A0A077Z623_TRITR Loading...

Ly 6 protein HOT 2

AlphaFold DB , UniProt , Accession A0A077Z623, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M34.3Very low37.1Very low237 Ų237145.9 Ų145.9100%1.16779%0.787SS**  0104.30-72158178.400107.4
2N32.9Very low40Very low163 Ų163146.6 Ų146.687%0.87279%0.79SS**  trans174.5101.7157.9-89.5-12.3000107.2
3Y30.1Very low43.7Very low229 Ų229145.6 Ų145.690%0.89877%0.774SS**  trans-80.9112.1172-98-98.1000108.3
4T35.7Very low47.1Very low135 Ų135136.1 Ų136.183%0.82872%0.723SS**  trans-101.2101.5160.546.70000108G6T4-G6 PolarHBondContact O-N 3.02Å; T4-G6 VanDerWaalsContact O-N 3.08Å
5V35.9Very low50.2Low122 Ų122128.9 Ų128.974%0.73969%0.688SS**  trans-73.992.2169.31790000107.4V7V5-V7 HydrophobicContact CG1-CG2 4.07Å; V5-V7 PolarHBondContact O-N 2.89Å
6G32.8Very low53Low68 Ų68120.8 Ų120.870%0.70165%0.645SS**  trans-82.197168.600000109.2T4 N8T4-G6 PolarHBondContact O-N 3.02Å; T4-G6 VanDerWaalsContact O-N 3.08Å; G6-N8 VanDerWaalsContact C-N 3.33Å; G6-N8 PolarHBondContact O-N 3.26Å
7V39.5Very low55.4Low114 Ų114115.5 Ų115.569%0.69161%0.614SS**  trans-70.693.9170.1-167.30000107.2V5 V9V5-V7 HydrophobicContact CG1-CG2 4.07Å; V5-V7 PolarHBondContact O-N 2.89Å; V7-V9 HydrophobicContact CG1-CG2 3.91Å; V7-V9 PolarHBondContact O-N 3.15Å
8N33.1Very low57.6Low138 Ų138109.8 Ų109.874%0.73859%0.585SS**  trans-66.890.2163.5-92.7-30.9000107.5G6 F10G6-N8 VanDerWaalsContact C-N 3.33Å; G6-N8 PolarHBondContact O-N 3.26Å; N8-F10 HydrophobicContact CB-CD2 4.17Å; N8-F10 HydrophobicContact CB-CE2 4.3Å; N8-F10 PolarHBondContact O-N 3.28Å
9V38.7Very low59.6Low103 Ų103104 Ų10462%0.62455%0.554SS**  trans-7182.7165.1-174.60000106.7V7 L11V7-V9 HydrophobicContact CG1-CG2 3.91Å; V7-V9 PolarHBondContact O-N 3.15Å; V9-L11 HydrophobicContact CG1-CB 4.48Å; V9-L11 HydrophobicContact CG1-CD1 3.75Å; V9-L11 HydrophobicContact CG1-CG 3.93Å; V9-L11 PolarHBondContact O-N 2.84Å
10F40.7Very low61.4Low174 Ų17499 Ų9976%0.76353%0.528SS*.  trans-6687152.8-81.6-88.2000105.6N8 D12N8-F10 HydrophobicContact CB-CD2 4.17Å; N8-F10 HydrophobicContact CB-CE2 4.3Å; N8-F10 PolarHBondContact O-N 3.28Å; F10-D12 PolarHBondContact O-N 3.16Å
11L54.2Low62.9Low122 Ų12294.5 Ų94.564%0.63950%0.504SS*.  trans-57.6107.4160.7-101.4130000105.1V9 K13V9-L11 HydrophobicContact CG1-CB 4.48Å; V9-L11 HydrophobicContact CG1-CD1 3.75Å; V9-L11 HydrophobicContact CG1-CG 3.93Å; V9-L11 PolarHBondContact O-N 2.84Å; L11-K13 PolarHBondContact O-N 3.19Å
12D71.7Confident65.6Low154 Ų15486.2 Ų86.282%0.82447%0.467SS*.  trans-49.3112.8175.6-82.8-31.9000108.1F10 I14F10-D12 PolarHBondContact O-N 3.16Å; D12-I14 PolarHBondContact O-N 3.16Å
13K88.2Confident68.3Low134 Ų13483 Ų8358%0.58345%0.445SS*.PPolyproline II helixtrans-67.5136.1178.2-67.7-175.5-178.5-178.40108.1L11 D58 C59 H147L11-K13 PolarHBondContact O-N 3.19Å; K13-D58 HydrophobicContact CB-CB 4.14Å; K13-D58 HydrophobicContact CD-CB 3.93Å; K13-C59 WeakPolarHBondContact CA-O 3.23Å; K13-H147 PolarHBondContact O-CE1 3.24Å
14I91.8Very high71.2Confident12 Ų1272.7 Ų72.76%0.06241%0.405CS..EExtended strand (participates in β ladder)trans-99.2133176.2-178162.3000110.2D12 C59 S61 Y145 S146D12-I14 PolarHBondContact O-N 3.16Å; I14-C59 HydrophobicContact CG2-CB 3.84Å; I14-C59 PolarHBondContact N-O 2.04Å; I14-C59 VanDerWaalsContact N-O 3.14Å; I14-C59 PolarHBondContact O-N 3.12Å; I14-S61 WeakPolarHBondContact CG2-O 3.38Å; I14-Y145 VanDerWaalsContact CD1-O 3.25Å; I14-Y145 WeakPolarHBondContact CD1-O 3.16Å; I14-S146 VanDerWaalsContact CD1-CA 3.5Å; I14-S146 WeakPolarHBondContact CD1-O 3.46Å
15S93.5Very high74Confident28 Ų2870.8 Ų70.820%0.19639%0.387CS..EExtended strand (participates in β ladder)trans-88.4121176.8-45.30000110V57 D58 H147 G148S15-V57 CarbonylContact C-O 3.59Å; S15-V57 WeakPolarHBondContact CA-O 3.4Å; S15-D58 PolarHBondContact OG-OD1 3.09Å; S15-H147 PolarHBondContact N-ND1 2.97Å; S15-H147 VanDerWaalsContact N-ND1 3.16Å; S15-H147 CarbonylContact O-C 3.57Å; S15-H147 WeakPolarHBondContact O-CA 3.09Å; S15-H147 PolarHBondContact OG-ND1 3.1Å; S15-G148 PolarHBondContact O-N 3.04Å
16C94.6Very high76.6Confident0 Ų068.5 Ų68.50%039%0.388CS..EExtended strand (participates in β ladder)trans-121.8145.4-176.4-55.70000110.8S18 M56 V57 C59 C63C16-S18 PolarHBondContact O-N 3.23Å; C16-M56 CarbonylContact O-C 3.32Å; C16-M56 WeakPolarHBondContact O-CA 3.39Å; C16-V57 PolarHBondContact N-O 3Å; C16-V57 PolarHBondContact O-N 3.27Å; C16-C59 VanDerWaalsContact CB-SG 3.54Å; C16-C59 PolarHBondContact SG-SG 3.33Å; C16-C63 HydrophobicContact CB-CB 3.65Å; C16-C63 WeakPolarHBondContact CB-SG 3.34Å; C16-C63 WeakPolarHBondContact SG-CA 3.05Å; C16-C63 WeakPolarHBondContact SG-CB 2.98Å; C16-C63 CovalentContact SG-SG 2.01Å; C16-C63 PolarHBondContact SG-SG 2.91Å
17Y94.5Very high79.3Confident30 Ų3067 Ų6712%0.11837%0.369CS..EExtended strand (participates in β ladder)trans-62.9135.4172-69.3-72.2000110.4P48 I54 M56 R82 G83 N150Y17-P48 HydrophobicContact CD1-CB 4.07Å; Y17-P48 HydrophobicContact CD2-CB 4.15Å; Y17-P48 HydrophobicContact CD2-CG 4.08Å; Y17-P48 HydrophobicContact CE1-CB 4.09Å; Y17-P48 HydrophobicContact CE2-CB 4.17Å; Y17-P48 HydrophobicContact CE2-CG 4.33Å; Y17-P48 HydrophobicContact CG-CB 4.08Å; Y17-P48 HydrophobicContact CG-CG 4.3Å; Y17-I54 HydrophobicContact CD1-CB 4.11Å; Y17-I54 HydrophobicContact CD1-CG2 3.77Å; Y17-I54 HydrophobicContact CG-CG2 4.35Å; Y17-M56 HydrophobicContact CD1-CE 3.87Å; Y17-M56 HydrophobicContact CD1-CG 3.9Å; Y17-M56 HydrophobicContact CD2-CE 4Å; Y17-M56 HydrophobicContact CE1-CE 3.36Å; Y17-M56 HydrophobicContact CE1-CG 4.11Å; Y17-M56 HydrophobicContact CE2-CE 3.5Å; Y17-M56 VanDerWaalsContact CE2-CE 3.5Å; Y17-M56 HydrophobicContact CG-CE 4.18Å; Y17-M56 HydrophobicContact CG-CG 4.43Å; Y17-M56 WeakPolarHBondContact OH-CE 3.42Å; Y17-R82 CarbonylContact O-C 3.58Å; Y17-R82 VanDerWaalsContact O-C 3.32Å; Y17-R82 WeakPolarHBondContact O-CB 3.39Å; Y17-G83 WeakPolarHBondContact O-CA 3.36Å; Y17-G83 PolarHBondContact O-N 3.47Å; Y17-G83 VanDerWaalsContact O-N 3.16Å; Y17-N150 PolarHBondContact N-OD1 3.49Å; Y17-N150 PolarHBondContact O-ND2 3.43Å
18S95.1Very high81.9Confident13 Ų1364 Ų649%0.09135%0.345CS..  trans-120106.2175.11800000110.5C16 L39 G55 R82C16-S18 PolarHBondContact O-N 3.23Å; S18-L39 PolarHBondContact OG-N 2.95Å; S18-L39 VanDerWaalsContact OG-N 3.16Å; S18-G55 PolarHBondContact N-O 3.3Å; S18-R82 WeakPolarHBondContact CA-O 3.34Å
19C95.7Very high84.7Confident0 Ų063.7 Ų63.70%034%0.342CS..EExtended strand (participates in β ladder)trans-154.6162.5177.861.60000111.7N40 T42 C45 I54 R82C19-N40 CarbonylContact C-O 3.59Å; C19-N40 WeakPolarHBondContact CA-O 3.46Å; C19-T42 HydrophobicContact CB-CG2 4.31Å; C19-C45 HydrophobicContact CB-CB 3.72Å; C19-C45 WeakPolarHBondContact CB-SG 3.32Å; C19-C45 PolarHBondContact O-SG 3.34Å; C19-C45 VanDerWaalsContact O-SG 3.33Å; C19-C45 WeakPolarHBondContact SG-CA 3.48Å; C19-C45 WeakPolarHBondContact SG-CB 3.2Å; C19-C45 CovalentContact SG-SG 2.04Å; C19-C45 PolarHBondContact SG-SG 2.7Å; C19-I54 HydrophobicContact CB-CD1 4.42Å; C19-I54 HydrophobicContact CB-CG1 4.4Å; C19-I54 HydrophobicContact CB-CG2 3.75Å; C19-R82 PolarHBondContact N-O 3.21Å; C19-R82 VanDerWaalsContact N-O 3.16Å; C19-R82 PolarHBondContact O-N 3.27Å
20M95.3Very high87Confident4 Ų465.1 Ų65.12%0.0234%0.34CS..EExtended strand (participates in β ladder)trans-131.7150.6162.7-67.5-179.2-178.800109.5Y24 W28 F35 P38 N40 F41 T42 F80 I81M20-Y24 HydrophobicContact CB-CD2 4.05Å; M20-W28 HydrophobicContact CE-CZ3 4.42Å; M20-W28 HydrophobicContact SD-CZ3 4.17Å; M20-F35 HydrophobicContact CE-CB 3.93Å; M20-F35 HydrophobicContact CE-CD1 3.67Å; M20-F35 HydrophobicContact CE-CE1 4.47Å; M20-F35 HydrophobicContact CE-CG 3.99Å; M20-P38 HydrophobicContact CB-CB 4.49Å; M20-P38 HydrophobicContact CB-CG 3.95Å; M20-P38 HydrophobicContact CE-CG 4.4Å; M20-P38 HydrophobicContact CG-CB 3.95Å; M20-P38 HydrophobicContact CG-CG 3.64Å; M20-P38 HydrophobicContact SD-CG 3.84Å; M20-N40 PolarHBondContact N-O 3.11Å; M20-F41 HydrophobicContact CB-CD1 3.71Å; M20-F41 HydrophobicContact CB-CE1 3.71Å; M20-F41 HydrophobicContact CG-CE1 4.28Å; M20-F41 CarbonylContact O-C 3.57Å; M20-F41 VanDerWaalsContact O-CA 3.28Å; M20-F41 WeakPolarHBondContact O-CA 3.31Å; M20-F41 HydrophobicContact SD-CE1 3.82Å; M20-F41 HydrophobicContact SD-CZ 4.33Å; M20-T42 PolarHBondContact O-N 2.9Å; M20-F80 CarbonylContact C-O 3.17Å; M20-F80 WeakPolarHBondContact CA-O 3.34Å; M20-I81 HydrophobicContact CE-CD1 4.43Å; M20-I81 HydrophobicContact CE-CG2 3.65Å; M20-I81 HydrophobicContact CG-CB 4.22Å; M20-I81 HydrophobicContact CG-CG1 3.95Å; M20-I81 HydrophobicContact CG-CG2 3.91Å; M20-I81 HydrophobicContact SD-CG1 4.45Å; M20-I81 HydrophobicContact SD-CG2 4.46Å
21S93.1Very high89.4Confident5 Ų558.8 Ų58.84%0.03531%0.314CS..  trans-58.8144.4171.5-59.30000110.9F23 Y24 T42 D46 F80S21-F23 VanDerWaalsContact CB-CE1 3.46Å; S21-F23 PolarHBondContact O-N 3.45Å; S21-F23 VanDerWaalsContact O-N 3.07Å; S21-Y24 PolarHBondContact O-N 3Å; S21-T42 WeakPolarHBondContact CA-O 3.28Å; S21-D46 PolarHBondContact OG-OD1 3.12Å; S21-D46 VanDerWaalsContact OG-OD1 3.09Å; S21-F80 PolarHBondContact N-O 3.2Å; S21-F80 PolarHBondContact OG-N 3.02Å; S21-F80 PolarHBondContact OG-O 3.38Å
22T91.5Very high91.2Very high63 Ų6355.4 Ų55.439%0.38730%0.3SS..THydrogen-bonded Turntrans-55.1-31.8-171.6-53.50000114.3Y24 E25 T42 S43T22-Y24 PolarHBondContact O-N 3.24Å; T22-E25 WeakPolarHBondContact O-CB 3.09Å; T22-E25 PolarHBondContact O-N 2.92Å; T22-T42 VanDerWaalsContact OG1-C 3.26Å; T22-T42 WeakPolarHBondContact OG1-CA 3.4Å; T22-S43 PolarHBondContact OG1-N 3.31Å
23F88.3Confident92.1Very high94 Ų9455 Ų5541%0.41229%0.288SS..Hα-helixtrans-64.1-26.1-178.976.3-89.7000113.3S21 E25 G26S21-F23 VanDerWaalsContact CB-CE1 3.46Å; S21-F23 PolarHBondContact O-N 3.45Å; S21-F23 VanDerWaalsContact O-N 3.07Å; F23-E25 PolarHBondContact O-N 3.32Å; F23-G26 PolarHBondContact O-N 3.42Å
24Y92Very high92.1Very high13 Ų1349.1 Ų49.15%0.05126%0.263CS..Hα-helixtrans-67.7-22.1174.5-70.6-58000112.3M20 S21 T22 A27 W28 L31 E68 I81M20-Y24 HydrophobicContact CB-CD2 4.05Å; S21-Y24 PolarHBondContact O-N 3Å; T22-Y24 PolarHBondContact O-N 3.24Å; Y24-A27 CarbonylContact O-C 3.57Å; Y24-A27 PolarHBondContact O-N 3.34Å; Y24-W28 PolarHBondContact O-N 3.09Å; Y24-W28 VanDerWaalsContact O-N 3.09Å; Y24-L31 HydrophobicContact CD1-CD1 3.57Å; Y24-L31 HydrophobicContact CG-CD1 4.16Å; Y24-E68 PolarHBondContact OH-OE1 3.03Å; Y24-I81 HydrophobicContact CD2-CD1 4.39Å; Y24-I81 HydrophobicContact CD2-CG1 4.04Å; Y24-I81 HydrophobicContact CE1-CD1 4.48Å; Y24-I81 HydrophobicContact CE2-CD1 3.85Å; Y24-I81 HydrophobicContact CE2-CG1 3.53Å
25E93.7Very high92.2Very high96 Ų9649.1 Ų49.145%0.44926%0.263SS..Hα-helixtrans-62.9-43.4177-168.2168.1-151.800111.4T22 F23 A27 W28 F41T22-E25 WeakPolarHBondContact O-CB 3.09Å; T22-E25 PolarHBondContact O-N 2.92Å; F23-E25 PolarHBondContact O-N 3.32Å; E25-A27 PolarHBondContact O-N 2.97Å; E25-W28 WeakPolarHBondContact O-CB 3.45Å; E25-W28 PolarHBondContact O-N 3.09Å; E25-W28 VanDerWaalsContact O-N 3.09Å; E25-F41 HydrophobicContact CB-CB 3.94Å; E25-F41 HydrophobicContact CB-CD1 3.81Å; E25-F41 HydrophobicContact CB-CD2 4.19Å; E25-F41 HydrophobicContact CB-CE1 4.38Å; E25-F41 HydrophobicContact CB-CG 3.71Å; E25-F41 HydrophobicContact CG-CB 4.21Å; E25-F41 HydrophobicContact CG-CD1 4.49Å; E25-F41 HydrophobicContact CG-CD2 3.98Å; E25-F41 HydrophobicContact CG-CG 3.98Å
26G90.7Very high92.3Very high74 Ų7450.9 Ų50.976%0.76327%0.273SS*.Hα-helixtrans-64.1-27.5177.500000113.5F23F23-G26 PolarHBondContact O-N 3.42Å
27A89.8Confident92.3Very high37 Ų3757.4 Ų57.431%0.30630%0.297SS..THydrogen-bonded Turntrans-96.25.8177.100000113.4Y24 E25 I29 F30 L31Y24-A27 CarbonylContact O-C 3.57Å; Y24-A27 PolarHBondContact O-N 3.34Å; E25-A27 PolarHBondContact O-N 2.97Å; A27-I29 VanDerWaalsContact C-N 3.27Å; A27-I29 PolarHBondContact O-N 2.82Å; A27-I29 VanDerWaalsContact O-N 3.15Å; A27-F30 PolarHBondContact O-N 3.2Å; A27-L31 HydrophobicContact CB-CD1 3.94Å; A27-L31 HydrophobicContact CB-CG 4.29Å; A27-L31 PolarHBondContact O-N 3.06Å; A27-L31 VanDerWaalsContact O-N 3.12Å
