G4VPM7_SCHMA Loading...

40S ribosomal protein S26

AlphaFold DB , UniProt , Accession G4VPM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 114 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.6Low86.8Confident247 Ų247121.9 Ų121.9100%1.21758%0.584SS**  0121.20-156.7-179-12300109.9
2T87.3Confident86.8Confident150 Ų150118.3 Ų118.392%0.9256%0.564SS**  trans-82.1137.5-174.554.40000111.7
3R88.5Confident86.9Confident123 Ų123119.2 Ų119.246%0.46456%0.564SS.*  trans-121.2107.3-175-166.8-178.9-172.7-174.88111.7R5 R6 H8R3-R5 VanDerWaalsContact C-N 3.28Å; R3-R5 WeakPolarHBondContact CD-O 3.41Å; R3-R5 VanDerWaalsContact CG-O 3.26Å; R3-R5 WeakPolarHBondContact CG-O 3.22Å; R3-R5 PolarHBondContact NE-O 3.27Å; R3-R5 PolarHBondContact O-N 3.03Å; R3-R6 PolarHBondContact NH1-O 3.4Å; R3-R6 VanDerWaalsContact NH2-C 3.3Å; R3-R6 PolarHBondContact NH2-O 3.47Å; R3-H8 PolarHBondContact NE-CE1 3.04Å; R3-H8 PolarHBondContact NE-ND1 3.21Å; R3-H8 PolarHBondContact NE-NE2 3.15Å; R3-H8 PolarHBondContact NH2-CD2 3.18Å; R3-H8 PolarHBondContact NH2-NE2 3.06Å
4K89.4Confident87Confident141 Ų141117.3 Ų117.361%0.61359%0.592SS**SBendtrans-58.9-34.6177.5-174175.8-178.8171.60113.8R93K4-R93 VanDerWaalsContact CE-NH1 3.28Å
5R89.2Confident86.9Confident104 Ų104121.6 Ų121.639%0.39260%0.598SS.*SBendtrans-139.3128.1-179-69.3-179163.7118.7-3.3110.3R3 N7 H8R3-R5 VanDerWaalsContact C-N 3.28Å; R3-R5 WeakPolarHBondContact CD-O 3.41Å; R3-R5 VanDerWaalsContact CG-O 3.26Å; R3-R5 WeakPolarHBondContact CG-O 3.22Å; R3-R5 PolarHBondContact NE-O 3.27Å; R3-R5 PolarHBondContact O-N 3.03Å; R5-N7 PolarHBondContact O-N 3.49Å; R5-H8 PolarHBondContact O-N 3.1Å
6R87.9Confident87Confident218 Ų218117.9 Ų117.982%0.82360%0.601SS**THydrogen-bonded Turntrans-55.8-10.8175.6-173.2178.4176.2-1560114.7R3R3-R6 PolarHBondContact NH1-O 3.4Å; R3-R6 VanDerWaalsContact NH2-C 3.3Å; R3-R6 PolarHBondContact NH2-O 3.47Å
7N84.9Confident87.2Confident31 Ų31118.5 Ų118.517%0.16660%0.601CS.*THydrogen-bonded Turntrans-114.310.3175-77.54.5000113.4R5 G9 R10 K13 R96R5-N7 PolarHBondContact O-N 3.49Å; N7-G9 PolarHBondContact O-N 3.22Å; N7-R10 PolarHBondContact O-N 3.01Å; N7-K13 WeakPolarHBondContact OD1-CE 3.32Å; N7-K13 PolarHBondContact OD1-NZ 3.16Å; N7-R96 PolarHBondContact ND2-NH2 3.36Å; N7-R96 VanDerWaalsContact ND2-NH2 3.11Å
8H89.2Confident87.4Confident136 Ų136113.2 Ų113.263%0.6358%0.575SS**THydrogen-bonded Turntrans51.516.1-169.2-56.1-71000115R3 R5R3-H8 PolarHBondContact NE-CE1 3.04Å; R3-H8 PolarHBondContact NE-ND1 3.21Å; R3-H8 PolarHBondContact NE-NE2 3.15Å; R3-H8 PolarHBondContact NH2-CD2 3.18Å; R3-H8 PolarHBondContact NH2-NE2 3.06Å; R5-H8 PolarHBondContact O-N 3.1Å
