 VanDerWaalsContact O-N 3.11Å
172R87.2Confident88Confident154 Ų15464.1 Ų64.158%0.58132%0.319SS*.Hα-helixtrans-63.1-51.9172.5-76.7-173.3-72.3-109.10.9111.5A168 A169 Y174 K175 D176A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-N 3.27Å; A168-R172 VanDerWaalsContact O-N 3.11Å; A169-R172 PolarHBondContact O-N 2.69Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.29Å; R172-K175 WeakPolarHBondContact O-CB 3.46Å; R172-K175 PolarHBondContact O-N 3.3Å; R172-D176 PolarHBondContact O-N 3.05Å
173Q87.3Confident88.8Confident104 Ų10468.8 Ų68.849%0.48634%0.341SS..Hα-helixtrans-56.5-43.3178.1-173.2-174.819.200111.7A169 K175 D176 V177A169-Q173 PolarHBondContact O-N 3.46Å; Q173-K175 VanDerWaalsContact C-N 3.34Å; Q173-K175 PolarHBondContact O-N 3.15Å; Q173-D176 PolarHBondContact O-N 2.95Å; Q173-V177 WeakPolarHBondContact O-CB 3.45Å; Q173-V177 VanDerWaalsContact O-CG2 3.31Å; Q173-V177 WeakPolarHBondContact O-CG2 3.48Å; Q173-V177 PolarHBondContact O-N 3.18Å; Q173-V177 VanDerWaalsContact O-N 3.15Å
174Y89.4Confident89.6Confident52 Ų5265.9 Ų65.920%0.20433%0.329CS..Hα-helixtrans-58.8-46175.9173.5-94.3000111.7G12 P13 R170 R172 D176 V177 A178G12-Y174 VanDerWaalsContact CA-OH 3.22Å; G12-Y174 WeakPolarHBondContact CA-OH 3.35Å; G12-Y174 PolarHBondContact N-OH 3.11Å; G12-Y174 VanDerWaalsContact N-OH 3.16Å; G12-Y174 WeakPolarHBondContact O-CE2 3.45Å; P13-Y174 HydrophobicContact CB-CD1 3.58Å; P13-Y174 HydrophobicContact CB-CE1 3.75Å; P13-Y174 HydrophobicContact CB-CG 4.12Å; P13-Y174 HydrophobicContact CG-CD1 4.41Å; P13-Y174 HydrophobicContact CG-CE1 4.17Å; R170-Y174 WeakPolarHBondContact O-CB 3.43Å; R170-Y174 PolarHBondContact O-N 3.2Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.29Å; Y174-D176 PolarHBondContact O-N 3.1Å; Y174-V177 PolarHBondContact O-N 3.33Å; Y174-A178 HydrophobicContact CD1-CB 4.27Å; Y174-A178 HydrophobicContact CD2-CB 4.21Å; Y174-A178 HydrophobicContact CE1-CB 3.84Å; Y174-A178 HydrophobicContact CE2-CB 3.76Å; Y174-A178 HydrophobicContact CG-CB 4.45Å; Y174-A178 WeakPolarHBondContact O-CB 3.39Å; Y174-A178 PolarHBondContact O-N 2.9Å
175K88.8Confident90.5Very high149 Ų14962.5 Ų62.565%0.64831%0.307SS*.Hα-helixtrans-60.2-45.6-177.4-173.9179.9178.3-177.50111.8L171 R172 Q173 K179L171-K175 PolarHBondContact O-N 3.08Å; L171-K175 VanDerWaalsContact O-N 3.11Å; R172-K175 WeakPolarHBondContact O-CB 3.46Å; R172-K175 PolarHBondContact O-N 3.3Å; Q173-K175 VanDerWaalsContact C-N 3.34Å; Q173-K175 PolarHBondContact O-N 3.15Å; K175-K179 VanDerWaalsContact O-CB 3.26Å; K175-K179 WeakPolarHBondContact O-CB 3.5Å; K175-K179 PolarHBondContact O-N 3.5Å; K175-K179 VanDerWaalsContact O-N 3.1Å
176D90.3Very high91.2Very high119 Ų11962.6 Ų62.664%0.63631%0.306SS*.Hα-helixtrans-66.7-40.5-177.7-63.3-26000111.5R172 Q173 Y174 P180R172-D176 PolarHBondContact O-N 3.05Å; Q173-D176 PolarHBondContact O-N 2.95Å; Y174-D176 PolarHBondContact O-N 3.1Å; D176-P180 WeakPolarHBondContact O-CD 3.48Å
177V91.8Very high91.9Very high58 Ų5865.9 Ų65.935%0.35233%0.327SS..Hα-helixtrans-78.2-37.3-177.9173.40000112.6R92 T93 Q173 Y174 P180R92-V177 WeakPolarHBondContact O-CG1 3.48Å; T93-V177 HydrophobicContact CG2-CG1 3.63Å; Q173-V177 WeakPolarHBondContact O-CB 3.45Å; Q173-V177 VanDerWaalsContact O-CG2 3.31Å; Q173-V177 WeakPolarHBondContact O-CG2 3.48Å; Q173-V177 PolarHBondContact O-N 3.18Å; Q173-V177 VanDerWaalsContact O-N 3.15Å; Y174-V177 PolarHBondContact O-N 3.33Å; V177-P180 WeakPolarHBondContact O-CD 3.32Å