28W93.8Very high92.3Very high51 Ų5156.3 Ų56.319%0.19329%0.294CS..Hα-helixtrans-59-34.7-168.5-176-113.4000113.9M20 Y24 E25 F30 L31 S32 F35 R37 F41M20-W28 HydrophobicContact CE-CZ3 4.42Å; M20-W28 HydrophobicContact SD-CZ3 4.17Å; Y24-W28 PolarHBondContact O-N 3.09Å; Y24-W28 VanDerWaalsContact O-N 3.09Å; E25-W28 WeakPolarHBondContact O-CB 3.45Å; E25-W28 PolarHBondContact O-N 3.09Å; E25-W28 VanDerWaalsContact O-N 3.09Å; W28-F30 PolarHBondContact O-N 2.99Å; W28-F30 VanDerWaalsContact O-N 3.16Å; W28-L31 HydrophobicContact CE3-CB 4.02Å; W28-L31 HydrophobicContact CZ3-CB 4.2Å; W28-L31 PolarHBondContact O-N 2.86Å; W28-S32 VanDerWaalsContact O-CB 3.23Å; W28-S32 WeakPolarHBondContact O-CB 3.26Å; W28-S32 PolarHBondContact O-N 2.88Å; W28-S32 PolarHBondContact O-OG 3.12Å; W28-F35 HydrophobicContact CH2-CB 4.19Å; W28-F35 WeakPolarHBondContact CH2-O 3.34Å; W28-F35 HydrophobicContact CZ3-CB 4.15Å; W28-R37 HydrophobicContact CH2-CB 3.95Å; W28-R37 HydrophobicContact CH2-CG 4.3Å; W28-R37 HydrophobicContact CZ2-CB 3.44Å; W28-R37 VanDerWaalsContact CZ2-CB 3.44Å; W28-R37 HydrophobicContact CZ2-CG 3.71Å; W28-F41 HydrophobicContact CD2-CE2 4.49Å; W28-F41 AromaticContact CD2-CZ 3.84Å; W28-F41 HydrophobicContact CD2-CZ 3.84Å; W28-F41 HydrophobicContact CE3-CE1 4.14Å; W28-F41 AromaticContact CE3-CZ 3.51Å; W28-F41 HydrophobicContact CE3-CZ 3.51Å; W28-F41 HydrophobicContact CG-CZ 4.35Å; W28-F41 HydrophobicContact CZ3-CZ 4.01Å
29I90.9Very high92.3Very high131 Ų13159.5 Ų59.567%0.67231%0.31SS*.Hα-helixtrans-55-35.9176.9-63.6174.8000111.3A27 S32A27-I29 VanDerWaalsContact C-N 3.27Å; A27-I29 PolarHBondContact O-N 2.82Å; A27-I29 VanDerWaalsContact O-N 3.15Å; I29-S32 PolarHBondContact O-OG 3.07Å; I29-S32 VanDerWaalsContact O-OG 3.1Å
30F88.4Confident92.2Very high133 Ų13362.3 Ų62.358%0.58333%0.325SS*.Hα-helixtrans-85.6-41.7177-56.7-74.5000112.2A27 W28 S32 R33A27-F30 PolarHBondContact O-N 3.2Å; W28-F30 PolarHBondContact O-N 2.99Å; W28-F30 VanDerWaalsContact O-N 3.16Å; F30-S32 VanDerWaalsContact C-N 3.35Å; F30-S32 PolarHBondContact O-N 3.17Å; F30-R33 PolarHBondContact O-N 2.81Å
31L90.4Very high92.2Very high41 Ų4163.3 Ų63.322%0.21533%0.329CS..Hα-helixtrans-70.3-29.5-175.6-65.3172.6000113.5Y24 A27 W28 R33 A34 F35Y24-L31 HydrophobicContact CD1-CD1 3.57Å; Y24-L31 HydrophobicContact CG-CD1 4.16Å; A27-L31 HydrophobicContact CB-CD1 3.94Å; A27-L31 HydrophobicContact CB-CG 4.29Å; A27-L31 PolarHBondContact O-N 3.06Å; A27-L31 VanDerWaalsContact O-N 3.12Å; W28-L31 HydrophobicContact CE3-CB 4.02Å; W28-L31 HydrophobicContact CZ3-CB 4.2Å; W28-L31 PolarHBondContact O-N 2.86Å; L31-R33 PolarHBondContact O-N 2.82Å; L31-A34 PolarHBondContact O-N 3.47Å; L31-F35 PolarHBondContact O-N 2.91Å
32S92.4Very high92.1Very high50 Ų5064.2 Ų64.235%0.3533%0.334SS..THydrogen-bonded Turntrans-56.9-17.1178.161.40000114.5W28 I29 F30W28-S32 VanDerWaalsContact O-CB 3.23Å; W28-S32 WeakPolarHBondContact O-CB 3.26Å; W28-S32 PolarHBondContact O-N 2.88Å; W28-S32 PolarHBondContact O-OG 3.12Å; I29-S32 PolarHBondContact O-OG 3.07Å; I29-S32 VanDerWaalsContact O-OG 3.1Å; F30-S32 VanDerWaalsContact C-N 3.35Å; F30-S32 PolarHBondContact O-N 3.17Å
33R90Very high91.9Very high147 Ų14765.5 Ų65.556%0.55535%0.345SS*.THydrogen-bonded Turntrans-77.7-21.3173.7-60.4-172.1-170.1166.5-2.4113.5F30 L31F30-R33 PolarHBondContact O-N 2.81Å; L31-R33 PolarHBondContact O-N 2.82Å
34A89.8Confident91.9Very high9 Ų963.9 Ų63.97%0.07434%0.339CS..THydrogen-bonded Turntrans-113.8-38.3-177.100000112.2L31 L89 V90 L120L31-A34 PolarHBondContact O-N 3.47Å; A34-L89 CarbonylContact O-C 3.45Å; A34-L89 WeakPolarHBondContact O-CA 2.94Å; A34-L89 WeakPolarHBondContact O-CD2 3.36Å; A34-V90 PolarHBondContact O-N 2.87Å; A34-L120 HydrophobicContact CB-CD2 3.58Å
35F93.7Very high91.8Very high12 Ų1263.2 Ų63.25%0.05334%0.337CS..BIsolated β-bridgetrans-107.8145.1-176.9-72.9-91.6000112.4M20 W28 L31 M66 I81 M88 L89 L118M20-F35 HydrophobicContact CE-CB 3.93Å; M20-F35 HydrophobicContact CE-CD1 3.67Å; M20-F35 HydrophobicContact CE-CE1 4.47Å; M20-F35 HydrophobicContact CE-CG 3.99Å; W28-F35 HydrophobicContact CH2-CB 4.19Å; W28-F35 WeakPolarHBondContact CH2-O 3.34Å; W28-F35 HydrophobicContact CZ3-CB 4.15Å; L31-F35 PolarHBondContact O-N 2.91Å; F35-M66 HydrophobicContact CE1-SD 4.17Å; F35-M66 HydrophobicContact CZ-SD 4.38Å; F35-I81 HydrophobicContact CD1-CD1 4.49Å; F35-I81 HydrophobicContact CE1-CD1 3.81Å; F35-I81 HydrophobicContact CE1-CG2 4.31Å; F35-I81 HydrophobicContact CZ-CD1 3.88Å; F35-M88 WeakPolarHBondContact CA-O 3.42Å; F35-M88 HydrophobicContact CD1-CG 4.06Å; F35-M88 HydrophobicContact CE1-CG 4.25Å; F35-L89 HydrophobicContact CD1-CD2 3.53Å; F35-L89 HydrophobicContact CD2-CD2 4.24Å; F35-L89 HydrophobicContact CE1-CD2 3.46Å; F35-L89 VanDerWaalsContact CE1-CD2 3.46Å; F35-L89 HydrophobicContact CE2-CD2 4.17Å; F35-L89 HydrophobicContact CG-CD2 3.94Å; F35-L89 HydrophobicContact CZ-CD2 3.8Å; F35-L118 HydrophobicContact CE2-CD1 4.2Å; F35-L118 HydrophobicContact CZ-CD1 3.89Å; F35-L118 HydrophobicContact CZ-CD2 4.33Å
36T94.6Very high91.3Very high66 Ų6660.6 Ų60.641%0.40533%0.326SS..PPolyproline II helixtrans-76.2143.7163.4-560000109.4S87 M88T36-S87 WeakPolarHBondContact CB-O 3.42Å; T36-S87 PolarHBondContact OG1-O 2.76Å; T36-M88 PolarHBondContact N-O 2.75Å
37R95Very high90.9Very high137 Ų13762.2 Ų62.252%0.51731%0.312SS..PPolyproline II helixtrans-61.1129.8-178.3-162-177.2177.1-79.94.4110.7W28 F41W28-R37 HydrophobicContact CH2-CB 3.95Å; W28-R37 HydrophobicContact CH2-CG 4.3Å; W28-R37 HydrophobicContact CZ2-CB 3.44Å; W28-R37 VanDerWaalsContact CZ2-CB 3.44Å; W28-R37 HydrophobicContact CZ2-CG 3.71Å; R37-F41 HydrophobicContact CG-CE2 4.12Å
38P95.1Very high89.9Confident6 Ų661 Ų614%0.03930%0.301CS..PPolyproline II helixtrans-68.8166.2171.733.5-39000110.7M20 N40 F41M20-P38 HydrophobicContact CB-CB 4.49Å; M20-P38 HydrophobicContact CB-CG 3.95Å; M20-P38 HydrophobicContact CE-CG 4.4Å; M20-P38 HydrophobicContact CG-CB 3.95Å; M20-P38 HydrophobicContact CG-CG 3.64Å; M20-P38 HydrophobicContact SD-CG 3.84Å; P38-N40 VanDerWaalsContact C-N 3.33Å; P38-F41 VanDerWaalsContact CD-CZ 3.49Å; P38-F41 HydrophobicContact CG-CD1 4.2Å; P38-F41 HydrophobicContact CG-CD2 4.21Å; P38-F41 HydrophobicContact CG-CE1 3.77Å; P38-F41 HydrophobicContact CG-CE2 3.78Å; P38-F41 HydrophobicContact CG-CG 4.4Å; P38-F41 HydrophobicContact CG-CZ 3.53Å
39L94.4Very high88.7Confident81 Ų8162.2 Ų62.242%0.42431%0.314SS..SBendtrans-60.3-46.2170-70.7-178000111S18 V57S18-L39 PolarHBondContact OG-N 2.95Å; S18-L39 VanDerWaalsContact OG-N 3.16Å; L39-V57 HydrophobicContact CD1-CG1 3.46Å; L39-V57 VanDerWaalsContact CD1-CG1 3.46Å; L39-V57 HydrophobicContact CD2-CG1 4.07Å; L39-V57 HydrophobicContact CG-CG1 3.64Å
40N93.3Very high87.4Confident59 Ų5961 Ų6132%0.31632%0.323SS..EExtended strand (participates in β ladder)trans-134.6139.1-175.3-57.899.7000112.5C19 M20 P38 T42 G55C19-N40 CarbonylContact C-O 3.59Å; C19-N40 WeakPolarHBondContact CA-O 3.46Å; M20-N40 PolarHBondContact N-O 3.11Å; P38-N40 VanDerWaalsContact C-N 3.33Å; N40-T42 HydrophobicContact CB-CG2 4.39Å; N40-G55 PolarHBondContact OD1-N 3.12Å
41F94.5Very high86.1Confident25 Ų2563.2 Ų63.211%0.1134%0.336CS..EExtended strand (participates in β ladder)trans-94.7120.1159.4-68.2-82.7000108M20 E25 W28 R37 P38M20-F41 HydrophobicContact CB-CD1 3.71Å; M20-F41 HydrophobicContact CB-CE1 3.71Å; M20-F41 HydrophobicContact CG-CE1 4.28Å; M20-F41 CarbonylContact O-C 3.57Å; M20-F41 VanDerWaalsContact O-CA 3.28Å; M20-F41 WeakPolarHBondContact O-CA 3.31Å; M20-F41 HydrophobicContact SD-CE1 3.82Å; M20-F41 HydrophobicContact SD-CZ 4.33Å; E25-F41 HydrophobicContact CB-CB 3.94Å; E25-F41 HydrophobicContact CB-CD1 3.81Å; E25-F41 HydrophobicContact CB-CD2 4.19Å; E25-F41 HydrophobicContact CB-CE1 4.38Å; E25-F41 HydrophobicContact CB-CG 3.71Å; E25-F41 HydrophobicContact CG-CB 4.21Å; E25-F41 HydrophobicContact CG-CD1 4.49Å; E25-F41 HydrophobicContact CG-CD2 3.98Å; E25-F41 HydrophobicContact CG-CG 3.98Å; W28-F41 HydrophobicContact CD2-CE2 4.49Å; W28-F41 AromaticContact CD2-CZ 3.84Å; W28-F41 HydrophobicContact CD2-CZ 3.84Å; W28-F41 HydrophobicContact CE3-CE1 4.14Å; W28-F41 AromaticContact CE3-CZ 3.51Å; W28-F41 HydrophobicContact CE3-CZ 3.51Å; W28-F41 HydrophobicContact CG-CZ 4.35Å; W28-F41 HydrophobicContact CZ3-CZ 4.01Å; R37-F41 HydrophobicContact CG-CE2 4.12Å; P38-F41 VanDerWaalsContact CD-CZ 3.49Å; P38-F41 HydrophobicContact CG-CD1 4.2Å; P38-F41 HydrophobicContact CG-CD2 4.21Å; P38-F41 HydrophobicContact CG-CE1 3.77Å; P38-F41 HydrophobicContact CG-CE2 3.78Å; P38-F41 HydrophobicContact CG-CG 4.4Å; P38-F41 HydrophobicContact CG-CZ 3.53Å
42T92.3Very high85.2Confident24 Ų2462.1 Ų62.115%0.14733%0.331CS..  trans-159.4148.1-174.8179.10000112.3C19 M20 S21 T22 N40 E44 C45 I54C19-T42 HydrophobicContact CB-CG2 4.31Å; M20-T42 PolarHBondContact O-N 2.9Å; S21-T42 WeakPolarHBondContact CA-O 3.28Å; T22-T42 VanDerWaalsContact OG1-C 3.26Å; T22-T42 WeakPolarHBondContact OG1-CA 3.4Å; N40-T42 HydrophobicContact CB-CG2 4.39Å; T42-E44 HydrophobicContact CG2-CB 4.19Å; T42-E44 PolarHBondContact O-N 2.72Å; T42-E44 PolarHBondContact OG1-N 3.43Å; T42-E44 VanDerWaalsContact OG1-N 3.1Å; T42-C45 HydrophobicContact CG2-CB 4.22Å; T42-C45 VanDerWaalsContact O-CB 3.31Å; T42-C45 WeakPolarHBondContact O-CB 3.31Å; T42-C45 PolarHBondContact O-N 2.83Å; T42-I54 HydrophobicContact CG2-CD1 4.01Å; T42-I54 HydrophobicContact CG2-CG1 3.78Å
43S87.4Confident84.6Confident89 Ų8969.4 Ų69.462%0.62235%0.351SS*.G310 helixtrans-68.8-17.8170.255.80000112.8T22 C45T22-S43 PolarHBondContact OG1-N 3.31Å; S43-C45 PolarHBondContact O-N 2.86Å
44E87.4Confident84.5Confident60 Ų6062.9 Ų62.928%0.2833%0.327SS..G310 helixtrans-71.4-10.3174.7-64.4175.5-165.100111.9T42 D46 F47 S52 R53 I54T42-E44 HydrophobicContact CG2-CB 4.19Å; T42-E44 PolarHBondContact O-N 2.72Å; T42-E44 PolarHBondContact OG1-N 3.43Å; T42-E44 VanDerWaalsContact OG1-N 3.1Å; E44-D46 PolarHBondContact O-N 3.42Å; E44-D46 VanDerWaalsContact O-N 3.11Å; E44-F47 CarbonylContact O-C 3.55Å; E44-F47 PolarHBondContact O-N 2.91Å; E44-S52 WeakPolarHBondContact OE2-CA 3.1Å; E44-R53 IonicContact OE1-NH2 2.76Å; E44-R53 PolarHBondContact OE2-N 3.28Å; E44-I54 VanDerWaalsContact C-CD1 3.48Å; E44-I54 HydrophobicContact CB-CD1 3.87Å; E44-I54 HydrophobicContact CB-CG1 4.43Å; E44-I54 VanDerWaalsContact O-CD1 3.29Å; E44-I54 WeakPolarHBondContact O-CD1 3.31Å
45C90Very high84.5Confident0 Ų063.6 Ų63.60%034%0.336CS..G310 helixtrans-65-17.8-177.5-164.30000113C19 T42 S43 F47 R82C19-C45 HydrophobicContact CB-CB 3.72Å; C19-C45 WeakPolarHBondContact CB-SG 3.32Å; C19-C45 PolarHBondContact O-SG 3.34Å; C19-C45 VanDerWaalsContact O-SG 3.33Å; C19-C45 WeakPolarHBondContact SG-CA 3.48Å; C19-C45 WeakPolarHBondContact SG-CB 3.2Å; C19-C45 CovalentContact SG-SG 2.04Å; C19-C45 PolarHBondContact SG-SG 2.7Å; T42-C45 HydrophobicContact CG2-CB 4.22Å; T42-C45 VanDerWaalsContact O-CB 3.31Å; T42-C45 WeakPolarHBondContact O-CB 3.31Å; T42-C45 PolarHBondContact O-N 2.83Å; S43-C45 PolarHBondContact O-N 2.86Å; C45-F47 VanDerWaalsContact C-N 3.34Å; C45-R82 PolarHBondContact O-NE 3.16Å; C45-R82 PolarHBondContact O-NH2 2.92Å
46D84.5Confident84.5Confident41 Ų4167 Ų6722%0.21935%0.353CS..G310 helixtrans-68.6-37.5175.9-60.917000110.7S21 E44 F80 R82S21-D46 PolarHBondContact OG-OD1 3.12Å; S21-D46 VanDerWaalsContact OG-OD1 3.09Å; E44-D46 PolarHBondContact O-N 3.42Å; E44-D46 VanDerWaalsContact O-N 3.11Å; D46-F80 HydrophobicContact CB-CD2 3.74Å; D46-F80 HydrophobicContact CB-CE2 3.65Å; D46-F80 HydrophobicContact CB-CG 4.46Å; D46-F80 HydrophobicContact CB-CZ 4.35Å; D46-F80 VanDerWaalsContact CG-CE2 3.46Å; D46-F80 WeakPolarHBondContact OD1-CD2 3.06Å; D46-R82 PolarHBondContact O-NH2 2.99Å
47F80.2Confident84.4Confident107 Ų10765.5 Ų65.547%0.46934%0.343SS..SBendtrans-145.375.8-176.9-53.2-66.2000111E44 C45 T49 Y153E44-F47 CarbonylContact O-C 3.55Å; E44-F47 PolarHBondContact O-N 2.91Å; C45-F47 VanDerWaalsContact C-N 3.34Å; F47-T49 PolarHBondContact O-N 3.31Å; F47-Y153 AromaticContact CD1-CD2 3.71Å; F47-Y153 HydrophobicContact CD1-CD2 3.71Å; F47-Y153 HydrophobicContact CD1-CE2 4.06Å; F47-Y153 AromaticContact CE1-CD2 3.28Å; F47-Y153 HydrophobicContact CE1-CD2 3.28Å; F47-Y153 AromaticContact CE1-CE2 3.21Å; F47-Y153 HydrophobicContact CE1-CE2 3.21Å; F47-Y153 HydrophobicContact CE1-CG 4.49Å; F47-Y153 HydrophobicContact CZ-CD2 4.29Å; F47-Y153 AromaticContact CZ-CE2 3.8Å; F47-Y153 HydrophobicContact CZ-CE2 3.8Å
48P70.2Confident84.4Confident12 Ų1264 Ų648%0.07835%0.345CS..  trans-64.5109.1171.827.2-34.2000109.1Y17 S52 I54 G151Y17-P48 HydrophobicContact CD1-CB 4.07Å; Y17-P48 HydrophobicContact CD2-CB 4.15Å; Y17-P48 HydrophobicContact CD2-CG 4.08Å; Y17-P48 HydrophobicContact CE1-CB 4.09Å; Y17-P48 HydrophobicContact CE2-CB 4.17Å; Y17-P48 HydrophobicContact CE2-CG 4.33Å; Y17-P48 HydrophobicContact CG-CB 4.08Å; Y17-P48 HydrophobicContact CG-CG 4.3Å; P48-S52 VanDerWaalsContact CA-OG 3.31Å; P48-S52 WeakPolarHBondContact CA-OG 3.49Å; P48-I54 HydrophobicContact CB-CD1 3.68Å; P48-G151 VanDerWaalsContact CG-CA 3.42Å