9G88.7Confident87.7Confident32 Ų32109.7 Ų109.733%0.3357%0.571SS.*THydrogen-bonded Turntrans76.122.3-174.500000114.6N7N7-G9 PolarHBondContact O-N 3.22Å
10R91.2Very high87.9Confident74 Ų74110.3 Ų110.328%0.27957%0.569SS.*SBendtrans-126.7148.8176.6-88.2175.8179.9-122.424.7111.8N7 K12 D33 K34N7-R10 PolarHBondContact O-N 3.01Å; R10-K12 VanDerWaalsContact C-N 3.27Å; R10-K12 HydrophobicContact CB-CB 4.34Å; R10-K12 PolarHBondContact O-N 3.03Å; R10-D33 VanDerWaalsContact CB-OD2 3.32Å; R10-D33 WeakPolarHBondContact CB-OD2 3.31Å; R10-D33 WeakPolarHBondContact CD-OD2 3.21Å; R10-D33 WeakPolarHBondContact CG-OD2 3.36Å; R10-D33 IonicContact CZ-OD2 3.85Å; R10-D33 IonicContact NE-OD2 3.82Å; R10-D33 IonicContact NH1-OD1 3.02Å; R10-D33 PolarHBondContact NH1-OD1 2.8Å; R10-D33 IonicContact NH1-OD2 3.05Å; R10-D33 PolarHBondContact NH1-OD2 3.39Å; R10-K34 HydrophobicContact CG-CB 3.71Å; R10-K34 HydrophobicContact CG-CD 4.15Å; R10-K34 HydrophobicContact CG-CG 4Å
11S89.2Confident88.2Confident85 Ų85107.3 Ų107.359%0.59455%0.553SS**  trans-92.650.8170.8-157.30000112.1D33S11-D33 PolarHBondContact N-O 3.01Å
12K87Confident89.4Confident79 Ų79104.6 Ų104.634%0.34353%0.529SS..  trans-106.8102.9-178.9-163.1177.6177.7-171.60109.3R10 R15 G16 V18 D33R10-K12 VanDerWaalsContact C-N 3.27Å; R10-K12 HydrophobicContact CB-CB 4.34Å; R10-K12 PolarHBondContact O-N 3.03Å; K12-R15 HydrophobicContact CG-CB 4.33Å; K12-G16 WeakPolarHBondContact CE-O 3.22Å; K12-G16 PolarHBondContact NZ-O 3.02Å; K12-V18 HydrophobicContact CD-CG2 4.47Å; K12-V18 HydrophobicContact CG-CG2 4.28Å; K12-D33 WeakPolarHBondContact CB-OD2 3.45Å
13K87.7Confident89.8Confident130 Ų13097.7 Ų97.757%0.56549%0.487SS*.SBendtrans-121.9113.4175-61.3-65.1179.1179.70107.3N7 R15N7-K13 WeakPolarHBondContact OD1-CE 3.32Å; N7-K13 PolarHBondContact OD1-NZ 3.16Å; K13-R15 WeakPolarHBondContact O-CG 3.13Å; K13-R15 PolarHBondContact O-N 3.33Å; K13-R15 VanDerWaalsContact O-N 3.08Å
14G88.5Confident90.1Very high92 Ų9295.2 Ų95.295%0.94849%0.486SS*.SBendtrans67.8-0.2179.200000117.4
15R85.5Confident90.3Very high182 Ų18293.4 Ų93.469%0.68748%0.483SS*.  trans-85.8-10.9-169.4-57.2-163.1-159.4-112.81.1116.8K12 K13 H17 V18K12-R15 HydrophobicContact CG-CB 4.33Å; K13-R15 WeakPolarHBondContact O-CG 3.13Å; K13-R15 PolarHBondContact O-N 3.33Å; K13-R15 VanDerWaalsContact O-N 3.08Å; R15-H17 PolarHBondContact O-N 3.25Å; R15-H17 VanDerWaalsContact O-O 3.07Å; R15-V18 HydrophobicContact CB-CG2 4.22Å
16G88.8Confident90.6Very high63 Ų6391.8 Ų91.865%0.64949%0.487SS*.SBendtrans67.3-64.4178.400000115.6K12K12-G16 WeakPolarHBondContact CE-O 3.22Å; K12-G16 PolarHBondContact NZ-O 3.02Å