178A92.9Very high92.5Very high5 Ų571.2 Ų71.24%0.04135%0.347CS..Hα-helixtrans-81.4-25.4-176.700000113.2Y174 V181 I182Y174-A178 HydrophobicContact CD1-CB 4.27Å; Y174-A178 HydrophobicContact CD2-CB 4.21Å; Y174-A178 HydrophobicContact CE1-CB 3.84Å; Y174-A178 HydrophobicContact CE2-CB 3.76Å; Y174-A178 HydrophobicContact CG-CB 4.45Å; Y174-A178 WeakPolarHBondContact O-CB 3.39Å; Y174-A178 PolarHBondContact O-N 2.9Å; A178-V181 WeakPolarHBondContact O-CB 3.46Å; A178-V181 PolarHBondContact O-N 3.2Å; A178-V181 VanDerWaalsContact O-N 3.11Å; A178-I182 HydrophobicContact CB-CD1 4.32Å; A178-I182 WeakPolarHBondContact O-CG1 3.36Å; A178-I182 PolarHBondContact O-N 2.88Å
179K94.8Very high93.1Very high119 Ų11973.5 Ų73.552%0.51737%0.372SS..Hα-helixtrans-54.5-49.7-177.4174.8-177.3176.1-171.10112.7K175 V181 I182 E183K175-K179 VanDerWaalsContact O-CB 3.26Å; K175-K179 WeakPolarHBondContact O-CB 3.5Å; K175-K179 PolarHBondContact O-N 3.5Å; K175-K179 VanDerWaalsContact O-N 3.1Å; K179-V181 VanDerWaalsContact C-N 3.29Å; K179-V181 PolarHBondContact O-N 3.17Å; K179-I182 PolarHBondContact O-N 3.31Å; K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 3.25Å; K179-E183 WeakPolarHBondContact O-CG 3.21Å; K179-E183 PolarHBondContact O-N 2.92Å
180P97.1Very high93.6Very high49 Ų4972.5 Ų72.532%0.31836%0.361SS..Hα-helixtrans-59.6-37176.9-2534.8000113.5L94 D176 V177 E183 L184L94-P180 HydrophobicContact CB-CB 4.34Å; D176-P180 WeakPolarHBondContact O-CD 3.48Å; V177-P180 WeakPolarHBondContact O-CD 3.32Å; P180-E183 PolarHBondContact O-N 3Å; P180-L184 WeakPolarHBondContact O-CB 3.22Å; P180-L184 PolarHBondContact O-N 3.01Å
181V97.6Very high94.3Very high1 Ų170.3 Ų70.31%0.00635%0.354CS..Hα-helixtrans-68.3-42.8178.2-179.80000111.1L11 P91 R92 T93 A97 A178 K179 L184 Y185L11-V181 HydrophobicContact CD1-CG1 3.93Å; P91-V181 HydrophobicContact CG-CG1 4.05Å; R92-V181 WeakPolarHBondContact O-CG2 3.48Å; T93-V181 WeakPolarHBondContact O-CG2 3.42Å; A97-V181 HydrophobicContact CB-CG1 4.5Å; A178-V181 WeakPolarHBondContact O-CB 3.46Å; A178-V181 PolarHBondContact O-N 3.2Å; A178-V181 VanDerWaalsContact O-N 3.11Å; K179-V181 VanDerWaalsContact C-N 3.29Å; K179-V181 PolarHBondContact O-N 3.17Å; V181-L184 PolarHBondContact O-N 3.09Å; V181-Y185 HydrophobicContact CG1-CD2 3.77Å; V181-Y185 HydrophobicContact CG1-CE2 3.54Å; V181-Y185 VanDerWaalsContact O-CD2 3.24Å; V181-Y185 WeakPolarHBondContact O-CD2 3.32Å; V181-Y185 PolarHBondContact O-N 2.91Å; V181-Y185 VanDerWaalsContact O-N 3.11Å
182I96.6Very high94.8Very high33 Ų3372.9 Ų72.917%0.16937%0.366CS..Hα-helixtrans-62.7-45.4176.1-68.6170.8000110L11 A178 K179 L184 Y185 K186 L191L11-I182 HydrophobicContact CD1-CG1 4.41Å; A178-I182 HydrophobicContact CB-CD1 4.32Å; A178-I182 WeakPolarHBondContact O-CG1 3.36Å; A178-I182 PolarHBondContact O-N 2.88Å; K179-I182 PolarHBondContact O-N 3.31Å; I182-L184 PolarHBondContact O-N 3.46Å; I182-Y185 PolarHBondContact O-N 2.82Å; I182-K186 VanDerWaalsContact O-CB 3.25Å; I182-K186 WeakPolarHBondContact O-CB 3.47Å; I182-K186 PolarHBondContact O-N 3.44Å; I182-L191 HydrophobicContact CG2-CD2 3.7Å
183E97.6Very high95.1Very high105 Ų10570 Ų7049%0.49136%0.359SS..Hα-helixtrans-62.9-40.3178.2-73.5174.1168.200112.3K179 P180 K186 S187K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 3.25Å; K179-E183 WeakPolarHBondContact O-CG 3.21Å; K179-E183 PolarHBondContact O-N 2.92Å; P180-E183 PolarHBondContact O-N 3Å; E183-K186 PolarHBondContact O-N 2.85Å; E183-S187 PolarHBondContact O-N 2.9Å
184L98.1Very high95.3Very high34 Ų3466.3 Ų66.318%0.17834%0.342CS..Hα-helixtrans-58.5-52174.3178.167.1000112.1L94 A97 P180 V181 I182 K186 S187 R188L94-L184 HydrophobicContact CD1-CB 4.39Å; L94-L184 HydrophobicContact CD1-CD2 3.88Å; A97-L184 HydrophobicContact CB-CD2 3.79Å; P180-L184 WeakPolarHBondContact O-CB 3.22Å; P180-L184 PolarHBondContact O-N 3.01Å; V181-L184 PolarHBondContact O-N 3.09Å; I182-L184 PolarHBondContact O-N 3.46Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.39Å; L184-S187 PolarHBondContact O-N 3.38Å; L184-S187 PolarHBondContact O-OG 3.31Å; L184-R188 WeakPolarHBondContact O-CG 3.37Å; L184-R188 PolarHBondContact O-N 2.94Å