49T68.7Low84.3Confident76 Ų7663.7 Ų63.747%0.46634%0.344SS..  trans-89.2168.816862.10000109.4F47 E51 S52F47-T49 PolarHBondContact O-N 3.31Å; T49-E51 PolarHBondContact O-N 2.96Å; T49-E51 VanDerWaalsContact O-N 3.09Å; T49-E51 PolarHBondContact OG1-N 3.31Å; T49-S52 PolarHBondContact N-OG 3.1Å; T49-S52 WeakPolarHBondContact O-CB 3.03Å; T49-S52 PolarHBondContact O-N 3.46Å; T49-S52 PolarHBondContact O-OG 3.39Å; T49-S52 PolarHBondContact OG1-N 3.42Å
50A62.4Low84.2Confident105 Ų10563.3 Ų63.387%0.86835%0.348SS*.THydrogen-bonded Turntrans-58.5-20.817200000112.9
51E62.1Low84.1Confident181 Ų18162.1 Ų62.185%0.84634%0.344SS*.THydrogen-bonded Turntrans-92.3-10.2177-62.3173.8-177.900113T49T49-E51 PolarHBondContact O-N 2.96Å; T49-E51 VanDerWaalsContact O-N 3.09Å; T49-E51 PolarHBondContact OG1-N 3.31Å
52S71.1Confident84.1Confident17 Ų1761.1 Ų61.112%0.11934%0.34CS..SBendtrans-65.2142.7179.367.80000110.4E44 P48 T49 I54E44-S52 WeakPolarHBondContact OE2-CA 3.1Å; P48-S52 VanDerWaalsContact CA-OG 3.31Å; P48-S52 WeakPolarHBondContact CA-OG 3.49Å; T49-S52 PolarHBondContact N-OG 3.1Å; T49-S52 WeakPolarHBondContact O-CB 3.03Å; T49-S52 PolarHBondContact O-N 3.46Å; T49-S52 PolarHBondContact O-OG 3.39Å; T49-S52 PolarHBondContact OG1-N 3.42Å; S52-I54 PolarHBondContact O-N 3.06Å
53R80.1Confident84.2Confident203 Ų20360 Ų6077%0.76633%0.333SS*.  trans-80.626.7-179.5-70176.3-71.6-172.6-4112.3E44E44-R53 IonicContact OE1-NH2 2.76Å; E44-R53 PolarHBondContact OE2-N 3.28Å
54I87.5Confident84.6Confident11 Ų1155.7 Ų55.76%0.05630%0.303CS..PPolyproline II helixtrans-88.5118.3-175.5-64.8167.3000108.6Y17 C19 T42 E44 P48 S52Y17-I54 HydrophobicContact CD1-CB 4.11Å; Y17-I54 HydrophobicContact CD1-CG2 3.77Å; Y17-I54 HydrophobicContact CG-CG2 4.35Å; C19-I54 HydrophobicContact CB-CD1 4.42Å; C19-I54 HydrophobicContact CB-CG1 4.4Å; C19-I54 HydrophobicContact CB-CG2 3.75Å; T42-I54 HydrophobicContact CG2-CD1 4.01Å; T42-I54 HydrophobicContact CG2-CG1 3.78Å; E44-I54 VanDerWaalsContact C-CD1 3.48Å; E44-I54 HydrophobicContact CB-CD1 3.87Å; E44-I54 HydrophobicContact CB-CG1 4.43Å; E44-I54 VanDerWaalsContact O-CD1 3.29Å; E44-I54 WeakPolarHBondContact O-CD1 3.31Å; P48-I54 HydrophobicContact CB-CD1 3.68Å; S52-I54 PolarHBondContact O-N 3.06Å
55G90.1Very high84.9Confident24 Ų2453 Ų5325%0.24729%0.291CS..PPolyproline II helixtrans-64.6152.217600000112.7S18 N40S18-G55 PolarHBondContact N-O 3.3Å; N40-G55 PolarHBondContact OD1-N 3.12Å
56M92.8Very high85.1Confident83 Ų8353.1 Ų53.141%0.40929%0.291SS..EExtended strand (participates in β ladder)trans-103.7146.4168.9-67.4-171.5170.300110.7C16 Y17C16-M56 CarbonylContact O-C 3.32Å; C16-M56 WeakPolarHBondContact O-CA 3.39Å; Y17-M56 HydrophobicContact CD1-CE 3.87Å; Y17-M56 HydrophobicContact CD1-CG 3.9Å; Y17-M56 HydrophobicContact CD2-CE 4Å; Y17-M56 HydrophobicContact CE1-CE 3.36Å; Y17-M56 HydrophobicContact CE1-CG 4.11Å; Y17-M56 HydrophobicContact CE2-CE 3.5Å; Y17-M56 VanDerWaalsContact CE2-CE 3.5Å; Y17-M56 HydrophobicContact CG-CE 4.18Å; Y17-M56 HydrophobicContact CG-CG 4.43Å; Y17-M56 WeakPolarHBondContact OH-CE 3.42Å
57V94.1Very high85.5Confident35 Ų3552.8 Ų52.821%0.21229%0.286CS..EExtended strand (participates in β ladder)trans-117.7146.6173.2-66.70000109.6S15 C16 L39 C84S15-V57 CarbonylContact C-O 3.59Å; S15-V57 WeakPolarHBondContact CA-O 3.4Å; C16-V57 PolarHBondContact N-O 3Å; C16-V57 PolarHBondContact O-N 3.27Å; L39-V57 HydrophobicContact CD1-CG1 3.46Å; L39-V57 VanDerWaalsContact CD1-CG1 3.46Å; L39-V57 HydrophobicContact CD2-CG1 4.07Å; L39-V57 HydrophobicContact CG-CG1 3.64Å; V57-C84 WeakPolarHBondContact CG2-SG 3.32Å
58D94.1Very high85.9Confident104 Ų10449 Ų4956%0.55627%0.27SS*.EExtended strand (participates in β ladder)trans-83.2116.2173.4-67.9-29.9000110.3K13 S15K13-D58 HydrophobicContact CB-CB 4.14Å; K13-D58 HydrophobicContact CD-CB 3.93Å; S15-D58 PolarHBondContact OG-OD1 3.09Å
59C94.1Very high86.6Confident1 Ų151.9 Ų51.91%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-97.2143.7178.8-50.20000110.7K13 I14 C16 C84K13-C59 WeakPolarHBondContact CA-O 3.23Å; I14-C59 HydrophobicContact CG2-CB 3.84Å; I14-C59 PolarHBondContact N-O 2.04Å; I14-C59 VanDerWaalsContact N-O 3.14Å; I14-C59 PolarHBondContact O-N 3.12Å; C16-C59 VanDerWaalsContact CB-SG 3.54Å; C16-C59 PolarHBondContact SG-SG 3.33Å; C59-C84 WeakPolarHBondContact CA-SG 2.86Å; C59-C84 HydrophobicContact CB-CB 3.53Å; C59-C84 WeakPolarHBondContact CB-SG 2.79Å; C59-C84 WeakPolarHBondContact SG-CA 3.34Å; C59-C84 WeakPolarHBondContact SG-CB 3.43Å; C59-C84 CovalentContact SG-SG 2.01Å; C59-C84 PolarHBondContact SG-SG 3.15Å
60S91.6Very high87.2Confident73 Ų7350.5 Ų50.551%0.5128%0.277SS..SBendtrans-81.6-6.4172.173.80000112.9D86S60-D86 PolarHBondContact N-OD2 3.46Å; S60-D86 PolarHBondContact OG-OD2 3.05Å
61S91.6Very high88Confident33 Ų3349.5 Ų49.523%0.23126%0.26CS..SBendtrans-131.7-127.4-172.173.20000112.4I14 D86I14-S61 WeakPolarHBondContact CG2-O 3.38Å; S61-D86 VanDerWaalsContact OG-CG 3.3Å; S61-D86 PolarHBondContact OG-N 2.67Å; S61-D86 PolarHBondContact OG-OD1 3.3Å
62V93.5Very high88.8Confident4 Ų445.7 Ų45.72%0.02425%0.245CC..  trans-107.1153.9-178.1-57.50000110.8Y85 L104 T143 C144 Y145V62-Y85 HydrophobicContact CG2-CG 4.2Å; V62-Y85 PolarHBondContact O-N 3.15Å; V62-L104 HydrophobicContact CG1-CD2 3.95Å; V62-L104 HydrophobicContact CG2-CD2 3.79Å; V62-T143 HydrophobicContact CG2-CG2 4.34Å; V62-C144 WeakPolarHBondContact CB-O 3.46Å; V62-Y145 HydrophobicContact CB-CE1 4.45Å; V62-Y145 HydrophobicContact CG1-CD1 3.52Å; V62-Y145 HydrophobicContact CG1-CE1 3.15Å; V62-Y145 HydrophobicContact CG1-CE2 4.12Å; V62-Y145 HydrophobicContact CG1-CG 4.19Å; V62-Y145 VanDerWaalsContact CG1-CZ 3.45Å
63C95.3Very high89.5Confident0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans-75.7142169-50.90000110.3C16 T143 C144 N150C16-C63 HydrophobicContact CB-CB 3.65Å; C16-C63 WeakPolarHBondContact CB-SG 3.34Å; C16-C63 WeakPolarHBondContact SG-CA 3.05Å; C16-C63 WeakPolarHBondContact SG-CB 2.98Å; C16-C63 CovalentContact SG-SG 2.01Å; C16-C63 PolarHBondContact SG-SG 2.91Å; C63-T143 WeakPolarHBondContact O-CA 3.15Å; C63-C144 PolarHBondContact N-O 2.95Å; C63-C144 PolarHBondContact O-N 3.13Å; C63-N150 HydrophobicContact CB-CB 3.56Å
64I95.1Very high89.6Confident0 Ų046 Ų460%028%0.275CS..EExtended strand (participates in β ladder)trans-114.5140.9172.2-67.7-161.2000110.5M66 R82 G83 Y85 M88 F93 W103 I141 C142 T143 N150I64-M66 HydrophobicContact CG2-CE 3.85Å; I64-R82 WeakPolarHBondContact O-CA 3.38Å; I64-G83 PolarHBondContact N-O 3.1Å; I64-G83 PolarHBondContact O-N 3.19Å; I64-G83 VanDerWaalsContact O-N 3.15Å; I64-Y85 HydrophobicContact CD1-CD2 3.75Å; I64-Y85 HydrophobicContact CD1-CG 4.16Å; I64-M88 HydrophobicContact CB-CE 3.78Å; I64-M88 HydrophobicContact CB-SD 4.47Å; I64-M88 HydrophobicContact CG2-CE 3.75Å; I64-M88 HydrophobicContact CG2-SD 4Å; I64-F93 HydrophobicContact CD1-CE2 3.73Å; I64-F93 HydrophobicContact CD1-CZ 3.88Å; I64-W103 HydrophobicContact CD1-CE3 4.28Å; I64-W103 HydrophobicContact CD1-CZ3 4.08Å; I64-I141 HydrophobicContact CG2-CG2 4.12Å; I64-C142 WeakPolarHBondContact CA-O 3.45Å; I64-T143 HydrophobicContact CD1-CG2 4.28Å; I64-T143 HydrophobicContact CG1-CG2 4.11Å; I64-N150 PolarHBondContact O-ND2 2.95Å
65K94.3Very high89.3Confident4 Ų450.5 Ų50.52%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-126.2123.1161176-171.3178.7179.40107.3W67 R82 C142 N150 A152 Y153 L155K65-W67 HydrophobicContact CD-CE3 4.36Å; K65-W67 HydrophobicContact CD-CZ3 3.92Å; K65-W67 HydrophobicContact CG-CE3 4.14Å; K65-W67 HydrophobicContact CG-CZ3 4.08Å; K65-R82 HydrophobicContact CB-CG 4.41Å; K65-R82 HydrophobicContact CG-CG 4.31Å; K65-C142 PolarHBondContact N-O 2.93Å; K65-C142 PolarHBondContact O-N 2.92Å; K65-N150 HydrophobicContact CB-CB 4.22Å; K65-A152 PolarHBondContact NZ-O 3.01Å; K65-Y153 PolarHBondContact NZ-O 2.92Å; K65-L155 HydrophobicContact CB-CD1 3.91Å; K65-L155 HydrophobicContact CD-CD1 4.17Å
66M93.9Very high89Confident1 Ų154.8 Ų54.81%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-127.7155.4171.369.1179.168.100111.3F35 I64 F80 I81 M88 F93 L139 H140 I141F35-M66 HydrophobicContact CE1-SD 4.17Å; F35-M66 HydrophobicContact CZ-SD 4.38Å; I64-M66 HydrophobicContact CG2-CE 3.85Å; M66-F80 WeakPolarHBondContact O-CA 3.35Å; M66-I81 HydrophobicContact CG-CB 3.59Å; M66-I81 HydrophobicContact CG-CD1 4.44Å; M66-I81 HydrophobicContact CG-CG1 4.35Å; M66-I81 HydrophobicContact CG-CG2 4.23Å; M66-I81 PolarHBondContact N-O 3.1Å; M66-I81 PolarHBondContact O-N 3.35Å; M66-I81 HydrophobicContact SD-CB 4.08Å; M66-I81 HydrophobicContact SD-CD1 4.07Å; M66-I81 HydrophobicContact SD-CG2 4.28Å; M66-M88 HydrophobicContact CE-CE 4.4Å; M66-M88 HydrophobicContact CE-SD 3.15Å; M66-M88 WeakPolarHBondContact CE-SD 3.44Å; M66-M88 HydrophobicContact SD-SD 4.29Å; M66-F93 HydrophobicContact CE-CE1 3.94Å; M66-F93 HydrophobicContact CE-CZ 3.66Å; M66-L139 HydrophobicContact CB-CD1 4.37Å; M66-L139 HydrophobicContact CB-CG 4.44Å; M66-L139 HydrophobicContact CG-CD1 4.42Å; M66-L139 HydrophobicContact SD-CD1 4.28Å; M66-L139 HydrophobicContact SD-CD2 3.87Å; M66-L139 HydrophobicContact SD-CG 4.46Å; M66-H140 CarbonylContact C-O 3.53Å; M66-H140 WeakPolarHBondContact CA-O 3.32Å; M66-H140 WeakPolarHBondContact CB-O 3.38Å; M66-I141 HydrophobicContact CB-CB 4.38Å; M66-I141 HydrophobicContact CB-CG1 3.91Å; M66-I141 HydrophobicContact CB-CG2 4.46Å
67W92.5Very high88.5Confident34 Ų3455 Ų5513%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-151.6153.9169.865.496.9000112.8K65 R78 G79 F80 H140K65-W67 HydrophobicContact CD-CE3 4.36Å; K65-W67 HydrophobicContact CD-CZ3 3.92Å; K65-W67 HydrophobicContact CG-CE3 4.14Å; K65-W67 HydrophobicContact CG-CZ3 4.08Å; W67-R78 HydrophobicContact CB-CG 4.12Å; W67-R78 HydrophobicContact CG-CG 4.21Å; W67-G79 WeakPolarHBondContact CA-O 3.22Å; W67-G79 WeakPolarHBondContact CB-O 3.4Å; W67-F80 HydrophobicContact CB-CD1 3.76Å; W67-F80 HydrophobicContact CB-CE1 3.97Å; W67-F80 HydrophobicContact CB-CG 4.16Å; W67-F80 HydrophobicContact CD2-CD1 4.48Å; W67-F80 HydrophobicContact CD2-CE1 4.11Å; W67-F80 HydrophobicContact CE3-CD1 4.47Å; W67-F80 HydrophobicContact CE3-CE1 4.32Å; W67-F80 HydrophobicContact CG-CD1 4.27Å; W67-F80 HydrophobicContact CG-CE1 4.02Å; W67-H140 HydrophobicContact CD2-CB 4.02Å; W67-H140 AromaticContact CD2-ND1 3.79Å; W67-H140 AromaticContact CE2-CG 3.93Å; W67-H140 AromaticContact CE2-ND1 3.22Å; W67-H140 HydrophobicContact CE3-CB 4.42Å; W67-H140 AromaticContact CE3-ND1 3.81Å; W67-H140 HydrophobicContact CG-CB 4.41Å; W67-H140 AromaticContact CH2-CE1 3.32Å; W67-H140 WeakPolarHBondContact CH2-CE1 3.38Å; W67-H140 AromaticContact CH2-ND1 2.86Å; W67-H140 WeakPolarHBondContact CH2-ND1 3.08Å; W67-H140 HydrophobicContact CZ2-CB 4.37Å; W67-H140 AromaticContact CZ2-CE1 3.44Å; W67-H140 VanDerWaalsContact CZ2-CE1 3.44Å; W67-H140 WeakPolarHBondContact CZ2-CE1 3.44Å; W67-H140 AromaticContact CZ2-CG 3.88Å; W67-H140 AromaticContact CZ2-ND1 2.79Å; W67-H140 WeakPolarHBondContact CZ2-ND1 3.42Å; W67-H140 AromaticContact CZ3-ND1 3.35Å; W67-H140 WeakPolarHBondContact CZ3-ND1 3.43Å; W67-H140 PolarHBondContact N-O 3.04Å; W67-H140 AromaticContact NE1-ND1 3.97Å; W67-H140 PolarHBondContact O-N 2.92Å
68E89Confident88.2Confident27 Ų2758.6 Ų58.613%0.12633%0.329CS..EExtended strand (participates in β ladder)trans-118.8143.7169.169.1-168.8154.800109.8Y24 R78 G79 K114 L139Y24-E68 PolarHBondContact OH-OE1 3.03Å; E68-R78 WeakPolarHBondContact O-CA 3.29Å; E68-G79 PolarHBondContact N-O 3.47Å; E68-G79 PolarHBondContact O-N 3.09Å; E68-K114 IonicContact OE2-NZ 3.62Å; E68-K114 PolarHBondContact OE2-NZ 2.66Å; E68-L139 HydrophobicContact CB-CD1 4.03Å
69D85.7Confident88Confident74 Ų7453.7 Ų53.740%0.39630%0.303SS..EExtended strand (participates in β ladder)trans-96.4122.4168.6-73.8-42.8000107.6R78D69-R78 WeakPolarHBondContact OD1-CG 3.4Å; D69-R78 IonicContact OD1-CZ 3.26Å; D69-R78 VanDerWaalsContact OD1-CZ 3.26Å; D69-R78 IonicContact OD1-NE 2.66Å; D69-R78 PolarHBondContact OD1-NE 3.16Å; D69-R78 IonicContact OD1-NH2 3.03Å; D69-R78 PolarHBondContact OD1-NH2 3.16Å; D69-R78 IonicContact OD2-CZ 3.73Å; D69-R78 IonicContact OD2-NE 3.66Å; D69-R78 IonicContact OD2-NH2 2.92Å; D69-R78 PolarHBondContact OD2-NH2 2.85Å
70T79.6Confident88Confident47 Ų4754 Ų5429%0.28830%0.304SS..EExtended strand (participates in β ladder)trans-132.9171.1178.9-164.90000110.4P76 F77T70-P76 WeakPolarHBondContact O-CA 3.31Å; T70-F77 HydrophobicContact CG2-CB 3.99Å; T70-F77 PolarHBondContact N-O 2.85Å; T70-F77 PolarHBondContact O-N 2.86Å; T70-F77 VanDerWaalsContact O-O 3.12Å