17H89.2Confident90.8Very high127 Ų12783.2 Ų83.259%0.58847%0.467SS*.  trans-134.9154.1173.2-179.5-100.1000109.9R15 F20R15-H17 PolarHBondContact O-N 3.25Å; R15-H17 VanDerWaalsContact O-O 3.07Å; H17-F20 AromaticContact CE1-CE2 3.83Å; H17-F20 AromaticContact NE2-CD2 3.93Å; H17-F20 AromaticContact NE2-CE2 3.15Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.38Å; H17-F20 AromaticContact NE2-CZ 3.75Å
18V91.5Very high91.2Very high23 Ų2389.4 Ų89.414%0.13949%0.488CS..  trans-136.3134.4177.9-178.10000107.5K12 R15 K32 D33K12-V18 HydrophobicContact CD-CG2 4.47Å; K12-V18 HydrophobicContact CG-CG2 4.28Å; R15-V18 HydrophobicContact CB-CG2 4.22Å; V18-K32 HydrophobicContact CG1-CB 3.87Å; V18-D33 HydrophobicContact CG1-CB 4.43Å; V18-D33 HydrophobicContact CG2-CB 4.35Å
19G92.1Very high91.5Very high48 Ų4885.4 Ų85.450%0.49548%0.478SS..  trans-50.7140.4178.100000113.2K32G19-K32 PolarHBondContact O-N 2.74Å; G19-K32 VanDerWaalsContact O-N 3.13Å
20F93.5Very high91.6Very high120 Ų12084.5 Ų84.553%0.52647%0.466SS..EExtended strand (participates in β ladder)trans-83.6145.1178.1-64.2-83.1000111.3H17 P31H17-F20 AromaticContact CE1-CE2 3.83Å; H17-F20 AromaticContact NE2-CD2 3.93Å; H17-F20 AromaticContact NE2-CE2 3.15Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.38Å; H17-F20 AromaticContact NE2-CZ 3.75Å; F20-P31 HydrophobicContact CD1-CB 3.74Å; F20-P31 HydrophobicContact CD1-CG 4.18Å; F20-P31 HydrophobicContact CE1-CB 3.74Å; F20-P31 HydrophobicContact CE1-CG 3.94Å
21I93.5Very high91.8Very high49 Ų4981.4 Ų81.425%0.25146%0.456SS..EExtended strand (participates in β ladder)trans-121.1144.4173.6-61.2177.9000107.1C30 K32 Q73I21-C30 PolarHBondContact N-O 3.13Å; I21-C30 PolarHBondContact O-N 3.09Å; I21-K32 HydrophobicContact CD1-CB 3.62Å; I21-K32 HydrophobicContact CD1-CD 3.95Å; I21-K32 HydrophobicContact CD1-CG 3.54Å; I21-K32 HydrophobicContact CG1-CB 4.12Å; I21-Q73 HydrophobicContact CG2-CB 3.88Å; I21-Q73 HydrophobicContact CG2-CG 3.97Å
22R95.4Very high92Very high189 Ų18983.6 Ų83.671%0.71346%0.455SS*.EExtended strand (participates in β ladder)trans-83.1134.6174.7-64.1-77.8173.799.4-4.2109.7G27R22-G27 WeakPolarHBondContact CD-O 2.93Å
23C95.3Very high92.2Very high5 Ų581 Ų813%0.03445%0.445CS..  trans-62.5135.6172.2-178.10000110N25 G27 R28 Q73 C75C23-N25 VanDerWaalsContact C-N 3.25Å; C23-N25 PolarHBondContact O-N 3.36Å; C23-G27 VanDerWaalsContact O-CA 3.31Å; C23-G27 WeakPolarHBondContact O-CA 3.39Å; C23-G27 PolarHBondContact O-N 2.66Å; C23-R28 PolarHBondContact N-O 3.3Å; C23-Q73 WeakPolarHBondContact CA-O 3.34Å; C23-C75 HydrophobicContact CB-CB 4.1Å; C23-C75 PolarHBondContact SG-N 3.4Å
24T94Very high92.5Very high72 Ų7279 Ų7944%0.44244%0.436SS..THydrogen-bonded Turntrans-63.7-28.2-179.853.10000113.8L72 Q73T24-L72 HydrophobicContact CG2-CD2 4.07Å; T24-Q73 PolarHBondContact N-O 2.96Å; T24-Q73 PolarHBondContact OG1-O 2.95Å