185Y98.1Very high95.2Very high0 Ų067.4 Ų67.40%036%0.357CS..Hα-helixtrans-72.6-25.4-178.8-68.9-55.8000112.8L11 P91 V106 V109 V181 I182 G189 V190 L191L11-Y185 HydrophobicContact CD1-CD2 4.41Å; P91-Y185 HydrophobicContact CG-CE2 3.92Å; P91-Y185 WeakPolarHBondContact CG-OH 3.35Å; V106-Y185 HydrophobicContact CB-CE1 4.04Å; V106-Y185 HydrophobicContact CG1-CE1 4.2Å; V106-Y185 HydrophobicContact CG2-CE1 4.17Å; V109-Y185 HydrophobicContact CB-CD2 4.37Å; V109-Y185 HydrophobicContact CB-CG 4.21Å; V109-Y185 HydrophobicContact CG1-CD2 3.93Å; V109-Y185 HydrophobicContact CG1-CG 4.24Å; V109-Y185 HydrophobicContact CG2-CD1 3.67Å; V109-Y185 HydrophobicContact CG2-CD2 3.84Å; V109-Y185 HydrophobicContact CG2-CE1 4.09Å; V109-Y185 HydrophobicContact CG2-CE2 4.2Å; V109-Y185 HydrophobicContact CG2-CG 3.56Å; V181-Y185 HydrophobicContact CG1-CD2 3.77Å; V181-Y185 HydrophobicContact CG1-CE2 3.54Å; V181-Y185 VanDerWaalsContact O-CD2 3.24Å; V181-Y185 WeakPolarHBondContact O-CD2 3.32Å; V181-Y185 PolarHBondContact O-N 2.91Å; V181-Y185 VanDerWaalsContact O-N 3.11Å; I182-Y185 PolarHBondContact O-N 2.82Å; Y185-G189 PolarHBondContact O-N 3.2Å; Y185-V190 HydrophobicContact CD1-CG2 3.91Å; Y185-V190 HydrophobicContact CG-CG2 4.46Å; Y185-V190 PolarHBondContact O-N 2.81Å; Y185-L191 PolarHBondContact O-N 3.45Å
186K97.7Very high94.9Very high148 Ų14861.4 Ų61.464%0.64334%0.338SS*.Hα-helixtrans-65.6-46.8171.3-171.2177.1179.8179.90111.7I182 E183 L184 R188 G189 L191I182-K186 VanDerWaalsContact O-CB 3.25Å; I182-K186 WeakPolarHBondContact O-CB 3.47Å; I182-K186 PolarHBondContact O-N 3.44Å; E183-K186 PolarHBondContact O-N 2.85Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.39Å; K186-R188 PolarHBondContact O-N 3.4Å; K186-G189 PolarHBondContact O-N 2.91Å; K186-L191 HydrophobicContact CB-CB 4.44Å; K186-L191 HydrophobicContact CB-CD2 3.78Å; K186-L191 HydrophobicContact CG-CD2 4.34Å
187S97.8Very high94.4Very high99 Ų9958.9 Ų58.969%0.69233%0.327SS*.Hα-helixtrans-65.7-25.9-179.868.90000112.8E183 L184 G189E183-S187 PolarHBondContact O-N 2.9Å; L184-S187 PolarHBondContact O-N 3.38Å; L184-S187 PolarHBondContact O-OG 3.31Å; S187-G189 VanDerWaalsContact C-N 3.33Å
188R97.1Very high93.6Very high114 Ų11460.3 Ų60.343%0.4333%0.329SS..THydrogen-bonded Turntrans-80.3-7.6173.6-66.8179.5-175.9-176.53.6114.6D101 L184 K186 V190D101-R188 IonicContact OD1-CZ 2.94Å; D101-R188 IonicContact OD1-NH1 2.65Å; D101-R188 PolarHBondContact OD1-NH1 2.87Å; D101-R188 IonicContact OD1-NH2 3.24Å; D101-R188 IonicContact OD2-CZ 2.74Å; D101-R188 VanDerWaalsContact OD2-CZ 3.24Å; D101-R188 IonicContact OD2-NH1 3.77Å; D101-R188 PolarHBondContact OD2-NH1 2.9Å; D101-R188 IonicContact OD2-NH2 3.9Å; D101-R188 PolarHBondContact OD2-NH2 3.37Å; L184-R188 WeakPolarHBondContact O-CG 3.37Å; L184-R188 PolarHBondContact O-N 2.94Å; K186-R188 PolarHBondContact O-N 3.4Å; R188-V190 HydrophobicContact CB-CG2 4.1Å; R188-V190 PolarHBondContact O-N 3.38Å
189G97.6Very high92.7Very high65 Ų6560.4 Ų60.467%0.6733%0.33SS*.THydrogen-bonded Turntrans70.315.8179.700000115Y185 K186 S187Y185-G189 PolarHBondContact O-N 3.2Å; K186-G189 PolarHBondContact O-N 2.91Å; S187-G189 VanDerWaalsContact C-N 3.33Å
190V97.7Very high91.8Very high29 Ų2959.1 Ų59.118%0.17633%0.328CS..  trans-103-4.5179.2-61.30000113.1V109 Y185 R188V109-V190 HydrophobicContact CG2-CG2 4.08Å; V109-V190 PolarHBondContact N-O 3.44Å; Y185-V190 HydrophobicContact CD1-CG2 3.91Å; Y185-V190 HydrophobicContact CG-CG2 4.46Å; Y185-V190 PolarHBondContact O-N 2.81Å; R188-V190 HydrophobicContact CB-CG2 4.1Å; R188-V190 PolarHBondContact O-N 3.38Å