71T80.4Confident88.1Confident84 Ų8450.8 Ų50.852%0.51528%0.281SS..EExtended strand (participates in β ladder)trans-123.1119.9174.8-58.60000108.6G74 M75T71-G74 VanDerWaalsContact CG2-CA 3.48Å; T71-M75 CarbonylContact C-O 3.53Å; T71-M75 WeakPolarHBondContact CA-O 3.44Å
72L78.5Confident88.3Confident101 Ų10149.4 Ų49.453%0.52927%0.271SS..EExtended strand (participates in β ladder)trans-115.3120.4175.3-178.365.5000108.2G74 M75 F77L72-G74 PolarHBondContact O-N 2.9Å; L72-M75 PolarHBondContact N-O 2.85Å; L72-M75 PolarHBondContact O-N 3.18Å; L72-F77 HydrophobicContact CB-CD2 3.56Å; L72-F77 HydrophobicContact CB-CE2 3.79Å; L72-F77 HydrophobicContact CB-CG 4.45Å; L72-F77 HydrophobicContact CD2-CE2 4.27Å; L72-F77 HydrophobicContact CG-CE2 4.42Å
73L85.4Confident88.4Confident160 Ų16049.4 Ų49.484%0.83827%0.272SS*.THydrogen-bonded Turntrans54.935.4-177.8-57.6173.6000113.6M75L73-M75 PolarHBondContact O-N 2.87Å
74G83.1Confident88.4Confident66 Ų6649.6 Ų49.668%0.6827%0.273SS*.THydrogen-bonded Turntrans78.9-4-177.900000114.9T71 L72T71-G74 VanDerWaalsContact CG2-CA 3.48Å; L72-G74 PolarHBondContact O-N 2.9Å
75M80.7Confident88.4Confident105 Ų10550.7 Ų50.752%0.51728%0.277SS..EExtended strand (participates in β ladder)trans-95.6134.4175.6-62.5-172.5-6800110.3T71 L72 L73 F77T71-M75 CarbonylContact C-O 3.53Å; T71-M75 WeakPolarHBondContact CA-O 3.44Å; L72-M75 PolarHBondContact N-O 2.85Å; L72-M75 PolarHBondContact O-N 3.18Å; L73-M75 PolarHBondContact O-N 2.87Å; M75-F77 HydrophobicContact CB-CD2 4.3Å; M75-F77 HydrophobicContact CB-CE2 3.82Å; M75-F77 HydrophobicContact CE-CE2 4.11Å; M75-F77 HydrophobicContact CE-CZ 4.26Å; M75-F77 WeakPolarHBondContact O-CD2 3.33Å; M75-F77 PolarHBondContact O-N 2.87Å
76P83.4Confident88.3Confident114 Ų11453.7 Ų53.774%0.7429%0.294SS*.EExtended strand (participates in β ladder)trans-69131174.829.1-33.2000109.9T70T70-P76 WeakPolarHBondContact O-CA 3.31Å
77F83.3Confident88.3Confident87 Ų8756.3 Ų56.338%0.38231%0.312SS..EExtended strand (participates in β ladder)trans-124.8136.5174.1-81.5-88.7000109.5T70 L72 M75T70-F77 HydrophobicContact CG2-CB 3.99Å; T70-F77 PolarHBondContact N-O 2.85Å; T70-F77 PolarHBondContact O-N 2.86Å; T70-F77 VanDerWaalsContact O-O 3.12Å; L72-F77 HydrophobicContact CB-CD2 3.56Å; L72-F77 HydrophobicContact CB-CE2 3.79Å; L72-F77 HydrophobicContact CB-CG 4.45Å; L72-F77 HydrophobicContact CD2-CE2 4.27Å; L72-F77 HydrophobicContact CG-CE2 4.42Å; M75-F77 HydrophobicContact CB-CD2 4.3Å; M75-F77 HydrophobicContact CB-CE2 3.82Å; M75-F77 HydrophobicContact CE-CE2 4.11Å; M75-F77 HydrophobicContact CE-CZ 4.26Å; M75-F77 WeakPolarHBondContact O-CD2 3.33Å; M75-F77 PolarHBondContact O-N 2.87Å
78R87.9Confident88.3Confident111 Ų11155.2 Ų55.242%0.41931%0.309SS..EExtended strand (participates in β ladder)trans-113.5129.4171.4-176.4173-73.3160.7-2108.8W67 E68 D69 F80W67-R78 HydrophobicContact CB-CG 4.12Å; W67-R78 HydrophobicContact CG-CG 4.21Å; E68-R78 WeakPolarHBondContact O-CA 3.29Å; D69-R78 WeakPolarHBondContact OD1-CG 3.4Å; D69-R78 IonicContact OD1-CZ 3.26Å; D69-R78 VanDerWaalsContact OD1-CZ 3.26Å; D69-R78 IonicContact OD1-NE 2.66Å; D69-R78 PolarHBondContact OD1-NE 3.16Å; D69-R78 IonicContact OD1-NH2 3.03Å; D69-R78 PolarHBondContact OD1-NH2 3.16Å; D69-R78 IonicContact OD2-CZ 3.73Å; D69-R78 IonicContact OD2-NE 3.66Å; D69-R78 IonicContact OD2-NH2 2.92Å; D69-R78 PolarHBondContact OD2-NH2 2.85Å; R78-F80 HydrophobicContact CB-CE2 4.15Å; R78-F80 VanDerWaalsContact CD-CE2 3.48Å; R78-F80 HydrophobicContact CG-CD2 4.1Å; R78-F80 HydrophobicContact CG-CE2 3.48Å; R78-F80 VanDerWaalsContact CG-CE2 3.48Å; R78-F80 HydrophobicContact CG-CZ 3.74Å
79G89.9Confident88.6Confident1 Ų154.3 Ų54.31%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-115.8132.6177.200000113.9W67 E68W67-G79 WeakPolarHBondContact CA-O 3.22Å; W67-G79 WeakPolarHBondContact CB-O 3.4Å; E68-G79 PolarHBondContact N-O 3.47Å; E68-G79 PolarHBondContact O-N 3.09Å
80F93.1Very high88.9Confident8 Ų855 Ų554%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-110.3141.3-175.4-66.9-95.6000111.4M20 S21 D46 M66 W67 R78M20-F80 CarbonylContact C-O 3.17Å; M20-F80 WeakPolarHBondContact CA-O 3.34Å; S21-F80 PolarHBondContact N-O 3.2Å; S21-F80 PolarHBondContact OG-N 3.02Å; S21-F80 PolarHBondContact OG-O 3.38Å; D46-F80 HydrophobicContact CB-CD2 3.74Å; D46-F80 HydrophobicContact CB-CE2 3.65Å; D46-F80 HydrophobicContact CB-CG 4.46Å; D46-F80 HydrophobicContact CB-CZ 4.35Å; D46-F80 VanDerWaalsContact CG-CE2 3.46Å; D46-F80 WeakPolarHBondContact OD1-CD2 3.06Å; M66-F80 WeakPolarHBondContact O-CA 3.35Å; W67-F80 HydrophobicContact CB-CD1 3.76Å; W67-F80 HydrophobicContact CB-CE1 3.97Å; W67-F80 HydrophobicContact CB-CG 4.16Å; W67-F80 HydrophobicContact CD2-CD1 4.48Å; W67-F80 HydrophobicContact CD2-CE1 4.11Å; W67-F80 HydrophobicContact CE3-CD1 4.47Å; W67-F80 HydrophobicContact CE3-CE1 4.32Å; W67-F80 HydrophobicContact CG-CD1 4.27Å; W67-F80 HydrophobicContact CG-CE1 4.02Å; R78-F80 HydrophobicContact CB-CE2 4.15Å; R78-F80 VanDerWaalsContact CD-CE2 3.48Å; R78-F80 HydrophobicContact CG-CD2 4.1Å; R78-F80 HydrophobicContact CG-CE2 3.48Å; R78-F80 VanDerWaalsContact CG-CE2 3.48Å; R78-F80 HydrophobicContact CG-CZ 3.74Å
81I94.8Very high89.4Confident5 Ų558.7 Ų58.73%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-132.9130.4172.7-56176.9000107.6M20 Y24 F35 M66 M88M20-I81 HydrophobicContact CE-CD1 4.43Å; M20-I81 HydrophobicContact CE-CG2 3.65Å; M20-I81 HydrophobicContact CG-CB 4.22Å; M20-I81 HydrophobicContact CG-CG1 3.95Å; M20-I81 HydrophobicContact CG-CG2 3.91Å; M20-I81 HydrophobicContact SD-CG1 4.45Å; M20-I81 HydrophobicContact SD-CG2 4.46Å; Y24-I81 HydrophobicContact CD2-CD1 4.39Å; Y24-I81 HydrophobicContact CD2-CG1 4.04Å; Y24-I81 HydrophobicContact CE1-CD1 4.48Å; Y24-I81 HydrophobicContact CE2-CD1 3.85Å; Y24-I81 HydrophobicContact CE2-CG1 3.53Å; F35-I81 HydrophobicContact CD1-CD1 4.49Å; F35-I81 HydrophobicContact CE1-CD1 3.81Å; F35-I81 HydrophobicContact CE1-CG2 4.31Å; F35-I81 HydrophobicContact CZ-CD1 3.88Å; M66-I81 HydrophobicContact CG-CB 3.59Å; M66-I81 HydrophobicContact CG-CD1 4.44Å; M66-I81 HydrophobicContact CG-CG1 4.35Å; M66-I81 HydrophobicContact CG-CG2 4.23Å; M66-I81 PolarHBondContact N-O 3.1Å; M66-I81 PolarHBondContact O-N 3.35Å; M66-I81 HydrophobicContact SD-CB 4.08Å; M66-I81 HydrophobicContact SD-CD1 4.07Å; M66-I81 HydrophobicContact SD-CG2 4.28Å; I81-M88 HydrophobicContact CG2-CE 4.07Å; I81-M88 HydrophobicContact CG2-CG 4.46Å; I81-M88 HydrophobicContact CG2-SD 3.92Å
82R95Very high90Very high4 Ų455.7 Ų55.72%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-132.3145.2179.9-61.8-174.4-161-127.1-1.6110.6Y17 S18 C19 C45 D46 I64 K65 N150 G151Y17-R82 CarbonylContact O-C 3.58Å; Y17-R82 VanDerWaalsContact O-C 3.32Å; Y17-R82 WeakPolarHBondContact O-CB 3.39Å; S18-R82 WeakPolarHBondContact CA-O 3.34Å; C19-R82 PolarHBondContact N-O 3.21Å; C19-R82 VanDerWaalsContact N-O 3.16Å; C19-R82 PolarHBondContact O-N 3.27Å; C45-R82 PolarHBondContact O-NE 3.16Å; C45-R82 PolarHBondContact O-NH2 2.92Å; D46-R82 PolarHBondContact O-NH2 2.99Å; I64-R82 WeakPolarHBondContact O-CA 3.38Å; K65-R82 HydrophobicContact CB-CG 4.41Å; K65-R82 HydrophobicContact CG-CG 4.31Å; R82-N150 WeakPolarHBondContact CD-O 3.35Å; R82-N150 PolarHBondContact NH1-O 3.4Å; R82-G151 VanDerWaalsContact NH1-C 3.27Å; R82-G151 PolarHBondContact NH1-O 3.28Å
83G95.2Very high90.7Very high4 Ų451 Ų514%0.04129%0.286CS..EExtended strand (participates in β ladder)trans167.1-159.4177.300000112.6Y17 I64Y17-G83 WeakPolarHBondContact O-CA 3.36Å; Y17-G83 PolarHBondContact O-N 3.47Å; Y17-G83 VanDerWaalsContact O-N 3.16Å; I64-G83 PolarHBondContact N-O 3.1Å; I64-G83 PolarHBondContact O-N 3.19Å; I64-G83 VanDerWaalsContact O-N 3.15Å
84C96Very high91Very high4 Ų445 Ų453%0.02726%0.255CS..EExtended strand (participates in β ladder)trans-85.6139.8176.5-51.40000111.5V57 C59 D86 S87 M88V57-C84 WeakPolarHBondContact CG2-SG 3.32Å; C59-C84 WeakPolarHBondContact CA-SG 2.86Å; C59-C84 HydrophobicContact CB-CB 3.53Å; C59-C84 WeakPolarHBondContact CB-SG 2.79Å; C59-C84 WeakPolarHBondContact SG-CA 3.34Å; C59-C84 WeakPolarHBondContact SG-CB 3.43Å; C59-C84 CovalentContact SG-SG 2.01Å; C59-C84 PolarHBondContact SG-SG 3.15Å; C84-D86 VanDerWaalsContact C-N 3.28Å; C84-D86 VanDerWaalsContact CB-OD1 3.28Å; C84-D86 WeakPolarHBondContact CB-OD1 3.44Å; C84-D86 PolarHBondContact O-N 3.03Å; C84-S87 WeakPolarHBondContact CB-OG 3.43Å; C84-M88 WeakPolarHBondContact O-CB 3.02Å; C84-M88 PolarHBondContact O-N 2.67Å; C84-M88 VanDerWaalsContact O-N 3.09Å
85Y94.2Very high91.5Very high23 Ų2345.9 Ų45.99%0.0924%0.242CC..THydrogen-bonded Turntrans-55.5-43.6172.3160.4-103.3000113V62 I64 S87 F93 Q95 V98 W103 L104V62-Y85 HydrophobicContact CG2-CG 4.2Å; V62-Y85 PolarHBondContact O-N 3.15Å; I64-Y85 HydrophobicContact CD1-CD2 3.75Å; I64-Y85 HydrophobicContact CD1-CG 4.16Å; Y85-S87 PolarHBondContact O-N 3.11Å; Y85-F93 AromaticContact CD2-CD2 3.55Å; Y85-F93 HydrophobicContact CD2-CD2 3.55Å; Y85-F93 AromaticContact CD2-CE2 3.93Å; Y85-F93 HydrophobicContact CD2-CE2 3.93Å; Y85-F93 HydrophobicContact CD2-CG 4.43Å; Y85-F93 HydrophobicContact CE2-CB 4.07Å; Y85-F93 AromaticContact CE2-CD2 3.57Å; Y85-F93 HydrophobicContact CE2-CD2 3.57Å; Y85-F93 HydrophobicContact CE2-CE2 4.4Å; Y85-F93 HydrophobicContact CE2-CG 4.14Å; Y85-Q95 PolarHBondContact OH-NE2 3.04Å; Y85-Q95 VanDerWaalsContact OH-NE2 3.07Å; Y85-Q95 PolarHBondContact OH-OE1 2.97Å; Y85-V98 HydrophobicContact CE2-CG1 4.06Å; Y85-V98 HydrophobicContact CE2-CG2 3.69Å; Y85-V98 WeakPolarHBondContact OH-CG1 3.4Å; Y85-W103 HydrophobicContact CD2-CE3 4.01Å; Y85-W103 HydrophobicContact CD2-CZ3 4.29Å; Y85-W103 HydrophobicContact CE2-CE3 4.04Å; Y85-W103 HydrophobicContact CE2-CZ3 4.35Å; Y85-L104 HydrophobicContact CD1-CD2 3.75Å; Y85-L104 HydrophobicContact CE1-CD1 4.11Å; Y85-L104 HydrophobicContact CE1-CD2 3.89Å; Y85-L104 HydrophobicContact CE1-CG 4.47Å; Y85-L104 HydrophobicContact CG-CD2 4.28Å
86D92.4Very high92Very high68 Ų6845.8 Ų45.836%0.36425%0.247SC..THydrogen-bonded Turntrans-74.4-21.2-171.651.8-52.7000114.6S60 S61 C84S60-D86 PolarHBondContact N-OD2 3.46Å; S60-D86 PolarHBondContact OG-OD2 3.05Å; S61-D86 VanDerWaalsContact OG-CG 3.3Å; S61-D86 PolarHBondContact OG-N 2.67Å; S61-D86 PolarHBondContact OG-OD1 3.3Å; C84-D86 VanDerWaalsContact C-N 3.28Å; C84-D86 VanDerWaalsContact CB-OD1 3.28Å; C84-D86 WeakPolarHBondContact CB-OD1 3.44Å; C84-D86 PolarHBondContact O-N 3.03Å
87S93.3Very high92.4Very high56 Ų5641.2 Ų41.239%0.39222%0.216SC..THydrogen-bonded Turntrans-125-5.5-174.3660000114.8T36 C84 Y85T36-S87 WeakPolarHBondContact CB-O 3.42Å; T36-S87 PolarHBondContact OG1-O 2.76Å; C84-S87 WeakPolarHBondContact CB-OG 3.43Å; Y85-S87 PolarHBondContact O-N 3.11Å
88M93.9Very high92.8Very high10 Ų1037.2 Ų37.25%0.04920%0.199CC..SBendtrans-67.6-36.9-175.8176.1179.5-6700113.8F35 T36 I64 M66 I81 C84 F93F35-M88 WeakPolarHBondContact CA-O 3.42Å; F35-M88 HydrophobicContact CD1-CG 4.06Å; F35-M88 HydrophobicContact CE1-CG 4.25Å; T36-M88 PolarHBondContact N-O 2.75Å; I64-M88 HydrophobicContact CB-CE 3.78Å; I64-M88 HydrophobicContact CB-SD 4.47Å; I64-M88 HydrophobicContact CG2-CE 3.75Å; I64-M88 HydrophobicContact CG2-SD 4Å; M66-M88 HydrophobicContact CE-CE 4.4Å; M66-M88 HydrophobicContact CE-SD 3.15Å; M66-M88 WeakPolarHBondContact CE-SD 3.44Å; M66-M88 HydrophobicContact SD-SD 4.29Å; I81-M88 HydrophobicContact CG2-CE 4.07Å; I81-M88 HydrophobicContact CG2-CG 4.46Å; I81-M88 HydrophobicContact CG2-SD 3.92Å; C84-M88 WeakPolarHBondContact O-CB 3.02Å; C84-M88 PolarHBondContact O-N 2.67Å; C84-M88 VanDerWaalsContact O-N 3.09Å; M88-F93 HydrophobicContact SD-CZ 4.08Å
89L94.1Very high93Very high9 Ų941 Ų415%0.04721%0.213CC..BIsolated β-bridgetrans-108.5137178.3-65.4-178.2000110.7A34 F35 Q91 G92 F93 L118A34-L89 CarbonylContact O-C 3.45Å; A34-L89 WeakPolarHBondContact O-CA 2.94Å; A34-L89 WeakPolarHBondContact O-CD2 3.36Å; F35-L89 HydrophobicContact CD1-CD2 3.53Å; F35-L89 HydrophobicContact CD2-CD2 4.24Å; F35-L89 HydrophobicContact CE1-CD2 3.46Å; F35-L89 VanDerWaalsContact CE1-CD2 3.46Å; F35-L89 HydrophobicContact CE2-CD2 4.17Å; F35-L89 HydrophobicContact CG-CD2 3.94Å; F35-L89 HydrophobicContact CZ-CD2 3.8Å; L89-Q91 VanDerWaalsContact C-N 3.27Å; L89-Q91 PolarHBondContact O-N 2.79Å; L89-G92 PolarHBondContact O-N 2.78Å; L89-G92 VanDerWaalsContact O-N 3.16Å; L89-F93 HydrophobicContact CD1-CB 4.49Å; L89-F93 HydrophobicContact CD1-CD1 3.46Å; L89-F93 VanDerWaalsContact CD1-CD1 3.46Å; L89-F93 HydrophobicContact CD1-CD2 3.96Å; L89-F93 HydrophobicContact CD1-CE1 3.5Å; L89-F93 VanDerWaalsContact CD1-CE1 3.5Å; L89-F93 HydrophobicContact CD1-CE2 3.97Å; L89-F93 HydrophobicContact CD1-CG 3.72Å; L89-F93 HydrophobicContact CD1-CZ 3.76Å; L89-F93 HydrophobicContact CG-CD2 4.42Å; L89-F93 HydrophobicContact CG-CE1 4.18Å; L89-F93 HydrophobicContact CG-CE2 4.07Å; L89-F93 HydrophobicContact CG-CZ 3.95Å; L89-L118 HydrophobicContact CD1-CD2 3.84Å; L89-L118 HydrophobicContact CD2-CD2 4.24Å