25N93.7Very high92.7Very high103 Ų10375.3 Ų75.355%0.55140%0.396SS*.THydrogen-bonded Turntrans-95.2-43.4-174.6-69.223.5000113C23 Y74C23-N25 VanDerWaalsContact C-N 3.25Å; C23-N25 PolarHBondContact O-N 3.36Å; N25-Y74 WeakPolarHBondContact OD1-CE1 3.35Å
26C94.8Very high93.1Very high69 Ų6968 Ų6847%0.46637%0.371SS..THydrogen-bonded Turntrans-115.31.1-17263.10000113.9R28 C78C26-R28 PolarHBondContact O-N 3.29Å; C26-C78 PolarHBondContact SG-SG 3.48Å
27G93Very high93.2Very high39 Ų3972.4 Ų72.440%0.40237%0.368SS..  trans65.8-1.6-178.100000115.2R22 C23 A29R22-G27 WeakPolarHBondContact CD-O 2.93Å; C23-G27 VanDerWaalsContact O-CA 3.31Å; C23-G27 WeakPolarHBondContact O-CA 3.39Å; C23-G27 PolarHBondContact O-N 2.66Å; G27-A29 PolarHBondContact O-N 3.4Å
28R94Very high93.3Very high160 Ų16071.1 Ų71.160%0.60436%0.361SS*.  trans-59.4130.6-178.3-174.6174.9-176.7152.75.5111.5C23 C26 C30C23-R28 PolarHBondContact N-O 3.3Å; C26-R28 PolarHBondContact O-N 3.29Å; R28-C30 PolarHBondContact O-N 3.48Å
29A94.4Very high93.3Very high52 Ų5274.3 Ų74.343%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-63.3117.1171.500000110.3G27G27-A29 PolarHBondContact O-N 3.4Å
30C92.1Very high93.3Very high13 Ų1373 Ų739%0.08836%0.36CS..EExtended strand (participates in β ladder)trans-128.2131.4178.6-68.70000109.1I21 R28 C75I21-C30 PolarHBondContact N-O 3.13Å; I21-C30 PolarHBondContact O-N 3.09Å; R28-C30 PolarHBondContact O-N 3.48Å; C30-C75 WeakPolarHBondContact SG-CB 3.37Å
31P94.1Very high93.3Very high9 Ų970.7 Ų70.76%0.05836%0.355CS..EExtended strand (participates in β ladder)trans-72.2141.4-179.925.3-23.5000109.9F20 D33 K34 S35F20-P31 HydrophobicContact CD1-CB 3.74Å; F20-P31 HydrophobicContact CD1-CG 4.18Å; F20-P31 HydrophobicContact CE1-CB 3.74Å; F20-P31 HydrophobicContact CE1-CG 3.94Å; P31-D33 VanDerWaalsContact CB-OD1 3.31Å; P31-D33 WeakPolarHBondContact CB-OD1 3.34Å; P31-D33 PolarHBondContact O-N 2.77Å; P31-D33 VanDerWaalsContact O-N 3.07Å; P31-K34 HydrophobicContact CG-CB 3.96Å; P31-K34 WeakPolarHBondContact O-CA 3.29Å; P31-K34 PolarHBondContact O-N 3.1Å; P31-S35 PolarHBondContact O-N 3.13Å
32K92.8Very high93.2Very high131 Ų13176.6 Ų76.657%0.5737%0.374SS*.THydrogen-bonded Turntrans-55.8-28.8-170.2-179.1176.3-178-179.70114.2V18 G19 I21 K34 S35V18-K32 HydrophobicContact CG1-CB 3.87Å; G19-K32 PolarHBondContact O-N 2.74Å; G19-K32 VanDerWaalsContact O-N 3.13Å; I21-K32 HydrophobicContact CD1-CB 3.62Å; I21-K32 HydrophobicContact CD1-CD 3.95Å; I21-K32 HydrophobicContact CD1-CG 3.54Å; I21-K32 HydrophobicContact CG1-CB 4.12Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K32-S35 PolarHBondContact O-OG 2.9Å