191L98.1Very high91.1Very high30 Ų3062.7 Ų62.716%0.15734%0.339CS..EExtended strand (participates in β ladder)trans-85.2125.3179.7-178.272.8000112.4V109 I182 Y185 K186V109-L191 HydrophobicContact CB-CD1 4.07Å; V109-L191 HydrophobicContact CG1-CD1 3.7Å; V109-L191 CarbonylContact O-C 3.4Å; V109-L191 WeakPolarHBondContact O-CA 3.48Å; I182-L191 HydrophobicContact CG2-CD2 3.7Å; Y185-L191 PolarHBondContact O-N 3.45Å; K186-L191 HydrophobicContact CB-CB 4.44Å; K186-L191 HydrophobicContact CB-CD2 3.78Å; K186-L191 HydrophobicContact CG-CD2 4.34Å
192H97.1Very high90.5Very high63 Ų6362.6 Ų62.629%0.29234%0.338SS..EExtended strand (participates in β ladder)trans-110.9118.2166.8-67.2-94.6000109.3L108 V109 I110 S111 Y205 L209L108-H192 WeakPolarHBondContact CD1-CD2 3.44Å; V109-H192 PolarHBondContact O-N 2.89Å; I110-H192 CarbonylContact C-O 3.56Å; I110-H192 VanDerWaalsContact CA-O 3.27Å; I110-H192 WeakPolarHBondContact CA-O 3.26Å; I110-H192 HydrophobicContact CG1-CB 4.47Å; S111-H192 PolarHBondContact N-O 2.92Å; H192-Y205 HydrophobicContact CB-CE1 4.48Å; H192-L209 HydrophobicContact CB-CD1 3.72Å
193Q94.4Very high90.1Very high94 Ų9462.6 Ų62.644%0.43934%0.336SS..EExtended strand (participates in β ladder)trans-103.5123.3179.3-167.8168.641.400110.2S111 N113S111-Q193 WeakPolarHBondContact O-CA 3.44Å; N113-Q193 HydrophobicContact CB-CG 3.89Å
194F90.9Very high89.8Confident26 Ų2661 Ų6111%0.11434%0.335CS..EExtended strand (participates in β ladder)trans-98.1128.4169.6-177.7-82.1000109.1S111 L112 N113 K201 I202 Y205S111-F194 PolarHBondContact O-N 3.23Å; L112-F194 HydrophobicContact CD2-CB 4.31Å; N113-F194 WeakPolarHBondContact CA-O 3.4Å; N113-F194 WeakPolarHBondContact CB-O 3.33Å; N113-F194 PolarHBondContact N-O 3.12Å; F194-K201 WeakPolarHBondContact CE2-O 3.48Å; F194-K201 HydrophobicContact CZ-CB 4.3Å; F194-I202 HydrophobicContact CD1-CB 4.31Å; F194-I202 HydrophobicContact CD1-CD1 4.28Å; F194-I202 HydrophobicContact CD1-CG1 3.49Å; F194-I202 VanDerWaalsContact CD1-CG1 3.49Å; F194-I202 HydrophobicContact CD1-CG2 4.45Å; F194-I202 HydrophobicContact CE1-CB 4.14Å; F194-I202 HydrophobicContact CE1-CD1 4.22Å; F194-I202 HydrophobicContact CE1-CG1 3.22Å; F194-I202 HydrophobicContact CE2-CG1 4.42Å; F194-I202 HydrophobicContact CG-CG1 4.2Å; F194-I202 HydrophobicContact CG-CG2 4.41Å; F194-I202 HydrophobicContact CZ-CB 4.24Å; F194-I202 HydrophobicContact CZ-CG1 3.73Å; F194-Y205 HydrophobicContact CB-CD1 4.3Å; F194-Y205 HydrophobicContact CB-CE1 4.38Å; F194-Y205 AromaticContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CE1 4.49Å; F194-Y205 AromaticContact CD2-CG 3.98Å; F194-Y205 HydrophobicContact CD2-CG 3.98Å
195S88.5Confident89.4Confident76 Ų7663.4 Ų63.453%0.53134%0.342SS..EExtended strand (participates in β ladder)trans-116.3125.4171.8-59.10000109.8N113N113-S195 PolarHBondContact ND2-OG 2.78Å; N113-S195 VanDerWaalsContact ND2-OG 3.15Å; N113-S195 WeakPolarHBondContact O-CA 3.43Å
196G81.8Confident89.1Confident23 Ų2363.4 Ų63.424%0.23734%0.342CS..  trans173.7-179.6178.800000112.5I114 P115I114-G196 WeakPolarHBondContact CD1-O 3.19Å; P115-G196 WeakPolarHBondContact CD-O 3.4Å
197T80.2Confident88.9Confident66 Ų6659 Ų5941%0.40532%0.322SS..SBendtrans-115.5-10.9-172.951.70000113.8P115 R122P115-T197 HydrophobicContact CG-CG2 3.95Å; R122-T197 PolarHBondContact NH2-O 3.04Å