90V92.4Very high93Very high89 Ų8950.3 Ų50.354%0.53925%0.248SC..SBendtrans-61.1-38.5179.81780000111.4A34A34-V90 PolarHBondContact O-N 2.87Å
91Q90.7Very high92.9Very high124 Ų12453.5 Ų53.558%0.57926%0.26SS*.SBendtrans-97.7-3.2179.1-62.1-177.40.200113.2L89L89-Q91 VanDerWaalsContact C-N 3.27Å; L89-Q91 PolarHBondContact O-N 2.79Å
92G92.7Very high92.7Very high20 Ų2059.5 Ų59.521%0.20628%0.283CS..  trans75174.3-170.400000113.8L89L89-G92 PolarHBondContact O-N 2.78Å; L89-G92 VanDerWaalsContact O-N 3.16Å
93F92.6Very high92.4Very high3 Ų359.3 Ų59.31%0.01328%0.282CS..  trans-83.1160.9175.7-69.4-85.8000111.9I64 M66 Y85 M88 L89 Q95 V98 W103 V117 L118 I141I64-F93 HydrophobicContact CD1-CE2 3.73Å; I64-F93 HydrophobicContact CD1-CZ 3.88Å; M66-F93 HydrophobicContact CE-CE1 3.94Å; M66-F93 HydrophobicContact CE-CZ 3.66Å; Y85-F93 AromaticContact CD2-CD2 3.55Å; Y85-F93 HydrophobicContact CD2-CD2 3.55Å; Y85-F93 AromaticContact CD2-CE2 3.93Å; Y85-F93 HydrophobicContact CD2-CE2 3.93Å; Y85-F93 HydrophobicContact CD2-CG 4.43Å; Y85-F93 HydrophobicContact CE2-CB 4.07Å; Y85-F93 AromaticContact CE2-CD2 3.57Å; Y85-F93 HydrophobicContact CE2-CD2 3.57Å; Y85-F93 HydrophobicContact CE2-CE2 4.4Å; Y85-F93 HydrophobicContact CE2-CG 4.14Å; M88-F93 HydrophobicContact SD-CZ 4.08Å; L89-F93 HydrophobicContact CD1-CB 4.49Å; L89-F93 HydrophobicContact CD1-CD1 3.46Å; L89-F93 VanDerWaalsContact CD1-CD1 3.46Å; L89-F93 HydrophobicContact CD1-CD2 3.96Å; L89-F93 HydrophobicContact CD1-CE1 3.5Å; L89-F93 VanDerWaalsContact CD1-CE1 3.5Å; L89-F93 HydrophobicContact CD1-CE2 3.97Å; L89-F93 HydrophobicContact CD1-CG 3.72Å; L89-F93 HydrophobicContact CD1-CZ 3.76Å; L89-F93 HydrophobicContact CG-CD2 4.42Å; L89-F93 HydrophobicContact CG-CE1 4.18Å; L89-F93 HydrophobicContact CG-CE2 4.07Å; L89-F93 HydrophobicContact CG-CZ 3.95Å; F93-Q95 PolarHBondContact O-N 3.03Å; F93-Q95 PolarHBondContact O-NE2 3.43Å; F93-V98 HydrophobicContact CB-CG2 3.81Å; F93-W103 HydrophobicContact CB-CZ3 4.31Å; F93-W103 AromaticContact CD1-CH2 3.86Å; F93-W103 HydrophobicContact CD1-CH2 3.86Å; F93-W103 AromaticContact CD1-CZ3 3.74Å; F93-W103 HydrophobicContact CD1-CZ3 3.74Å; F93-W103 HydrophobicContact CD2-CZ3 4.17Å; F93-W103 HydrophobicContact CE1-CH2 4.13Å; F93-W103 HydrophobicContact CE1-CZ3 4.01Å; F93-W103 HydrophobicContact CE2-CZ3 4.44Å; F93-W103 HydrophobicContact CG-CH2 4.33Å; F93-W103 AromaticContact CG-CZ3 3.81Å; F93-W103 HydrophobicContact CG-CZ3 3.81Å; F93-W103 HydrophobicContact CZ-CZ3 4.36Å; F93-V117 HydrophobicContact CD1-CG2 4.13Å; F93-L118 HydrophobicContact CD1-CD2 4.27Å; F93-L118 HydrophobicContact CE1-CD2 3.75Å; F93-I141 HydrophobicContact CE1-CD1 4.4Å
94N92.7Very high92.1Very high35 Ų3562.6 Ų62.619%0.18730%0.298CS..  trans-60.5106.5171.3-170.7-28.6000111.9T96 I97 V98 E116 V117 Q119N94-T96 PolarHBondContact O-N 2.97Å; N94-T96 VanDerWaalsContact O-N 3.15Å; N94-T96 WeakPolarHBondContact OD1-CB 3.42Å; N94-T96 PolarHBondContact OD1-N 3.04Å; N94-T96 VanDerWaalsContact OD1-N 3.15Å; N94-I97 HydrophobicContact CB-CB 4.42Å; N94-I97 HydrophobicContact CB-CD1 4.12Å; N94-I97 HydrophobicContact CB-CG1 4.26Å; N94-I97 PolarHBondContact O-N 3.04Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 3.16Å; N94-V98 VanDerWaalsContact O-N 3.1Å; N94-E116 VanDerWaalsContact CB-O 3.31Å; N94-E116 WeakPolarHBondContact CB-O 3.5Å; N94-E116 PolarHBondContact ND2-O 3.22Å; N94-V117 PolarHBondContact N-O 2.95Å; N94-Q119 HydrophobicContact CB-CG 3.96Å
95Q92.6Very high91.6Very high84 Ų8468.4 Ų68.439%0.39333%0.325SS..Hα-helixtrans-61.6-27.3-173.5-63.6-57.2-53.400113.6Y85 F93 R99Y85-Q95 PolarHBondContact OH-NE2 3.04Å; Y85-Q95 VanDerWaalsContact OH-NE2 3.07Å; Y85-Q95 PolarHBondContact OH-OE1 2.97Å; F93-Q95 PolarHBondContact O-N 3.03Å; F93-Q95 PolarHBondContact O-NE2 3.43Å; Q95-R99 WeakPolarHBondContact O-CB 3.38Å; Q95-R99 VanDerWaalsContact O-CG 3.24Å; Q95-R99 WeakPolarHBondContact O-CG 3.28Å; Q95-R99 PolarHBondContact O-N 2.81Å
96T92.5Very high91.3Very high103 Ų10374.4 Ų74.463%0.63235%0.347SS*.Hα-helixtrans-65-44.8175.1-56.70000110.7N94 W100N94-T96 PolarHBondContact O-N 2.97Å; N94-T96 VanDerWaalsContact O-N 3.15Å; N94-T96 WeakPolarHBondContact OD1-CB 3.42Å; N94-T96 PolarHBondContact OD1-N 3.04Å; N94-T96 VanDerWaalsContact OD1-N 3.15Å; T96-W100 VanDerWaalsContact O-CB 3.26Å; T96-W100 WeakPolarHBondContact O-CB 3.35Å; T96-W100 PolarHBondContact O-N 3.15Å
97I91.4Very high91.2Very high17 Ų1774.2 Ų74.29%0.08735%0.346CS..Hα-helixtrans-66.1-48178-64.3178.2000110.1N94 R99 W100 Y101 W103 Y112 E116 V117N94-I97 HydrophobicContact CB-CB 4.42Å; N94-I97 HydrophobicContact CB-CD1 4.12Å; N94-I97 HydrophobicContact CB-CG1 4.26Å; N94-I97 PolarHBondContact O-N 3.04Å; I97-R99 VanDerWaalsContact C-N 3.29Å; I97-R99 PolarHBondContact O-N 2.01Å; I97-W100 PolarHBondContact O-N 3.24Å; I97-Y101 HydrophobicContact CG2-CD2 3.78Å; I97-Y101 HydrophobicContact CG2-CE2 4.19Å; I97-Y101 WeakPolarHBondContact O-CD2 3.08Å; I97-Y101 PolarHBondContact O-N 2.87Å; I97-W103 HydrophobicContact CG2-CZ2 4.25Å; I97-Y112 HydrophobicContact CG2-CD1 3.69Å; I97-Y112 HydrophobicContact CG2-CE1 3.45Å; I97-Y112 VanDerWaalsContact CG2-CE1 3.45Å; I97-E116 HydrophobicContact CD1-CB 4.07Å; I97-V117 HydrophobicContact CD1-CB 4.12Å; I97-V117 HydrophobicContact CD1-CG2 4.37Å; I97-V117 HydrophobicContact CG2-CG2 4.25Å
98V91.3Very high91Very high4 Ų471.9 Ų71.92%0.02433%0.33CS..Hα-helixtrans-53.9-46.7179.1173.80000111.3Y85 F93 N94 R102 W103 L104Y85-V98 HydrophobicContact CE2-CG1 4.06Å; Y85-V98 HydrophobicContact CE2-CG2 3.69Å; Y85-V98 WeakPolarHBondContact OH-CG1 3.4Å; F93-V98 HydrophobicContact CB-CG2 3.81Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 3.16Å; N94-V98 VanDerWaalsContact O-N 3.1Å; V98-R102 WeakPolarHBondContact O-CA 3.24Å; V98-R102 PolarHBondContact O-N 2.79Å; V98-W103 HydrophobicContact CG1-CB 4.08Å; V98-W103 HydrophobicContact CG2-CD2 4.25Å; V98-W103 HydrophobicContact CG2-CE3 3.88Å; V98-W103 HydrophobicContact CG2-CZ3 4.18Å; V98-W103 PolarHBondContact O-N 3.32Å; V98-W103 VanDerWaalsContact O-N 3.13Å; V98-L104 HydrophobicContact CG1-CD1 4.22Å; V98-L104 HydrophobicContact CG1-CG 4.16Å
99R92.1Very high90.9Very high190 Ų19073.5 Ų73.572%0.71734%0.342SS*.Hα-helixtrans-68.8-47179.7-73175.1-176.4-179.91.4111.8Q95 I97 Y101 R102Q95-R99 WeakPolarHBondContact O-CB 3.38Å; Q95-R99 VanDerWaalsContact O-CG 3.24Å; Q95-R99 WeakPolarHBondContact O-CG 3.28Å; Q95-R99 PolarHBondContact O-N 2.81Å; I97-R99 VanDerWaalsContact C-N 3.29Å; I97-R99 PolarHBondContact O-N 2.01Å; R99-Y101 PolarHBondContact O-N 2.96Å; R99-R102 PolarHBondContact O-N 2.98Å
100W91Very high90.8Very high196 Ų19676 Ų7674%0.74235%0.353SS*.Hα-helixtrans-65.1-42.1-175.3-169.930.9000112.2T96 I97 R102T96-W100 VanDerWaalsContact O-CB 3.26Å; T96-W100 WeakPolarHBondContact O-CB 3.35Å; T96-W100 PolarHBondContact O-N 3.15Å; I97-W100 PolarHBondContact O-N 3.24Å; W100-R102 VanDerWaalsContact C-N 3.31Å
101Y89.3Confident90.7Very high76 Ų7677.7 Ų77.730%0.29835%0.353SS..THydrogen-bonded Turntrans-87.30.8177.1-70.6-89.3000113.8I97 R99 W103 H110 Y112I97-Y101 HydrophobicContact CG2-CD2 3.78Å; I97-Y101 HydrophobicContact CG2-CE2 4.19Å; I97-Y101 WeakPolarHBondContact O-CD2 3.08Å; I97-Y101 PolarHBondContact O-N 2.87Å; R99-Y101 PolarHBondContact O-N 2.96Å; Y101-W103 VanDerWaalsContact C-N 3.31Å; Y101-W103 PolarHBondContact O-N 2.62Å; Y101-H110 AromaticContact CD1-CD2 3.92Å; Y101-Y112 VanDerWaalsContact CB-OH 3.31Å; Y101-Y112 WeakPolarHBondContact CB-OH 3.38Å; Y101-Y112 HydrophobicContact CD1-CE1 4.17Å; Y101-Y112 WeakPolarHBondContact CD1-OH 3.24Å; Y101-Y112 AromaticContact CD2-CE1 3.67Å; Y101-Y112 HydrophobicContact CD2-CE1 3.67Å; Y101-Y112 HydrophobicContact CE1-CE1 4.25Å; Y101-Y112 AromaticContact CE2-CE1 3.76Å; Y101-Y112 HydrophobicContact CE2-CE1 3.76Å; Y101-Y112 AromaticContact CG-CE1 3.87Å; Y101-Y112 HydrophobicContact CG-CE1 3.87Å; Y101-Y112 VanDerWaalsContact CG-OH 3.23Å
102R90.6Very high90.7Very high130 Ų13072.2 Ų72.249%0.49133%0.327SS..THydrogen-bonded Turntrans55.642173.2-54.5172.462.4119.60.9113.3V98 R99 W100 L104 H105V98-R102 WeakPolarHBondContact O-CA 3.24Å; V98-R102 PolarHBondContact O-N 2.79Å; R99-R102 PolarHBondContact O-N 2.98Å; W100-R102 VanDerWaalsContact C-N 3.31Å; R102-L104 PolarHBondContact O-N 3.02Å; R102-H105 HydrophobicContact CB-CB 4.14Å; R102-H105 PolarHBondContact O-N 2.92Å
103W90Very high90.5Very high0 Ų073 Ų730%033%0.327CS..THydrogen-bonded Turntrans-54.1-25.7-178.3-76.314.4000114.4I64 Y85 F93 I97 V98 Y101 Y112 V117 I141 T143 Y145I64-W103 HydrophobicContact CD1-CE3 4.28Å; I64-W103 HydrophobicContact CD1-CZ3 4.08Å; Y85-W103 HydrophobicContact CD2-CE3 4.01Å; Y85-W103 HydrophobicContact CD2-CZ3 4.29Å; Y85-W103 HydrophobicContact CE2-CE3 4.04Å; Y85-W103 HydrophobicContact CE2-CZ3 4.35Å; F93-W103 HydrophobicContact CB-CZ3 4.31Å; F93-W103 AromaticContact CD1-CH2 3.86Å; F93-W103 HydrophobicContact CD1-CH2 3.86Å; F93-W103 AromaticContact CD1-CZ3 3.74Å; F93-W103 HydrophobicContact CD1-CZ3 3.74Å; F93-W103 HydrophobicContact CD2-CZ3 4.17Å; F93-W103 HydrophobicContact CE1-CH2 4.13Å; F93-W103 HydrophobicContact CE1-CZ3 4.01Å; F93-W103 HydrophobicContact CE2-CZ3 4.44Å; F93-W103 HydrophobicContact CG-CH2 4.33Å; F93-W103 AromaticContact CG-CZ3 3.81Å; F93-W103 HydrophobicContact CG-CZ3 3.81Å; F93-W103 HydrophobicContact CZ-CZ3 4.36Å; I97-W103 HydrophobicContact CG2-CZ2 4.25Å; V98-W103 HydrophobicContact CG1-CB 4.08Å; V98-W103 HydrophobicContact CG2-CD2 4.25Å; V98-W103 HydrophobicContact CG2-CE3 3.88Å; V98-W103 HydrophobicContact CG2-CZ3 4.18Å; V98-W103 PolarHBondContact O-N 3.32Å; V98-W103 VanDerWaalsContact O-N 3.13Å; Y101-W103 VanDerWaalsContact C-N 3.31Å; Y101-W103 PolarHBondContact O-N 2.62Å; W103-Y112 AromaticContact CE2-CE2 3.97Å; W103-Y112 AromaticContact CE2-CZ 3.83Å; W103-Y112 HydrophobicContact CZ2-CD2 4Å; W103-Y112 HydrophobicContact CZ2-CE1 4.25Å; W103-Y112 AromaticContact CZ2-CE2 3.49Å; W103-Y112 HydrophobicContact CZ2-CE2 3.49Å; W103-Y112 VanDerWaalsContact CZ2-CE2 3.49Å; W103-Y112 AromaticContact CZ2-CZ 3.65Å; W103-Y112 AromaticContact NE1-CE2 3.88Å; W103-Y112 AromaticContact NE1-CZ 3.4Å; W103-Y112 PolarHBondContact NE1-OH 3.4Å; W103-V117 HydrophobicContact CH2-CG2 3.59Å; W103-V117 HydrophobicContact CZ2-CG2 3.92Å; W103-I141 HydrophobicContact CH2-CB 4.39Å; W103-I141 HydrophobicContact CH2-CD1 3.54Å; W103-I141 HydrophobicContact CH2-CG2 3.82Å; W103-I141 HydrophobicContact CZ2-CB 4.35Å; W103-I141 HydrophobicContact CZ2-CD1 3.95Å; W103-I141 HydrophobicContact CZ2-CG2 4.08Å; W103-I141 HydrophobicContact CZ3-CG2 4.19Å; W103-T143 HydrophobicContact CB-CG2 3.94Å; W103-T143 HydrophobicContact CD2-CG2 3.96Å; W103-T143 HydrophobicContact CE3-CG2 4Å; W103-T143 HydrophobicContact CG-CG2 3.95Å; W103-T143 WeakPolarHBondContact O-CB 3.01Å; W103-T143 PolarHBondContact O-OG1 2.62Å; W103-Y145 PolarHBondContact O-OH 3.44Å
104L88.5Confident90.3Very high74 Ų7475.3 Ų75.339%0.38734%0.337SS..THydrogen-bonded Turntrans-100.77.3-177.6-55.5-179.4000114.5V62 Y85 V98 R102 Y145V62-L104 HydrophobicContact CG1-CD2 3.95Å; V62-L104 HydrophobicContact CG2-CD2 3.79Å; Y85-L104 HydrophobicContact CD1-CD2 3.75Å; Y85-L104 HydrophobicContact CE1-CD1 4.11Å; Y85-L104 HydrophobicContact CE1-CD2 3.89Å; Y85-L104 HydrophobicContact CE1-CG 4.47Å; Y85-L104 HydrophobicContact CG-CD2 4.28Å; V98-L104 HydrophobicContact CG1-CD1 4.22Å; V98-L104 HydrophobicContact CG1-CG 4.16Å; R102-L104 PolarHBondContact O-N 3.02Å; L104-Y145 WeakPolarHBondContact CA-OH 3.43Å; L104-Y145 PolarHBondContact N-OH 2.8Å; L104-Y145 PolarHBondContact O-OH 3.2Å
105H86Confident89.9Confident126 Ų12677.1 Ų77.158%0.58334%0.344SS*.THydrogen-bonded Turntrans-114.6-23176.4-58.771.4000115.6R102 Y145R102-H105 HydrophobicContact CB-CB 4.14Å; R102-H105 PolarHBondContact O-N 2.92Å; H105-Y145 PolarHBondContact N-OH 3.49Å
106R86.8Confident89.6Confident149 Ų14978.7 Ų78.756%0.56235%0.352SS*.SBendtrans-158.6160.5-177.864.4179-175.4-173.53.6111.3S108 Y145R106-S108 PolarHBondContact O-N 2.57Å; R106-Y145 PolarHBondContact N-OH 2.91Å; R106-Y145 WeakPolarHBondContact O-CE2 3.42Å; R106-Y145 PolarHBondContact O-OH 3.42Å