198E75.1Confident88.7Confident87 Ų8757.8 Ų57.841%0.40731%0.311SS..  trans-124.6122.9-172.7-69.4168.2-125.300111.3N200 K201 I202E198-N200 PolarHBondContact O-N 2.88Å; E198-K201 HydrophobicContact CB-CB 4.41Å; E198-K201 HydrophobicContact CB-CD 4.23Å; E198-K201 HydrophobicContact CB-CG 4.22Å; E198-K201 VanDerWaalsContact CD-NZ 3.34Å; E198-K201 PolarHBondContact O-N 2.72Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.63Å; E198-K201 WeakPolarHBondContact OE2-CE 3.39Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 3.15Å; E198-I202 PolarHBondContact O-N 3.07Å
199T72.8Confident88.5Confident8 Ų853.5 Ų53.55%0.04930%0.296CS..Hα-helixtrans-61.8-30.4179.7-51.40000112.8T20 V21 F140 K201 I202 W203T20-T199 HydrophobicContact CG2-CG2 4.31Å; V21-T199 HydrophobicContact CG2-CG2 4.16Å; F140-T199 HydrophobicContact CZ-CG2 4.2Å; T199-K201 PolarHBondContact O-N 2.82Å; T199-I202 HydrophobicContact CG2-CD1 4.46Å; T199-I202 VanDerWaalsContact O-CB 3.3Å; T199-I202 WeakPolarHBondContact O-CB 3.38Å; T199-I202 PolarHBondContact O-N 3.34Å; T199-I202 VanDerWaalsContact O-N 3.09Å; T199-W203 PolarHBondContact O-N 3.46Å
200N76.2Confident88.4Confident92 Ų9250.4 Ų50.449%0.49226%0.264SS..Hα-helixtrans-69.2-21.1176.8-68.9-23.6000113.1R24 E198 P204R24-N200 PolarHBondContact NH1-OD1 3.25Å; R24-N200 PolarHBondContact NH2-OD1 2.96Å; E198-N200 PolarHBondContact O-N 2.88Å; N200-P204 WeakPolarHBondContact O-CD 3.37Å
201K83.1Confident88.2Confident123 Ų12351 Ų5154%0.53527%0.27SS..Hα-helixtrans-86.6-25.5169.9-65178.2179.8159.40112.2F194 E198 T199F194-K201 WeakPolarHBondContact CE2-O 3.48Å; F194-K201 HydrophobicContact CZ-CB 4.3Å; E198-K201 HydrophobicContact CB-CB 4.41Å; E198-K201 HydrophobicContact CB-CD 4.23Å; E198-K201 HydrophobicContact CB-CG 4.22Å; E198-K201 VanDerWaalsContact CD-NZ 3.34Å; E198-K201 PolarHBondContact O-N 2.72Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.63Å; E198-K201 WeakPolarHBondContact OE2-CE 3.39Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 3.15Å; T199-K201 PolarHBondContact O-N 2.82Å
202I84Confident88Confident0 Ų055.5 Ų55.50%029%0.294CS..Hα-helixtrans-63.7-44.7171.4-59.8172.3000110.2V21 L112 I114 F194 E198 T199 Y205 V206V21-I202 HydrophobicContact CG2-CG2 3.91Å; L112-I202 HydrophobicContact CD1-CD1 4.49Å; L112-I202 HydrophobicContact CD2-CD1 4.36Å; L112-I202 HydrophobicContact CD2-CG2 3.61Å; I114-I202 HydrophobicContact CD1-CD1 3.79Å; F194-I202 HydrophobicContact CD1-CB 4.31Å; F194-I202 HydrophobicContact CD1-CD1 4.28Å; F194-I202 HydrophobicContact CD1-CG1 3.49Å; F194-I202 VanDerWaalsContact CD1-CG1 3.49Å; F194-I202 HydrophobicContact CD1-CG2 4.45Å; F194-I202 HydrophobicContact CE1-CB 4.14Å; F194-I202 HydrophobicContact CE1-CD1 4.22Å; F194-I202 HydrophobicContact CE1-CG1 3.22Å; F194-I202 HydrophobicContact CE2-CG1 4.42Å; F194-I202 HydrophobicContact CG-CG1 4.2Å; F194-I202 HydrophobicContact CG-CG2 4.41Å; F194-I202 HydrophobicContact CZ-CB 4.24Å; F194-I202 HydrophobicContact CZ-CG1 3.73Å; E198-I202 PolarHBondContact O-N 3.07Å; T199-I202 HydrophobicContact CG2-CD1 4.46Å; T199-I202 VanDerWaalsContact O-CB 3.3Å; T199-I202 WeakPolarHBondContact O-CB 3.38Å; T199-I202 PolarHBondContact O-N 3.34Å; T199-I202 VanDerWaalsContact O-N 3.09Å; I202-Y205 PolarHBondContact O-N 3.38Å; I202-V206 HydrophobicContact CG2-CG2 3.71Å; I202-V206 WeakPolarHBondContact O-CG2 3.42Å; I202-V206 PolarHBondContact O-N 2.85Å
203W88.8Confident87.7Confident32 Ų3258 Ų5812%0.12130%0.304CS..Hα-helixtrans-60.6-50.3-167.5172.7-113.7000114.7R24 I25 N28 T199 Y205 V206 Y207R24-W203 VanDerWaalsContact C-CH2 3.47Å; R24-W203 HydrophobicContact CB-CD2 4.12Å; R24-W203 HydrophobicContact CB-CE3 3.66Å; R24-W203 HydrophobicContact CB-CH2 3.53Å; R24-W203 HydrophobicContact CB-CZ2 3.98Å; R24-W203 HydrophobicContact CB-CZ3 3.35Å; R24-W203 HydrophobicContact CG-CE3 4.45Å; R24-W203 WeakPolarHBondContact O-CH2 3.31Å; I25-W203 HydrophobicContact CG1-CZ3 3.9Å; N28-W203 HydrophobicContact CB-CH2 4.22Å; N28-W203 HydrophobicContact CB-CZ2 4.3Å; N28-W203 WeakPolarHBondContact ND2-CZ2 3.43Å; T199-W203 PolarHBondContact O-N 3.46Å; W203-Y205 VanDerWaalsContact C-N 3.28Å; W203-Y205 PolarHBondContact O-N 2.84Å; W203-V206 HydrophobicContact CZ3-CG1 4.48Å; W203-V206 PolarHBondContact O-N 3.19Å; W203-V206 VanDerWaalsContact O-N 3.14Å; W203-Y207 HydrophobicContact CH2-CD2 4.05Å; W203-Y207 AromaticContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CG 4.33Å; W203-Y207 WeakPolarHBondContact O-CB 3.38Å; W203-Y207 PolarHBondContact O-N 3.43Å
204P90.1Very high87.7Confident71 Ų7154.5 Ų54.546%0.46129%0.288SS..Hα-helixtrans-57.2-41179-26.734.8000112.8N200 Y207 T208N200-P204 WeakPolarHBondContact O-CD 3.37Å; P204-Y207 PolarHBondContact O-N 3.47Å; P204-T208 PolarHBondContact O-N 3.24Å; P204-T208 PolarHBondContact O-OG1 2.98Å; P204-T208 VanDerWaalsContact O-OG1 3.1Å
205Y90.2Very high87.7Confident85 Ų8559.4 Ų59.433%0.33332%0.32SS..Hα-helixtrans-61.6-48.3176.4176.3-98.3000111.9H192 F194 I202 W203 T208 L209H192-Y205 HydrophobicContact CB-CE1 4.48Å; F194-Y205 HydrophobicContact CB-CD1 4.3Å; F194-Y205 HydrophobicContact CB-CE1 4.38Å; F194-Y205 AromaticContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CE1 4.49Å; F194-Y205 AromaticContact CD2-CG 3.98Å; F194-Y205 HydrophobicContact CD2-CG 3.98Å; I202-Y205 PolarHBondContact O-N 3.38Å; W203-Y205 VanDerWaalsContact C-N 3.28Å; W203-Y205 PolarHBondContact O-N 2.84Å; Y205-T208 PolarHBondContact O-N 3.05Å; Y205-L209 HydrophobicContact CD1-CD1 4.01Å; Y205-L209 HydrophobicContact CE1-CD1 3.4Å; Y205-L209 HydrophobicContact CE1-CG 4.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.47Å; Y205-L209 PolarHBondContact O-N 3.48Å; Y205-L209 VanDerWaalsContact O-N 3.16Å
206V92.3Very high87.9Confident0 Ų057.4 Ų57.40%031%0.305CS..Hα-helixtrans-63.5-43.2178.1173.70000111V21 I25 I110 I202 W203 T208 L209 F210V21-V206 HydrophobicContact CG1-CB 4.3Å; V21-V206 HydrophobicContact CG1-CG1 3.76Å; V21-V206 HydrophobicContact CG1-CG2 4.07Å; I25-V206 HydrophobicContact CD1-CG1 3.75Å; I25-V206 HydrophobicContact CG1-CG1 3.93Å; I110-V206 HydrophobicContact CD1-CB 4.49Å; I110-V206 HydrophobicContact CD1-CG1 3.95Å; I110-V206 HydrophobicContact CD1-CG2 4.2Å; I110-V206 HydrophobicContact CG2-CG2 4.32Å; I202-V206 HydrophobicContact CG2-CG2 3.71Å; I202-V206 WeakPolarHBondContact O-CG2 3.42Å; I202-V206 PolarHBondContact O-N 2.85Å; W203-V206 HydrophobicContact CZ3-CG1 4.48Å; W203-V206 PolarHBondContact O-N 3.19Å; W203-V206 VanDerWaalsContact O-N 3.14Å; V206-T208 PolarHBondContact O-N 3.02Å; V206-L209 PolarHBondContact O-N 3.2Å; V206-F210 HydrophobicContact CG1-CD2 3.85Å; V206-F210 HydrophobicContact CG1-CE2 3.98Å; V206-F210 WeakPolarHBondContact O-CD2 3.46Å; V206-F210 PolarHBondContact O-N 3.32Å
207Y93.3Very high88.2Confident55 Ų5560.6 Ų60.622%0.21632%0.316CS..Hα-helixtrans-57.3-48.2178.1-179.1-91.4000111.4N28 F29 W203 P204 L209 F210 S211 P216N28-Y207 HydrophobicContact CB-CE2 4.31Å; F29-Y207 AromaticContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CE2 4.06Å; F29-Y207 AromaticContact CZ-CD2 3.81Å; F29-Y207 HydrophobicContact CZ-CD2 3.81Å; F29-Y207 AromaticContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CG 4.41Å; W203-Y207 HydrophobicContact CH2-CD2 4.05Å; W203-Y207 AromaticContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CG 4.33Å; W203-Y207 WeakPolarHBondContact O-CB 3.38Å; W203-Y207 PolarHBondContact O-N 3.43Å; P204-Y207 PolarHBondContact O-N 3.47Å; Y207-L209 VanDerWaalsContact C-N 3.33Å; Y207-L209 PolarHBondContact O-N 3.13Å; Y207-F210 PolarHBondContact O-N 3.14Å; Y207-S211 PolarHBondContact O-N 3.19Å; Y207-S211 PolarHBondContact O-OG 2.85Å; Y207-P216 WeakPolarHBondContact OH-CG 3.26Å