107D89.9Confident89.6Confident63 Ų6373.8 Ų73.834%0.33732%0.322SS..  trans-56.8127.2167-64.3-11.4000108.5T143 C144 Y145D107-T143 WeakPolarHBondContact CA-O 3.11Å; D107-C144 WeakPolarHBondContact OD1-CA 3.49Å; D107-C144 WeakPolarHBondContact OD1-CB 3.08Å; D107-Y145 VanDerWaalsContact OD1-CD2 3.32Å; D107-Y145 WeakPolarHBondContact OD1-CD2 3.49Å
108S89.4Confident89.4Confident8 Ų873.5 Ų73.56%0.05632%0.32CS..EExtended strand (participates in β ladder)trans-145.4144.3-177.468.50000109.8R106 C142 T143R106-S108 PolarHBondContact O-N 2.57Å; S108-C142 CarbonylContact O-C 3.47Å; S108-C142 WeakPolarHBondContact O-CA 3.32Å; S108-T143 PolarHBondContact N-O 2.97Å; S108-T143 PolarHBondContact O-N 3.3Å; S108-T143 PolarHBondContact OG-OG1 3.3Å; S108-T143 VanDerWaalsContact OG-OG1 3.07Å
109C93Very high89Confident43 Ų4377.1 Ų77.129%0.29134%0.337SS..EExtended strand (participates in β ladder)trans-137.3122.5175.2-75.60000108.2I141 C142C109-I141 WeakPolarHBondContact CA-O 3.05Å; C109-C142 HydrophobicContact CB-CB 4.15Å; C109-C142 WeakPolarHBondContact CB-SG 3.03Å; C109-C142 WeakPolarHBondContact SG-CB 3.34Å; C109-C142 CovalentContact SG-SG 2.04Å; C109-C142 PolarHBondContact SG-SG 3.07Å
110H91.7Very high88.1Confident61 Ų6170 Ų7028%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-148.5155.3-177.1-65.9-71.4000110.5Y101 Y112 H140 I141Y101-H110 AromaticContact CD1-CD2 3.92Å; H110-Y112 HydrophobicContact CB-CD2 4.38Å; H110-Y112 HydrophobicContact CB-CE1 4.28Å; H110-Y112 HydrophobicContact CB-CE2 3.51Å; H110-Y112 VanDerWaalsContact CB-CZ 3.44Å; H110-Y112 VanDerWaalsContact CB-OH 3.24Å; H110-Y112 WeakPolarHBondContact CB-OH 3.38Å; H110-Y112 PolarHBondContact CD2-OH 3.39Å; H110-Y112 WeakPolarHBondContact O-CD2 3.31Å; H110-Y112 WeakPolarHBondContact O-CE2 3.43Å; H110-H140 VanDerWaalsContact C-CD2 3.49Å; H110-H140 PolarHBondContact O-CD2 3.14Å; H110-I141 PolarHBondContact N-O 2.9Å; H110-I141 PolarHBondContact O-N 3.49Å
111F91Very high86.9Confident125 Ų12564 Ų6455%0.54830%0.299SS..EExtended strand (participates in β ladder)trans-89.4137.2170-65-88.3000109.7M138 H140F111-M138 HydrophobicContact CB-CE 3.53Å; F111-H140 HydrophobicContact CD1-CB 3.75Å; F111-H140 AromaticContact CD1-CD2 3.62Å; F111-H140 AromaticContact CD1-CG 3.95Å; F111-H140 AromaticContact CD2-CD2 3.62Å; F111-H140 HydrophobicContact CE1-CB 3.63Å; F111-H140 AromaticContact CE1-CD2 3.55Å; F111-H140 AromaticContact CE1-CG 3.67Å; F111-H140 AromaticContact CE2-CD2 3.54Å; F111-H140 AromaticContact CE2-NE2 3.8Å; F111-H140 AromaticContact CG-CD2 3.66Å; F111-H140 HydrophobicContact CZ-CB 4.35Å; F111-H140 AromaticContact CZ-CD2 3.5Å; F111-H140 AromaticContact CZ-CG 3.9Å; F111-H140 AromaticContact CZ-NE2 3.96Å
112Y90.7Very high85.6Confident9 Ų964.8 Ų64.84%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-129.1150.4-179.1-63.8-76.1000110.3I97 Y101 W103 H110 K114 V117 M138 L139 I141I97-Y112 HydrophobicContact CG2-CD1 3.69Å; I97-Y112 HydrophobicContact CG2-CE1 3.45Å; I97-Y112 VanDerWaalsContact CG2-CE1 3.45Å; Y101-Y112 VanDerWaalsContact CB-OH 3.31Å; Y101-Y112 WeakPolarHBondContact CB-OH 3.38Å; Y101-Y112 HydrophobicContact CD1-CE1 4.17Å; Y101-Y112 WeakPolarHBondContact CD1-OH 3.24Å; Y101-Y112 AromaticContact CD2-CE1 3.67Å; Y101-Y112 HydrophobicContact CD2-CE1 3.67Å; Y101-Y112 HydrophobicContact CE1-CE1 4.25Å; Y101-Y112 AromaticContact CE2-CE1 3.76Å; Y101-Y112 HydrophobicContact CE2-CE1 3.76Å; Y101-Y112 AromaticContact CG-CE1 3.87Å; Y101-Y112 HydrophobicContact CG-CE1 3.87Å; Y101-Y112 VanDerWaalsContact CG-OH 3.23Å; W103-Y112 AromaticContact CE2-CE2 3.97Å; W103-Y112 AromaticContact CE2-CZ 3.83Å; W103-Y112 HydrophobicContact CZ2-CD2 4Å; W103-Y112 HydrophobicContact CZ2-CE1 4.25Å; W103-Y112 AromaticContact CZ2-CE2 3.49Å; W103-Y112 HydrophobicContact CZ2-CE2 3.49Å; W103-Y112 VanDerWaalsContact CZ2-CE2 3.49Å; W103-Y112 AromaticContact CZ2-CZ 3.65Å; W103-Y112 AromaticContact NE1-CE2 3.88Å; W103-Y112 AromaticContact NE1-CZ 3.4Å; W103-Y112 PolarHBondContact NE1-OH 3.4Å; H110-Y112 HydrophobicContact CB-CD2 4.38Å; H110-Y112 HydrophobicContact CB-CE1 4.28Å; H110-Y112 HydrophobicContact CB-CE2 3.51Å; H110-Y112 VanDerWaalsContact CB-CZ 3.44Å; H110-Y112 VanDerWaalsContact CB-OH 3.24Å; H110-Y112 WeakPolarHBondContact CB-OH 3.38Å; H110-Y112 PolarHBondContact CD2-OH 3.39Å; H110-Y112 WeakPolarHBondContact O-CD2 3.31Å; H110-Y112 WeakPolarHBondContact O-CE2 3.43Å; Y112-K114 PolarHBondContact O-N 2.94Å; Y112-V117 HydrophobicContact CG-CB 4.42Å; Y112-V117 HydrophobicContact CG-CG2 4.21Å; Y112-M138 WeakPolarHBondContact O-CA 2.99Å; Y112-L139 PolarHBondContact N-O 2.94Å; Y112-L139 PolarHBondContact O-N 2.04Å; Y112-I141 HydrophobicContact CD2-CB 3.85Å; Y112-I141 HydrophobicContact CD2-CD1 3.71Å; Y112-I141 HydrophobicContact CD2-CG1 3.85Å; Y112-I141 HydrophobicContact CE2-CB 3.92Å; Y112-I141 HydrophobicContact CE2-CD1 4.36Å; Y112-I141 HydrophobicContact CE2-CG1 4.42Å; Y112-I141 HydrophobicContact CG-CD1 4.38Å
113N88.5Confident84Confident37 Ų3766.4 Ų66.420%0.19831%0.314CS..EExtended strand (participates in β ladder)trans-67.4122.6163.1-174.1-67.4000108.8Q115 E116 V117N113-Q115 VanDerWaalsContact C-N 3.29Å; N113-Q115 PolarHBondContact O-N 2.97Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.26Å; N113-Q115 PolarHBondContact OD1-N 3.05Å; N113-E116 HydrophobicContact CB-CB 4.24Å; N113-E116 HydrophobicContact CB-CG 3.97Å; N113-E116 PolarHBondContact O-N 3.07Å; N113-E116 PolarHBondContact OD1-N 3.29Å; N113-V117 WeakPolarHBondContact O-CG1 3.39Å; N113-V117 PolarHBondContact O-N 3.24Å; N113-V117 VanDerWaalsContact O-N 3.1Å
114K88.3Confident82.2Confident52 Ų5271.5 Ų71.523%0.22634%0.342CS..Hα-helixtrans-56.8-40.7-176.4-179.2168.455.8-170.80112.5E68 Y112 E116 L118 L120 Q137 L139E68-K114 IonicContact OE2-NZ 3.62Å; E68-K114 PolarHBondContact OE2-NZ 2.66Å; Y112-K114 PolarHBondContact O-N 2.94Å; K114-E116 VanDerWaalsContact C-N 3.35Å; K114-L118 HydrophobicContact CD-CD1 4.23Å; K114-L118 HydrophobicContact CG-CD1 3.63Å; K114-L118 HydrophobicContact CG-CG 4.23Å; K114-L118 VanDerWaalsContact O-CB 3.31Å; K114-L118 WeakPolarHBondContact O-CB 3.44Å; K114-L118 WeakPolarHBondContact O-CG 3.41Å; K114-L118 PolarHBondContact O-N 3.42Å; K114-L118 VanDerWaalsContact O-N 3.12Å; K114-L120 HydrophobicContact CG-CD1 4.25Å; K114-Q137 VanDerWaalsContact CB-O 3.26Å; K114-Q137 WeakPolarHBondContact CB-O 3.05Å; K114-Q137 PolarHBondContact N-O 2.88Å; K114-L139 HydrophobicContact CB-CB 4.3Å
115Q84.1Confident80.3Confident72 Ų7278 Ų7834%0.33636%0.361SS..Hα-helixtrans-68.8-35.7-177.6-59.3-175.113.800111.8N113 Q119N113-Q115 VanDerWaalsContact C-N 3.29Å; N113-Q115 PolarHBondContact O-N 2.97Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.26Å; N113-Q115 PolarHBondContact OD1-N 3.05Å; Q115-Q119 PolarHBondContact O-N 3.09Å
116E86.2Confident78.5Confident118 Ų11880.4 Ų80.455%0.55137%0.373SS*.Hα-helixtrans-75.3-41.2-179-63.5-176.9166.500112.7N94 I97 N113 K114N94-E116 VanDerWaalsContact CB-O 3.31Å; N94-E116 WeakPolarHBondContact CB-O 3.5Å; N94-E116 PolarHBondContact ND2-O 3.22Å; I97-E116 HydrophobicContact CD1-CB 4.07Å; N113-E116 HydrophobicContact CB-CB 4.24Å; N113-E116 HydrophobicContact CB-CG 3.97Å; N113-E116 PolarHBondContact O-N 3.07Å; N113-E116 PolarHBondContact OD1-N 3.29Å; K114-E116 VanDerWaalsContact C-N 3.35Å
117V91Very high76.6Confident0 Ų075 Ų750%036%0.358CS..Hα-helixtrans-81.5-40.2-173.474.30000113.1F93 N94 I97 W103 Y112 N113 L139 I141F93-V117 HydrophobicContact CD1-CG2 4.13Å; N94-V117 PolarHBondContact N-O 2.95Å; I97-V117 HydrophobicContact CD1-CB 4.12Å; I97-V117 HydrophobicContact CD1-CG2 4.37Å; I97-V117 HydrophobicContact CG2-CG2 4.25Å; W103-V117 HydrophobicContact CH2-CG2 3.59Å; W103-V117 HydrophobicContact CZ2-CG2 3.92Å; Y112-V117 HydrophobicContact CG-CB 4.42Å; Y112-V117 HydrophobicContact CG-CG2 4.21Å; N113-V117 WeakPolarHBondContact O-CG1 3.39Å; N113-V117 PolarHBondContact O-N 3.24Å; N113-V117 VanDerWaalsContact O-N 3.1Å; V117-L139 HydrophobicContact CG1-CD2 4.16Å; V117-I141 HydrophobicContact CB-CD1 4.5Å; V117-I141 HydrophobicContact CG1-CD1 3.95Å; V117-I141 HydrophobicContact CG2-CD1 3.76Å
118L89Confident74.5Confident10 Ų1081.2 Ų81.25%0.05238%0.377CS..Hα-helixtrans-88.3-9.3-177.9-58.6-173000113.6F35 L89 F93 K114 L120 L139F35-L118 HydrophobicContact CE2-CD1 4.2Å; F35-L118 HydrophobicContact CZ-CD1 3.89Å; F35-L118 HydrophobicContact CZ-CD2 4.33Å; L89-L118 HydrophobicContact CD1-CD2 3.84Å; L89-L118 HydrophobicContact CD2-CD2 4.24Å; F93-L118 HydrophobicContact CD1-CD2 4.27Å; F93-L118 HydrophobicContact CE1-CD2 3.75Å; K114-L118 HydrophobicContact CD-CD1 4.23Å; K114-L118 HydrophobicContact CG-CD1 3.63Å; K114-L118 HydrophobicContact CG-CG 4.23Å; K114-L118 VanDerWaalsContact O-CB 3.31Å; K114-L118 WeakPolarHBondContact O-CB 3.44Å; K114-L118 WeakPolarHBondContact O-CG 3.41Å; K114-L118 PolarHBondContact O-N 3.42Å; K114-L118 VanDerWaalsContact O-N 3.12Å; L118-L120 HydrophobicContact CB-CD1 4.49Å; L118-L120 HydrophobicContact CB-CD2 3.78Å; L118-L120 HydrophobicContact CB-CG 3.78Å; L118-L120 HydrophobicContact CD1-CD1 4.32Å; L118-L120 HydrophobicContact CD1-CD2 4.09Å; L118-L120 HydrophobicContact CD1-CG 4.35Å; L118-L120 PolarHBondContact O-N 3.01Å; L118-L120 VanDerWaalsContact O-N 3.12Å; L118-L139 HydrophobicContact CD1-CD2 3.98Å; L118-L139 HydrophobicContact CD2-CD2 3.82Å; L118-L139 HydrophobicContact CG-CD2 3.96Å
119Q81.1Confident72.4Confident81 Ų8188.3 Ų88.338%0.37941%0.414SS..  trans48.440.5-178.3-57.9-171.8-25.400113.3N94 Q115N94-Q119 HydrophobicContact CB-CG 3.96Å; Q115-Q119 PolarHBondContact O-N 3.09Å
120L74.8Confident70.2Confident40 Ų4095.7 Ų95.721%0.20944%0.436CS..  trans-58.1139.1-170.9-63.2174.4000111.6A34 K114 L118 F122A34-L120 HydrophobicContact CB-CD2 3.58Å; K114-L120 HydrophobicContact CG-CD1 4.25Å; L118-L120 HydrophobicContact CB-CD1 4.49Å; L118-L120 HydrophobicContact CB-CD2 3.78Å; L118-L120 HydrophobicContact CB-CG 3.78Å; L118-L120 HydrophobicContact CD1-CD1 4.32Å; L118-L120 HydrophobicContact CD1-CD2 4.09Å; L118-L120 HydrophobicContact CD1-CG 4.35Å; L118-L120 PolarHBondContact O-N 3.01Å; L118-L120 VanDerWaalsContact O-N 3.12Å; L120-F122 PolarHBondContact O-N 3.05Å
121P64.8Low68.1Low69 Ų69101 Ų10145%0.44846%0.46SS..SBendtrans-69-18.5-179.628-34.5000112.5K123P121-K123 PolarHBondContact O-N 2.92Å
122F62.5Low65.9Low93 Ų9399.5 Ų99.541%0.40846%0.458SS..  trans-88.777.5177.5-50.6-74.9000109.6L120 D124L120-F122 PolarHBondContact O-N 3.05Å; F122-D124 PolarHBondContact O-N 2.91Å
123K56.7Low64Low164 Ų164105.5 Ų105.571%0.71349%0.491SS*.  trans-79.997.9161.2-80.1-174172.2-178.60107.2P121 R125P121-K123 PolarHBondContact O-N 2.92Å; K123-R125 PolarHBondContact O-N 2.94Å
124D52.5Low62.2Low108 Ų108105 Ų10558%0.57849%0.49SS*.  trans-53.5107.6166.2-70.5-22.8000107F122 E126 S127F122-D124 PolarHBondContact O-N 2.91Å; D124-E126 PolarHBondContact O-N 3.23Å; D124-S127 WeakPolarHBondContact CB-OG 3.23Å; D124-S127 PolarHBondContact O-N 2.88Å
125R48.1Very low60.5Low210 Ų210107.1 Ų107.179%0.79251%0.509SS*.G310 helixtrans-58.1-21-178.7-84.1-177.2163.7148.1-3.7111.7K123K123-R125 PolarHBondContact O-N 2.94Å
126E47.7Very low59.4Low176 Ų176107.3 Ų107.382%0.82251%0.513SS*.G310 helixtrans-82.5-18.2-179.5-157.3159.315900113.7D124 R128D124-E126 PolarHBondContact O-N 3.23Å; E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 3.26Å
127S48.1Very low59Low37 Ų37103.9 Ų103.926%0.25950%0.497SS..G310 helixtrans-79.9-8175.6-48.90000113.7D124 D129 R130D124-S127 WeakPolarHBondContact CB-OG 3.23Å; D124-S127 PolarHBondContact O-N 2.88Å; S127-D129 PolarHBondContact O-N 3.02Å; S127-R130 PolarHBondContact O-N 2.58Å
128R46.1Very low58.8Low193 Ų193107.6 Ų107.673%0.72852%0.515SS*.G310 helixtrans-65-25.4177.4-84.1-167-68.3-174.71.7113.2E126E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 3.26Å
129D45.3Very low58.9Low156 Ų156107.3 Ų107.383%0.83451%0.513SS*.SBendtrans-100.5-8.4-179.2-62.9-31.1000113.3S127S127-D129 PolarHBondContact O-N 3.02Å
130R46.1Very low59.4Low199 Ų199104.5 Ų104.575%0.75150%0.5SS*.  trans-107.887.1169.1-92-176.7174.7164.4-0.8109.4S127 D132S127-R130 PolarHBondContact O-N 2.58Å; R130-D132 PolarHBondContact O-N 2.9Å
131H47.5Very low60.3Low172 Ų172102.7 Ų102.780%0.79649%0.49SS*.  trans-69.651.4160.2-145.591.8000109.8N133H131-N133 PolarHBondContact O-N 3.16Å
132D45.5Very low61.8Low93 Ų9399.4 Ų99.450%0.49747%0.469SS..  trans-85.7110.4175.1-169.813.7000106.7R130 S134 Q137R130-D132 PolarHBondContact O-N 2.9Å; D132-S134 PolarHBondContact O-N 2.78Å; D132-Q137 PolarHBondContact O-OE1 3.42Å
133N50.4Low63.3Low136 Ų13695 Ų9573%0.72745%0.45SS*.  trans-65.151.3166.1-76.2-45.8000109.8H131H131-N133 PolarHBondContact O-N 3.16Å