208T93.5Very high87.5Confident75 Ų7567 Ų6746%0.4634%0.342SS..Hα-helixtrans-60.9-39.2177.2-57.70000112.7P204 Y205 V206 F210 S211 N212P204-T208 PolarHBondContact O-N 3.24Å; P204-T208 PolarHBondContact O-OG1 2.98Å; P204-T208 VanDerWaalsContact O-OG1 3.1Å; Y205-T208 PolarHBondContact O-N 3.05Å; V206-T208 PolarHBondContact O-N 3.02Å; T208-F210 PolarHBondContact O-N 3.07Å; T208-S211 WeakPolarHBondContact CA-OG 3.38Å; T208-S211 PolarHBondContact O-N 3.28Å; T208-S211 PolarHBondContact O-OG 3.4Å; T208-N212 PolarHBondContact O-N 3.44Å; T208-N212 PolarHBondContact O-ND2 2.91Å
209L93.9Very high86.4Confident24 Ų2465.2 Ų65.213%0.12634%0.338CS..Hα-helixtrans-62.8-42.1176.1-72.3178.6000112.1I110 H192 Y205 V206 Y207I110-L209 HydrophobicContact CD1-CD1 3.92Å; I110-L209 HydrophobicContact CG1-CD1 4.22Å; H192-L209 HydrophobicContact CB-CD1 3.72Å; Y205-L209 HydrophobicContact CD1-CD1 4.01Å; Y205-L209 HydrophobicContact CE1-CD1 3.4Å; Y205-L209 HydrophobicContact CE1-CG 4.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.47Å; Y205-L209 PolarHBondContact O-N 3.48Å; Y205-L209 VanDerWaalsContact O-N 3.16Å; V206-L209 PolarHBondContact O-N 3.2Å; Y207-L209 VanDerWaalsContact C-N 3.33Å; Y207-L209 PolarHBondContact O-N 3.13Å
210F94.6Very high85.4Confident0 Ų075.1 Ų75.10%038%0.381CS..Hα-helixtrans-72.3-39178.3-86.9-95.7000112.5L6 A8 I10 I25 F29 L31 L86 L108 I110 V206 Y207 T208 N212 K213 I214L6-F210 HydrophobicContact CD2-CD1 3.99Å; L6-F210 HydrophobicContact CD2-CE1 3.79Å; A8-F210 HydrophobicContact CB-CE1 3.97Å; A8-F210 HydrophobicContact CB-CZ 3.78Å; I10-F210 HydrophobicContact CD1-CE2 4.24Å; I10-F210 HydrophobicContact CD1-CZ 4.36Å; I25-F210 HydrophobicContact CD1-CD2 4.06Å; I25-F210 HydrophobicContact CD1-CE1 4.41Å; I25-F210 HydrophobicContact CD1-CE2 3.41Å; I25-F210 VanDerWaalsContact CD1-CE2 3.41Å; I25-F210 HydrophobicContact CD1-CZ 3.63Å; I25-F210 HydrophobicContact CG1-CD2 4.2Å; I25-F210 HydrophobicContact CG1-CE2 4.03Å; I25-F210 HydrophobicContact CG1-CZ 4.3Å; I25-F210 HydrophobicContact CG2-CD1 3.69Å; I25-F210 HydrophobicContact CG2-CD2 4.44Å; I25-F210 HydrophobicContact CG2-CE1 3.54Å; I25-F210 HydrophobicContact CG2-CE2 4.31Å; I25-F210 HydrophobicContact CG2-CG 4.16Å; I25-F210 HydrophobicContact CG2-CZ 3.88Å; F29-F210 HydrophobicContact CD1-CB 4.31Å; F29-F210 HydrophobicContact CD2-CB 4.07Å; F29-F210 HydrophobicContact CE1-CB 3.78Å; F29-F210 HydrophobicContact CE2-CB 3.54Å; F29-F210 HydrophobicContact CE2-CG 4.33Å; F29-F210 HydrophobicContact CG-CB 4.44Å; F29-F210 HydrophobicContact CZ-CB 3.37Å; L31-F210 HydrophobicContact CD1-CD1 4.17Å; L31-F210 HydrophobicContact CD1-CE1 3.79Å; L86-F210 HydrophobicContact CD1-CE1 4.26Å; L86-F210 HydrophobicContact CD1-CZ 3.77Å; L108-F210 HydrophobicContact CD2-CD2 4.26Å; L108-F210 HydrophobicContact CD2-CE2 3.95Å; L108-F210 HydrophobicContact CD2-CZ 4.08Å; I110-F210 HydrophobicContact CD1-CD2 4.26Å; I110-F210 HydrophobicContact CD1-CE2 3.69Å; V206-F210 HydrophobicContact CG1-CD2 3.85Å; V206-F210 HydrophobicContact CG1-CE2 3.98Å; V206-F210 WeakPolarHBondContact O-CD2 3.46Å; V206-F210 PolarHBondContact O-N 3.32Å; Y207-F210 PolarHBondContact O-N 3.14Å; T208-F210 PolarHBondContact O-N 3.07Å; F210-N212 PolarHBondContact O-N 3.5Å; F210-K213 PolarHBondContact O-N 3.31Å; F210-I214 HydrophobicContact CD1-CD1 4.04Å; F210-I214 HydrophobicContact CD1-CG1 4.38Å; F210-I214 WeakPolarHBondContact O-CG1 3.4Å; F210-I214 PolarHBondContact O-N 3.18Å
211S93.8Very high84.1Confident42 Ų4277.7 Ų77.729%0.29439%0.39SS..Hα-helixtrans-62.9-25.5178.365.70000113.3Y207 T208 K213Y207-S211 PolarHBondContact O-N 3.19Å; Y207-S211 PolarHBondContact O-OG 2.85Å; T208-S211 WeakPolarHBondContact CA-OG 3.38Å; T208-S211 PolarHBondContact O-N 3.28Å; T208-S211 PolarHBondContact O-OG 3.4Å; S211-K213 VanDerWaalsContact C-N 3.26Å; S211-K213 PolarHBondContact O-N 3.25Å
212N92.9Very high82.5Confident124 Ų12473.4 Ų73.466%0.66338%0.377SS*.THydrogen-bonded Turntrans-75.6-13.2173.7-67.7-19.8000113.4T208 F210T208-N212 PolarHBondContact O-N 3.44Å; T208-N212 PolarHBondContact O-ND2 2.91Å; F210-N212 PolarHBondContact O-N 3.5Å
213K92.4Very high80.8Confident116 Ų11687.2 Ų87.250%0.50443%0.431SS..THydrogen-bonded Turntrans-112.5-37.4-175-64.4-70.2-172172.50112.7L6 F210 S211L6-K213 HydrophobicContact CD1-CB 4.16Å; L6-K213 HydrophobicContact CD1-CG 4.38Å; F210-K213 PolarHBondContact O-N 3.31Å; S211-K213 VanDerWaalsContact C-N 3.26Å; S211-K213 PolarHBondContact O-N 3.25Å
214I92.8Very high80.4Confident20 Ų2090 Ų9010%0.10345%0.447CS..SBendtrans-142.1145.6-177.853.3171.5000110.1L6 F29 L31 F210 P216L6-I214 HydrophobicContact CB-CG2 4.17Å; L6-I214 HydrophobicContact CD2-CD1 3.9Å; L6-I214 HydrophobicContact CD2-CG1 4.26Å; L6-I214 HydrophobicContact CD2-CG2 4.1Å; F29-I214 HydrophobicContact CB-CD1 3.58Å; F29-I214 HydrophobicContact CB-CG1 4.4Å; F29-I214 HydrophobicContact CD1-CD1 3.75Å; F29-I214 HydrophobicContact CD1-CG1 3.61Å; F29-I214 HydrophobicContact CE1-CG1 4.2Å; F29-I214 HydrophobicContact CG-CD1 3.87Å; F29-I214 HydrophobicContact CG-CG1 4.24Å; L31-I214 HydrophobicContact CD1-CD1 3.68Å; L31-I214 HydrophobicContact CD2-CD1 3.83Å; L31-I214 HydrophobicContact CG-CD1 3.88Å; F210-I214 HydrophobicContact CD1-CD1 4.04Å; F210-I214 HydrophobicContact CD1-CG1 4.38Å; F210-I214 WeakPolarHBondContact O-CG1 3.4Å; F210-I214 PolarHBondContact O-N 3.18Å; I214-P216 WeakPolarHBondContact O-CD 3.44Å
215T91.8Very high79.8Confident128 Ų12890.9 Ų90.979%0.78545%0.446SS*.PPolyproline II helixtrans-69.1125.9178.9-49.40000109.8
216P91.5Very high79.3Confident34 Ų3491.3 Ų91.322%0.22145%0.452CS..PPolyproline II helixtrans-58.1145.7170.8-17.326.9000111N28 F29 Y207 I214 Q218N28-P216 CarbonylContact O-C 3.52Å; N28-P216 WeakPolarHBondContact O-CA 2.97Å; F29-P216 HydrophobicContact CD1-CB 4.22Å; F29-P216 HydrophobicContact CD1-CG 4.3Å; F29-P216 HydrophobicContact CE1-CB 3.95Å; F29-P216 HydrophobicContact CE1-CG 3.62Å; F29-P216 HydrophobicContact CZ-CG 4.21Å; Y207-P216 WeakPolarHBondContact OH-CG 3.26Å; I214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-Q218 PolarHBondContact O-N 2.86Å
217I89.7Confident78.5Confident90 Ų9096.6 Ų96.646%0.46248%0.479SS..PPolyproline II helixtrans-64.2126.9162.8-58.2178.4000105.9N28 S219N28-I217 PolarHBondContact O-N 3.48Å; I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.29Å
218Q64.8Low77.6Confident202 Ų20299.3 Ų99.394%0.94450%0.495SS*.  trans-60.296.5171.6-76.4-177.3-7.400108.9P216P216-Q218 PolarHBondContact O-N 2.86Å
219S52.8Low76.5Confident48 Ų48100.9 Ų100.934%0.33650%0.498SS..  trans-122.2141174172.40000108.9I217 E221I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.29Å; S219-E221 PolarHBondContact O-N 3.13Å
220K51.2Low75.3Confident216 Ų216106.4 Ų106.494%0.93952%0.524SS*.THydrogen-bonded Turntrans-65.12.4-178.2-77178171.91780114.5
221E49.6Very low73.8Confident147 Ų147114.5 Ų114.569%0.68757%0.565SS**THydrogen-bonded Turntrans-112.415.3-167.2-64.3169.7171.200113.7S219 Y223S219-E221 PolarHBondContact O-N 3.13Å; E221-Y223 PolarHBondContact O-N 3.29Å
222A48Very low72.1Confident32 Ų32120.6 Ų120.626%0.26459%0.587SS.*  trans-72.69.8-178.200000115.2
223Y48.1Very low70.2Confident290 Ų290120.3 Ų120.3100%1.13758%0.58SS**  trans-134.60-177.4-57.5-77000111.5E221E221-Y223 PolarHBondContact O-N 3.29Å

Retrieved 223 of 223 residues in 93.8 ms (Link to these results)