134S50.1Low65Low27 Ų2787.3 Ų87.319%0.18942%0.417CS..  trans-68.6130.7-177.2-168.80000107.5D132 N136 Q137D132-S134 PolarHBondContact O-N 2.78Å; S134-N136 PolarHBondContact O-N 3Å; S134-Q137 WeakPolarHBondContact O-CB 3.39Å; S134-Q137 PolarHBondContact O-N 3.3Å
135P53Low66.8Low96 Ų9686.1 Ų86.162%0.62341%0.405SS*.G310 helixtrans-54.4-24.7-179.919.1-30.7000112.7Q137 M138P135-Q137 PolarHBondContact O-N 2.01Å; P135-Q137 VanDerWaalsContact O-N 3.12Å; P135-M138 PolarHBondContact O-N 2.01Å; P135-M138 VanDerWaalsContact O-N 3.11Å
136N61.5Low68.8Low76 Ų7679.8 Ų79.841%0.40639%0.393SS..G310 helixtrans-65.1-9.1174.7-65-27.4000114.7S134S134-N136 PolarHBondContact O-N 3Å
137Q76.9Confident70.8Confident46 Ų4677.4 Ų77.422%0.21538%0.382CS..G310 helixtrans-97.3-6.3176.1-62-166.2-13.700113.4K114 D132 S134 P135K114-Q137 VanDerWaalsContact CB-O 3.26Å; K114-Q137 WeakPolarHBondContact CB-O 3.05Å; K114-Q137 PolarHBondContact N-O 2.88Å; D132-Q137 PolarHBondContact O-OE1 3.42Å; S134-Q137 WeakPolarHBondContact O-CB 3.39Å; S134-Q137 PolarHBondContact O-N 3.3Å; P135-Q137 PolarHBondContact O-N 2.01Å; P135-Q137 VanDerWaalsContact O-N 3.12Å
138M86.9Confident72.7Confident77 Ų7776.3 Ų76.338%0.37938%0.376SS..EExtended strand (participates in β ladder)trans-91.5131.6-177.3-62.2-61.5-75.400111.1F111 Y112 P135F111-M138 HydrophobicContact CB-CE 3.53Å; Y112-M138 WeakPolarHBondContact O-CA 2.99Å; P135-M138 PolarHBondContact O-N 2.01Å; P135-M138 VanDerWaalsContact O-N 3.11Å
139L90.6Very high74.9Confident4 Ų468.1 Ų68.12%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-117.6123.8175.2-174.367.6000108.5M66 E68 Y112 K114 V117 L118 I141M66-L139 HydrophobicContact CB-CD1 4.37Å; M66-L139 HydrophobicContact CB-CG 4.44Å; M66-L139 HydrophobicContact CG-CD1 4.42Å; M66-L139 HydrophobicContact SD-CD1 4.28Å; M66-L139 HydrophobicContact SD-CD2 3.87Å; M66-L139 HydrophobicContact SD-CG 4.46Å; E68-L139 HydrophobicContact CB-CD1 4.03Å; Y112-L139 PolarHBondContact N-O 2.94Å; Y112-L139 PolarHBondContact O-N 2.04Å; K114-L139 HydrophobicContact CB-CB 4.3Å; V117-L139 HydrophobicContact CG1-CD2 4.16Å; L118-L139 HydrophobicContact CD1-CD2 3.98Å; L118-L139 HydrophobicContact CD2-CD2 3.82Å; L118-L139 HydrophobicContact CG-CD2 3.96Å; L139-I141 HydrophobicContact CD2-CD1 3.84Å; L139-I141 HydrophobicContact CD2-CG1 3.98Å; L139-I141 HydrophobicContact CG-CD1 4.25Å; L139-I141 HydrophobicContact CG-CG1 3.89Å
140H92.4Very high77.1Confident23 Ų2360.7 Ų60.711%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-89.7121.1175.3-165.9-126.4000109.2M66 W67 H110 F111M66-H140 CarbonylContact C-O 3.53Å; M66-H140 WeakPolarHBondContact CA-O 3.32Å; M66-H140 WeakPolarHBondContact CB-O 3.38Å; W67-H140 HydrophobicContact CD2-CB 4.02Å; W67-H140 AromaticContact CD2-ND1 3.79Å; W67-H140 AromaticContact CE2-CG 3.93Å; W67-H140 AromaticContact CE2-ND1 3.22Å; W67-H140 HydrophobicContact CE3-CB 4.42Å; W67-H140 AromaticContact CE3-ND1 3.81Å; W67-H140 HydrophobicContact CG-CB 4.41Å; W67-H140 AromaticContact CH2-CE1 3.32Å; W67-H140 WeakPolarHBondContact CH2-CE1 3.38Å; W67-H140 AromaticContact CH2-ND1 2.86Å; W67-H140 WeakPolarHBondContact CH2-ND1 3.08Å; W67-H140 HydrophobicContact CZ2-CB 4.37Å; W67-H140 AromaticContact CZ2-CE1 3.44Å; W67-H140 VanDerWaalsContact CZ2-CE1 3.44Å; W67-H140 WeakPolarHBondContact CZ2-CE1 3.44Å; W67-H140 AromaticContact CZ2-CG 3.88Å; W67-H140 AromaticContact CZ2-ND1 2.79Å; W67-H140 WeakPolarHBondContact CZ2-ND1 3.42Å; W67-H140 AromaticContact CZ3-ND1 3.35Å; W67-H140 WeakPolarHBondContact CZ3-ND1 3.43Å; W67-H140 PolarHBondContact N-O 3.04Å; W67-H140 AromaticContact NE1-ND1 3.97Å; W67-H140 PolarHBondContact O-N 2.92Å; H110-H140 VanDerWaalsContact C-CD2 3.49Å; H110-H140 PolarHBondContact O-CD2 3.14Å; F111-H140 HydrophobicContact CD1-CB 3.75Å; F111-H140 AromaticContact CD1-CD2 3.62Å; F111-H140 AromaticContact CD1-CG 3.95Å; F111-H140 AromaticContact CD2-CD2 3.62Å; F111-H140 HydrophobicContact CE1-CB 3.63Å; F111-H140 AromaticContact CE1-CD2 3.55Å; F111-H140 AromaticContact CE1-CG 3.67Å; F111-H140 AromaticContact CE2-CD2 3.54Å; F111-H140 AromaticContact CE2-NE2 3.8Å; F111-H140 AromaticContact CG-CD2 3.66Å; F111-H140 HydrophobicContact CZ-CB 4.35Å; F111-H140 AromaticContact CZ-CD2 3.5Å; F111-H140 AromaticContact CZ-CG 3.9Å; F111-H140 AromaticContact CZ-NE2 3.96Å
141I94.2Very high79.1Confident1 Ų151.7 Ų51.71%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-124131.3-176-53.5177000108.7I64 M66 F93 W103 C109 H110 Y112 V117 L139I64-I141 HydrophobicContact CG2-CG2 4.12Å; M66-I141 HydrophobicContact CB-CB 4.38Å; M66-I141 HydrophobicContact CB-CG1 3.91Å; M66-I141 HydrophobicContact CB-CG2 4.46Å; F93-I141 HydrophobicContact CE1-CD1 4.4Å; W103-I141 HydrophobicContact CH2-CB 4.39Å; W103-I141 HydrophobicContact CH2-CD1 3.54Å; W103-I141 HydrophobicContact CH2-CG2 3.82Å; W103-I141 HydrophobicContact CZ2-CB 4.35Å; W103-I141 HydrophobicContact CZ2-CD1 3.95Å; W103-I141 HydrophobicContact CZ2-CG2 4.08Å; W103-I141 HydrophobicContact CZ3-CG2 4.19Å; C109-I141 WeakPolarHBondContact CA-O 3.05Å; H110-I141 PolarHBondContact N-O 2.9Å; H110-I141 PolarHBondContact O-N 3.49Å; Y112-I141 HydrophobicContact CD2-CB 3.85Å; Y112-I141 HydrophobicContact CD2-CD1 3.71Å; Y112-I141 HydrophobicContact CD2-CG1 3.85Å; Y112-I141 HydrophobicContact CE2-CB 3.92Å; Y112-I141 HydrophobicContact CE2-CD1 4.36Å; Y112-I141 HydrophobicContact CE2-CG1 4.42Å; Y112-I141 HydrophobicContact CG-CD1 4.38Å; V117-I141 HydrophobicContact CB-CD1 4.5Å; V117-I141 HydrophobicContact CG1-CD1 3.95Å; V117-I141 HydrophobicContact CG2-CD1 3.76Å; L139-I141 HydrophobicContact CD2-CD1 3.84Å; L139-I141 HydrophobicContact CD2-CG1 3.98Å; L139-I141 HydrophobicContact CG-CD1 4.25Å; L139-I141 HydrophobicContact CG-CG1 3.89Å
142C94.7Very high80.6Confident1 Ų145.3 Ų45.31%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-123.2140.7173.1-64.20000111.7I64 K65 S108 C109 L155I64-C142 WeakPolarHBondContact CA-O 3.45Å; K65-C142 PolarHBondContact N-O 2.93Å; K65-C142 PolarHBondContact O-N 2.92Å; S108-C142 CarbonylContact O-C 3.47Å; S108-C142 WeakPolarHBondContact O-CA 3.32Å; C109-C142 HydrophobicContact CB-CB 4.15Å; C109-C142 WeakPolarHBondContact CB-SG 3.03Å; C109-C142 WeakPolarHBondContact SG-CB 3.34Å; C109-C142 CovalentContact SG-SG 2.04Å; C109-C142 PolarHBondContact SG-SG 3.07Å; C142-L155 HydrophobicContact CB-CB 3.99Å; C142-L155 HydrophobicContact CB-CD1 3.23Å; C142-L155 HydrophobicContact CB-CG 4.22Å
143T94.2Very high81.7Confident1 Ų147.1 Ų47.11%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-120.1148.3176.3660000111.6V62 C63 I64 W103 D107 S108V62-T143 HydrophobicContact CG2-CG2 4.34Å; C63-T143 WeakPolarHBondContact O-CA 3.15Å; I64-T143 HydrophobicContact CD1-CG2 4.28Å; I64-T143 HydrophobicContact CG1-CG2 4.11Å; W103-T143 HydrophobicContact CB-CG2 3.94Å; W103-T143 HydrophobicContact CD2-CG2 3.96Å; W103-T143 HydrophobicContact CE3-CG2 4Å; W103-T143 HydrophobicContact CG-CG2 3.95Å; W103-T143 WeakPolarHBondContact O-CB 3.01Å; W103-T143 PolarHBondContact O-OG1 2.62Å; D107-T143 WeakPolarHBondContact CA-O 3.11Å; S108-T143 PolarHBondContact N-O 2.97Å; S108-T143 PolarHBondContact O-N 3.3Å; S108-T143 PolarHBondContact OG-OG1 3.3Å; S108-T143 VanDerWaalsContact OG-OG1 3.07Å
144C93.5Very high82.2Confident1 Ų143 Ų431%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-159.1165.2177.161.50000115.1V62 C63 D107 C149 N150 L155V62-C144 WeakPolarHBondContact CB-O 3.46Å; C63-C144 PolarHBondContact N-O 2.95Å; C63-C144 PolarHBondContact O-N 3.13Å; D107-C144 WeakPolarHBondContact OD1-CA 3.49Å; D107-C144 WeakPolarHBondContact OD1-CB 3.08Å; C144-C149 HydrophobicContact CB-CB 3.77Å; C144-C149 WeakPolarHBondContact CB-SG 3.1Å; C144-C149 WeakPolarHBondContact SG-CB 3.49Å; C144-C149 CovalentContact SG-SG 2.01Å; C144-C149 PolarHBondContact SG-SG 3.05Å; C144-N150 PolarHBondContact SG-N 3.11Å; C144-L155 HydrophobicContact CB-CD2 3.64Å; C144-L155 WeakPolarHBondContact SG-CD2 2.93Å
145Y90Very high82.6Confident83 Ų8342.2 Ų42.233%0.32523%0.231SC..  trans-123.617.5-164.1-53-108.4000114.6I14 V62 W103 L104 H105 R106 D107I14-Y145 VanDerWaalsContact CD1-O 3.25Å; I14-Y145 WeakPolarHBondContact CD1-O 3.16Å; V62-Y145 HydrophobicContact CB-CE1 4.45Å; V62-Y145 HydrophobicContact CG1-CD1 3.52Å; V62-Y145 HydrophobicContact CG1-CE1 3.15Å; V62-Y145 HydrophobicContact CG1-CE2 4.12Å; V62-Y145 HydrophobicContact CG1-CG 4.19Å; V62-Y145 VanDerWaalsContact CG1-CZ 3.45Å; W103-Y145 PolarHBondContact O-OH 3.44Å; L104-Y145 WeakPolarHBondContact CA-OH 3.43Å; L104-Y145 PolarHBondContact N-OH 2.8Å; L104-Y145 PolarHBondContact O-OH 3.2Å; H105-Y145 PolarHBondContact N-OH 3.49Å; R106-Y145 PolarHBondContact N-OH 2.91Å; R106-Y145 WeakPolarHBondContact O-CE2 3.42Å; R106-Y145 PolarHBondContact O-OH 3.42Å; D107-Y145 VanDerWaalsContact OD1-CD2 3.32Å; D107-Y145 WeakPolarHBondContact OD1-CD2 3.49Å
146S89.4Confident82.1Confident78 Ų7840.8 Ų40.855%0.54522%0.223SC..SBendtrans-118.4150.2175.6-56.90000112.1I14 G148 C149I14-S146 VanDerWaalsContact CD1-CA 3.5Å; I14-S146 WeakPolarHBondContact CD1-O 3.46Å; S146-G148 PolarHBondContact O-N 3.27Å; S146-C149 PolarHBondContact N-SG 2.83Å; S146-C149 WeakPolarHBondContact O-CB 3.49Å; S146-C149 PolarHBondContact O-N 3.06Å; S146-C149 PolarHBondContact O-SG 3.19Å
147H90.2Very high81Confident126 Ų12640.2 Ų40.258%0.58323%0.229SC*.THydrogen-bonded Turntrans-53.3126.8179.4-65.3-97.8000111K13 S15 C149K13-H147 PolarHBondContact O-CE1 3.24Å; S15-H147 PolarHBondContact N-ND1 2.97Å; S15-H147 VanDerWaalsContact N-ND1 3.16Å; S15-H147 CarbonylContact O-C 3.57Å; S15-H147 WeakPolarHBondContact O-CA 3.09Å; S15-H147 PolarHBondContact OG-ND1 3.1Å; H147-C149 PolarHBondContact O-N 3.03Å; H147-C149 VanDerWaalsContact O-N 3.11Å
148G88.4Confident79.2Confident13 Ų1340.7 Ų40.713%0.13424%0.241CC..THydrogen-bonded Turntrans63.211.7-178.300000115.2S15 S146 N150 G151S15-G148 PolarHBondContact O-N 3.04Å; S146-G148 PolarHBondContact O-N 3.27Å; G148-N150 PolarHBondContact O-N 2.9Å; G148-G151 PolarHBondContact O-N 3.47Å
149C91.2Very high77Confident21 Ų2138.8 Ų38.814%0.14224%0.237CC..G310 helixtrans-59.1-36.4-177.661.80000111.8C144 S146 H147 G151 A152 L155C144-C149 HydrophobicContact CB-CB 3.77Å; C144-C149 WeakPolarHBondContact CB-SG 3.1Å; C144-C149 WeakPolarHBondContact SG-CB 3.49Å; C144-C149 CovalentContact SG-SG 2.01Å; C144-C149 PolarHBondContact SG-SG 3.05Å; S146-C149 PolarHBondContact N-SG 2.83Å; S146-C149 WeakPolarHBondContact O-CB 3.49Å; S146-C149 PolarHBondContact O-N 3.06Å; S146-C149 PolarHBondContact O-SG 3.19Å; H147-C149 PolarHBondContact O-N 3.03Å; H147-C149 VanDerWaalsContact O-N 3.11Å; C149-G151 PolarHBondContact O-N 3.49Å; C149-A152 WeakPolarHBondContact O-CB 3.24Å; C149-A152 PolarHBondContact O-N 3.39Å; C149-L155 HydrophobicContact CB-CD2 4.39Å; C149-L155 VanDerWaalsContact O-CD2 3.23Å; C149-L155 WeakPolarHBondContact O-CD2 2.97Å
150N92.4Very high74.8Confident0 Ų041.6 Ų41.60%025%0.254CS..G310 helixtrans-67.10.117872.2-24.3000112.6Y17 C63 I64 K65 R82 C144 G148Y17-N150 PolarHBondContact N-OD1 3.49Å; Y17-N150 PolarHBondContact O-ND2 3.43Å; C63-N150 HydrophobicContact CB-CB 3.56Å; I64-N150 PolarHBondContact O-ND2 2.95Å; K65-N150 HydrophobicContact CB-CB 4.22Å; R82-N150 WeakPolarHBondContact CD-O 3.35Å; R82-N150 PolarHBondContact NH1-O 3.4Å; C144-N150 PolarHBondContact SG-N 3.11Å; G148-N150 PolarHBondContact O-N 2.9Å
151G88.2Confident72.3Confident11 Ų1147.3 Ų47.311%0.11328%0.281CS..G310 helixtrans-81.2-26.1170.100000114.5P48 R82 G148 C149P48-G151 VanDerWaalsContact CG-CA 3.42Å; R82-G151 VanDerWaalsContact NH1-C 3.27Å; R82-G151 PolarHBondContact NH1-O 3.28Å; G148-G151 PolarHBondContact O-N 3.47Å; C149-G151 PolarHBondContact O-N 3.49Å
152A78.5Confident69.6Low38 Ų3854.5 Ų54.531%0.31431%0.308SS..SBendtrans-59149.9-17400000113.3K65 C149K65-A152 PolarHBondContact NZ-O 3.01Å; C149-A152 WeakPolarHBondContact O-CB 3.24Å; C149-A152 PolarHBondContact O-N 3.39Å
153Y69.2Low67.1Low131 Ų13158.7 Ų58.751%0.51434%0.337SS..SBendtrans-61.1-47.7177.7-169.7-89000110.6F47 K65 K191F47-Y153 AromaticContact CD1-CD2 3.71Å; F47-Y153 HydrophobicContact CD1-CD2 3.71Å; F47-Y153 HydrophobicContact CD1-CE2 4.06Å; F47-Y153 AromaticContact CE1-CD2 3.28Å; F47-Y153 HydrophobicContact CE1-CD2 3.28Å; F47-Y153 AromaticContact CE1-CE2 3.21Å; F47-Y153 HydrophobicContact CE1-CE2 3.21Å; F47-Y153 HydrophobicContact CE1-CG 4.49Å; F47-Y153 HydrophobicContact CZ-CD2 4.29Å; F47-Y153 AromaticContact CZ-CE2 3.8Å; F47-Y153 HydrophobicContact CZ-CE2 3.8Å; K65-Y153 PolarHBondContact NZ-O 2.92Å; Y153-K191 WeakPolarHBondContact OH-CE 3.45Å
154S61.5Low65Low49 Ų4965.7 Ų65.734%0.34337%0.368SS..  trans-125.7131174.952.70000109.7S156 A159S154-S156 PolarHBondContact O-N 2.8Å; S154-A159 VanDerWaalsContact OG-CB 3.24Å; S154-A159 WeakPolarHBondContact OG-CB 3.33Å
155L58.2Low62.7Low11 Ų1168.4 Ų68.46%0.05840%0.395CS..  trans-90.423.3175.9-79.3165.2000111.9K65 C142 C144 C149 A157K65-L155 HydrophobicContact CB-CD1 3.91Å; K65-L155 HydrophobicContact CD-CD1 4.17Å; C142-L155 HydrophobicContact CB-CB 3.99Å; C142-L155 HydrophobicContact CB-CD1 3.23Å; C142-L155 HydrophobicContact CB-CG 4.22Å; C144-L155 HydrophobicContact CB-CD2 3.64Å; C144-L155 WeakPolarHBondContact SG-CD2 2.93Å; C149-L155 HydrophobicContact CB-CD2 4.39Å; C149-L155 VanDerWaalsContact O-CD2 3.23Å; C149-L155 WeakPolarHBondContact O-CD2 2.97Å; L155-A157 PolarHBondContact O-N 3.05Å
156S41Very low60.9Low65 Ų6565.7 Ų65.746%0.45539%0.388SS..  trans-77.2125.4171.9-171.10000108.5S154 A158 A159S154-S156 PolarHBondContact O-N 2.8Å; S156-A158 PolarHBondContact O-N 3.33Å; S156-A159 WeakPolarHBondContact O-CB 3.25Å; S156-A159 PolarHBondContact O-N 2.91Å
157A40.3Very low59Low64 Ų6467.9 Ų67.953%0.52939%0.394SS..Hα-helixtrans-50.1-27.1173.500000112.4L155 H161L155-A157 PolarHBondContact O-N 3.05Å; A157-H161 PolarHBondContact O-N 2.97Å; A157-H161 VanDerWaalsContact O-N 3.17Å
158A37.5Very low57.2Low57 Ų5769.6 Ų69.647%0.47140%0.4SS..Hα-helixtrans-64.4-35.3173.500000113.4S156 W162S156-A158 PolarHBondContact O-N 3.33Å; A158-W162 PolarHBondContact O-N 2.94Å
159A41Very low55.5Low37 Ų3772.6 Ų72.631%0.30643%0.431SS..Hα-helixtrans-75.4-31-178.900000112.7S154 S156 S163S154-A159 VanDerWaalsContact OG-CB 3.24Å; S154-A159 WeakPolarHBondContact OG-CB 3.33Å; S156-A159 WeakPolarHBondContact O-CB 3.25Å; S156-A159 PolarHBondContact O-N 2.91Å; A159-S163 PolarHBondContact O-N 2.67Å; A159-S163 PolarHBondContact O-OG 3.38Å
160V44.8Very low53.8Low62 Ų6276.1 Ų76.138%0.37646%0.461SS..Hα-helixtrans-80.1-30178.5-177.50000111.8S163 K164V160-S163 PolarHBondContact O-OG 3.46Å; V160-K164 PolarHBondContact O-N 2.97Å
161H40.3Very low51.9Low143 Ų14379.5 Ų79.566%0.66248%0.482SS*.Hα-helixtrans-74-29.6175.4-161.3-119.5000112.4A157 G165A157-H161 PolarHBondContact O-N 2.97Å; A157-H161 VanDerWaalsContact O-N 3.17Å; H161-G165 PolarHBondContact O-N 3.45Å
162W37.8Very low50.6Low153 Ų15382.6 Ų82.658%0.5850%0.5SS*.Hα-helixtrans-84.4-29.7-178.8-75.654.1000113.5A158 K164 G165 C166A158-W162 PolarHBondContact O-N 2.94Å; W162-K164 VanDerWaalsContact C-N 3.34Å; W162-G165 PolarHBondContact O-N 3.37Å; W162-C166 PolarHBondContact O-N 3.08Å
163S42Very low49.7Very low88 Ų8885.4 Ų85.462%0.61552%0.515SS*.Hα-helixtrans-70.4-30.8171.256.70000112.5A159 V160A159-S163 PolarHBondContact O-N 2.67Å; A159-S163 PolarHBondContact O-OG 3.38Å; V160-S163 PolarHBondContact O-OG 3.46Å
164K49.3Very low49.4Very low149 Ų14985.4 Ų85.465%0.64852%0.523SS*.Hα-helixtrans-81.6-18.7168.6-69.2-176.1178.1179.80113.7V160 W162 N167V160-K164 PolarHBondContact O-N 2.97Å; W162-K164 VanDerWaalsContact C-N 3.34Å; K164-N167 WeakPolarHBondContact O-CB 3.37Å
165G45.3Very low49.3Very low57 Ų5787.8 Ų87.859%0.58853%0.531SS*.Hα-helixtrans-76.3-19.9177.900000114.5H161 W162 N167H161-G165 PolarHBondContact O-N 3.45Å; W162-G165 PolarHBondContact O-N 3.37Å; G165-N167 PolarHBondContact O-N 3.34Å
166C53Low49.5Very low26 Ų2689 Ų8918%0.17654%0.539CS..THydrogen-bonded Turntrans-88.626.5172.9-60.10000112.5W162 F168 C179W162-C166 PolarHBondContact O-N 3.08Å; C166-F168 VanDerWaalsContact O-CD2 3.32Å; C166-F168 WeakPolarHBondContact O-CD2 3.19Å; C166-F168 PolarHBondContact O-N 2.85Å; C166-C179 PolarHBondContact SG-SG 2.9Å
167N49.6Very low50.8Low125 Ų12590.2 Ų90.267%0.66854%0.543SS*.  trans-64.9124.5-174-138.9-17.5000111K164 G165 G169K164-N167 WeakPolarHBondContact O-CB 3.37Å; G165-N167 PolarHBondContact O-N 3.34Å; N167-G169 PolarHBondContact O-N 3.2Å
168F51Low52.4Low161 Ų16191.7 Ų91.771%0.70654%0.542SS*.THydrogen-bonded Turntrans-70.826.3-164.1-77.2-96.3000115.3C166C166-F168 VanDerWaalsContact O-CD2 3.32Å; C166-F168 WeakPolarHBondContact O-CD2 3.19Å; C166-F168 PolarHBondContact O-N 2.85Å
169G53.8Low54.1Low76 Ų7691.1 Ų91.178%0.78453%0.534SS*.THydrogen-bonded Turntrans-111.3-14.5-168.400000117.3N167N167-G169 PolarHBondContact O-N 3.2Å
170A55.7Low55.6Low95 Ų9593.2 Ų93.279%0.78554%0.539SS*.SBendtrans-148.811.4-168.100000115.9
171V52.9Low57.1Low71 Ų7192.8 Ų92.843%0.4354%0.539SS..SBendtrans-124.6128.8-170.8-177.30000110L175 T176V171-L175 HydrophobicContact CG1-CB 3.2Å; V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 HydrophobicContact CG1-CG 4.22Å; V171-T176 HydrophobicContact CB-CG2 4.26Å; V171-T176 HydrophobicContact CG1-CG2 4.31Å
172P59.2Low58.8Low76 Ų7690.4 Ų90.449%0.49453%0.531SS..  trans-58.4148.7179.422.5-32.5000111.3I174 L175 T176P172-I174 PolarHBondContact O-N 2.8Å; P172-L175 HydrophobicContact CG-CD1 3.79Å; P172-L175 PolarHBondContact O-N 3.33Å; P172-T176 PolarHBondContact O-N 3.24Å
173P59.9Low60.4Low97 Ų9785 Ų8563%0.6352%0.515SS*.Hα-helixtrans-55.3-32.4-167.718.9-32.1000113.5L175 T176 V177P173-L175 VanDerWaalsContact C-N 3.32Å; P173-L175 PolarHBondContact O-N 2.98Å; P173-T176 PolarHBondContact O-N 3.07Å; P173-T176 PolarHBondContact O-OG1 2.88Å; P173-V177 WeakPolarHBondContact O-CG2 3.41Å; P173-V177 PolarHBondContact O-N 3.25Å
174I62.5Low61.9Low132 Ų13288.1 Ų88.168%0.67752%0.517SS*.Hα-helixtrans-61.7-39.7178.5-58.1169.6000111.7P172 L178P172-I174 PolarHBondContact O-N 2.8Å; I174-L178 HydrophobicContact CG2-CD1 4.4Å; I174-L178 PolarHBondContact O-N 3.24Å
175L60.7Low63.3Low99 Ų9985.4 Ų85.452%0.51851%0.509SS..Hα-helixtrans-75.9-29.2-180-95.5144.4000112.1V171 P172 P173 L178 C179V171-L175 HydrophobicContact CG1-CB 3.2Å; V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 HydrophobicContact CG1-CG 4.22Å; P172-L175 HydrophobicContact CG-CD1 3.79Å; P172-L175 PolarHBondContact O-N 3.33Å; P173-L175 VanDerWaalsContact C-N 3.32Å; P173-L175 PolarHBondContact O-N 2.98Å; L175-L178 PolarHBondContact O-N 2.99Å; L175-C179 WeakPolarHBondContact O-CB 3.32Å; L175-C179 PolarHBondContact O-N 3.37Å
176T61.8Low64.5Low35 Ų3590.1 Ų90.122%0.21551%0.509CS..Hα-helixtrans-66.8-41174.8670000112.1V171 P172 P173 C179 L180V171-T176 HydrophobicContact CB-CG2 4.26Å; V171-T176 HydrophobicContact CG1-CG2 4.31Å; P172-T176 PolarHBondContact O-N 3.24Å; P173-T176 PolarHBondContact O-N 3.07Å; P173-T176 PolarHBondContact O-OG1 2.88Å; T176-C179 PolarHBondContact O-N 3.03Å; T176-L180 WeakPolarHBondContact O-CG 3.42Å; T176-L180 PolarHBondContact O-N 2.66Å
177V69Low65.3Low91 Ų9193.2 Ų93.255%0.55252%0.524SS*.Hα-helixtrans-65.4-42.4176.5176.30000110.6P173 S181P173-V177 WeakPolarHBondContact O-CG2 3.41Å; P173-V177 PolarHBondContact O-N 3.25Å; V177-S181 WeakPolarHBondContact O-CB 3.32Å; V177-S181 PolarHBondContact O-N 3.36Å; V177-S181 PolarHBondContact O-OG 3.24Å
178L74.2Confident66.5Low95 Ų9592.2 Ų92.250%0.49752%0.522SS..Hα-helixtrans-61.6-44.9173.8-105.2141000111.8I174 L175 S181 L182I174-L178 HydrophobicContact CG2-CD1 4.4Å; I174-L178 PolarHBondContact O-N 3.24Å; L175-L178 PolarHBondContact O-N 2.99Å; L178-S181 PolarHBondContact O-N 3.4Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 VanDerWaalsContact O-CG 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.32Å
179C72.3Confident67.5Low45 Ų4590.6 Ų90.630%0.30452%0.52SS..Hα-helixtrans-61.1-47.5178.4-130.60000111.9C166 L175 T176 S181 L182 V183C166-C179 PolarHBondContact SG-SG 2.9Å; L175-C179 WeakPolarHBondContact O-CB 3.32Å; L175-C179 PolarHBondContact O-N 3.37Å; T176-C179 PolarHBondContact O-N 3.03Å; C179-S181 VanDerWaalsContact C-N 3.29Å; C179-S181 PolarHBondContact O-N 3.24Å; C179-L182 PolarHBondContact O-N 2.94Å; C179-V183 VanDerWaalsContact O-CG2 3.32Å; C179-V183 WeakPolarHBondContact O-CG2 3.24Å; C179-V183 PolarHBondContact O-N 3.28Å
180L73.1Confident68Low81 Ų8192 Ų9242%0.42451%0.51SS..Hα-helixtrans-62.2-36.9176.7-71.4169.8000112.4T176 K184T176-L180 WeakPolarHBondContact O-CG 3.42Å; T176-L180 PolarHBondContact O-N 2.66Å; L180-K184 WeakPolarHBondContact O-CG 3.36Å; L180-K184 PolarHBondContact O-N 3.44Å
181S75.4Confident67.9Low53 Ų5397.1 Ų97.137%0.37152%0.515SS..Hα-helixtrans-67.4-44.1177.2-55.90000111.4V177 L178 C179 K184 I185V177-S181 WeakPolarHBondContact O-CB 3.32Å; V177-S181 PolarHBondContact O-N 3.36Å; V177-S181 PolarHBondContact O-OG 3.24Å; L178-S181 PolarHBondContact O-N 3.4Å; C179-S181 VanDerWaalsContact C-N 3.29Å; C179-S181 PolarHBondContact O-N 3.24Å; S181-K184 PolarHBondContact O-N 3.17Å; S181-I185 WeakPolarHBondContact O-CD1 3.16Å; S181-I185 VanDerWaalsContact O-CG1 3.24Å; S181-I185 WeakPolarHBondContact O-CG1 3.44Å; S181-I185 PolarHBondContact O-N 2.7Å
182L76.5Confident68.6Low93 Ų9398.5 Ų98.549%0.48752%0.519SS..Hα-helixtrans-65.2-39.1176.9-69.2172.3000111.9L178 C179 I185 W186L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 VanDerWaalsContact O-CG 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.32Å; C179-L182 PolarHBondContact O-N 2.94Å; L182-I185 PolarHBondContact O-N 2.99Å; L182-W186 WeakPolarHBondContact O-CB 3.39Å; L182-W186 PolarHBondContact O-N 3.24Å
183V72.3Confident69.1Low40 Ų4099.6 Ų99.624%0.24252%0.52CS..Hα-helixtrans-62.4-43.1173.41710000111C179 N187C179-V183 VanDerWaalsContact O-CG2 3.32Å; C179-V183 WeakPolarHBondContact O-CG2 3.24Å; C179-V183 PolarHBondContact O-N 3.28Å; V183-N187 WeakPolarHBondContact O-CB 3.32Å; V183-N187 PolarHBondContact O-N 3.23Å; V183-N187 PolarHBondContact O-ND2 3.34Å
184K73.4Confident69.6Low154 Ų15499.8 Ų99.867%0.6751%0.514SS*.Hα-helixtrans-62.3-45.6174.7-77.6-179.4179-179.10112L180 S181 N187 T188L180-K184 WeakPolarHBondContact O-CG 3.36Å; L180-K184 PolarHBondContact O-N 3.44Å; S181-K184 PolarHBondContact O-N 3.17Å; K184-N187 PolarHBondContact O-N 3.47Å; K184-T188 WeakPolarHBondContact O-CB 3.49Å; K184-T188 PolarHBondContact O-N 2.95Å; K184-T188 PolarHBondContact O-OG1 3Å
185I77.5Confident70Confident92 Ų9297.9 Ų97.947%0.47250%0.504SS..Hα-helixtrans-62.2-47.7178.6-68.7162.1000110.3S181 L182 N187 T188 L189S181-I185 WeakPolarHBondContact O-CD1 3.16Å; S181-I185 VanDerWaalsContact O-CG1 3.24Å; S181-I185 WeakPolarHBondContact O-CG1 3.44Å; S181-I185 PolarHBondContact O-N 2.7Å; L182-I185 PolarHBondContact O-N 2.99Å; I185-N187 PolarHBondContact O-N 2.9Å; I185-T188 WeakPolarHBondContact O-CA 3.32Å; I185-T188 WeakPolarHBondContact O-CB 3.47Å; I185-T188 PolarHBondContact O-N 3.38Å; I185-L189 HydrophobicContact CG2-CD1 3.72Å; I185-L189 HydrophobicContact CG2-CG 4.35Å; I185-L189 WeakPolarHBondContact O-CG 3.32Å; I185-L189 PolarHBondContact O-N 3.25Å
186W70.8Confident70.6Confident156 Ų15697.8 Ų97.859%0.59150%0.504SS*.Hα-helixtrans-61.5-43.8178.9-175-92.6000112.7L182 T188 L189 N190L182-W186 WeakPolarHBondContact O-CB 3.39Å; L182-W186 PolarHBondContact O-N 3.24Å; W186-T188 PolarHBondContact O-N 2.91Å; W186-L189 PolarHBondContact O-N 3.43Å; W186-N190 WeakPolarHBondContact CZ2-ND2 3.39Å; W186-N190 PolarHBondContact NE1-ND2 3.46Å; W186-N190 PolarHBondContact O-N 2.85Å
187N70Confident71.2Confident91 Ų91102 Ų10249%0.48752%0.523SS..Hα-helixtrans-65.2-22.2175.3-74.5-15.6000113.1V183 K184 I185 K191V183-N187 WeakPolarHBondContact O-CB 3.32Å; V183-N187 PolarHBondContact O-N 3.23Å; V183-N187 PolarHBondContact O-ND2 3.34Å; K184-N187 PolarHBondContact O-N 3.47Å; I185-N187 PolarHBondContact O-N 2.9Å; N187-K191 WeakPolarHBondContact O-CG 3.27Å
188T74.6Confident71.3Confident103 Ų103102.8 Ų102.863%0.63252%0.521SS*.Hα-helixtrans-85.2-34.6176.4-51.10000111.1K184 I185 W186K184-T188 WeakPolarHBondContact O-CB 3.49Å; K184-T188 PolarHBondContact O-N 2.95Å; K184-T188 PolarHBondContact O-OG1 3Å; I185-T188 WeakPolarHBondContact O-CA 3.32Å; I185-T188 WeakPolarHBondContact O-CB 3.47Å; I185-T188 PolarHBondContact O-N 3.38Å; W186-T188 PolarHBondContact O-N 2.91Å
189L72.1Confident71.1Confident128 Ų128103.4 Ų103.467%0.6752%0.523SS*.Hα-helixtrans-77.6-23.9178.4-72169.3000114.1I185 W186I185-L189 HydrophobicContact CG2-CD1 3.72Å; I185-L189 HydrophobicContact CG2-CG 4.35Å; I185-L189 WeakPolarHBondContact O-CG 3.32Å; I185-L189 PolarHBondContact O-N 3.25Å; W186-L189 PolarHBondContact O-N 3.43Å
190N63.2Low71Confident105 Ų105108.3 Ų108.356%0.56154%0.541SS*.THydrogen-bonded Turntrans-109.922.6-179.8-74.8-46.5000113.8W186W186-N190 WeakPolarHBondContact CZ2-ND2 3.39Å; W186-N190 PolarHBondContact NE1-ND2 3.46Å; W186-N190 PolarHBondContact O-N 2.85Å
191K53.6Low70.8Confident203 Ų203110.7 Ų110.788%0.88355%0.551SS**  trans-94.30164.9-96.8-179.1177.3-173.60109.7Y153 N187Y153-K191 WeakPolarHBondContact OH-CE 3.45Å; N187-K191 WeakPolarHBondContact O-CG 3.27Å

Retrieved 191 of 191 residues in 53.6 ms (Link to these results)

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