33D93Very high93Very high24 Ų2470.4 Ų70.413%0.12836%0.36CS..THydrogen-bonded Turntrans-80-13.4178.463-49.4000114.1R10 S11 K12 V18 P31R10-D33 VanDerWaalsContact CB-OD2 3.32Å; R10-D33 WeakPolarHBondContact CB-OD2 3.31Å; R10-D33 WeakPolarHBondContact CD-OD2 3.21Å; R10-D33 WeakPolarHBondContact CG-OD2 3.36Å; R10-D33 IonicContact CZ-OD2 3.85Å; R10-D33 IonicContact NE-OD2 3.82Å; R10-D33 IonicContact NH1-OD1 3.02Å; R10-D33 PolarHBondContact NH1-OD1 2.8Å; R10-D33 IonicContact NH1-OD2 3.05Å; R10-D33 PolarHBondContact NH1-OD2 3.39Å; S11-D33 PolarHBondContact N-O 3.01Å; K12-D33 WeakPolarHBondContact CB-OD2 3.45Å; V18-D33 HydrophobicContact CG1-CB 4.43Å; V18-D33 HydrophobicContact CG2-CB 4.35Å; P31-D33 VanDerWaalsContact CB-OD1 3.31Å; P31-D33 WeakPolarHBondContact CB-OD1 3.34Å; P31-D33 PolarHBondContact O-N 2.77Å; P31-D33 VanDerWaalsContact O-N 3.07Å
34K93Very high92.7Very high89 Ų8974.9 Ų74.939%0.38738%0.382SS..THydrogen-bonded Turntrans-107.5-23.4176.5-164.6169.6177-179.60112.3R10 P31 K32 I76R10-K34 HydrophobicContact CG-CB 3.71Å; R10-K34 HydrophobicContact CG-CD 4.15Å; R10-K34 HydrophobicContact CG-CG 4Å; P31-K34 HydrophobicContact CG-CB 3.96Å; P31-K34 WeakPolarHBondContact O-CA 3.29Å; P31-K34 PolarHBondContact O-N 3.1Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K34-I76 HydrophobicContact CD-CD1 4.18Å; K34-I76 HydrophobicContact CG-CD1 3.84Å; K34-I76 HydrophobicContact CG-CG1 4.4Å
35S93.3Very high92.6Very high14 Ų1473 Ų7310%0.09837%0.37CS..SBendtrans-65.7145.7-179.667.10000110.9P31 K32 Q73 Y74P31-S35 PolarHBondContact O-N 3.13Å; K32-S35 PolarHBondContact O-OG 2.9Å; S35-Q73 PolarHBondContact OG-OE1 2.84Å; S35-Y74 WeakPolarHBondContact CA-O 3.4Å
36V93.4Very high92.4Very high30 Ų3074.8 Ų74.818%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-95.4108.3175.9-177.90000106.1Y74 A79 V84 L85V36-Y74 PolarHBondContact N-O 3Å; V36-Y74 PolarHBondContact O-N 3.24Å; V36-A79 HydrophobicContact CB-CB 4.16Å; V36-A79 HydrophobicContact CG1-CB 4.44Å; V36-A79 HydrophobicContact CG2-CB 4.01Å; V36-V84 HydrophobicContact CG1-CG1 4.27Å; V36-L85 HydrophobicContact CB-CD1 3.94Å; V36-L85 HydrophobicContact CG1-CD1 3.5Å; V36-L85 VanDerWaalsContact CG1-CD1 3.5Å; V36-L85 HydrophobicContact CG2-CD1 3.23Å
37W91.5Very high92.1Very high154 Ų15475.7 Ų75.758%0.58339%0.388SS*.EExtended strand (participates in β ladder)trans-90.1141.2175.872.2-84.6000110.2L39 K71 L72W37-L39 HydrophobicContact CE3-CB 4.43Å; W37-L39 HydrophobicContact CZ3-CB 3.95Å; W37-K71 HydrophobicContact CB-CG 4.49Å; W37-K71 HydrophobicContact CE3-CG 4.36Å; W37-L72 CarbonylContact C-O 3.51Å; W37-L72 VanDerWaalsContact CA-O 3.22Å; W37-L72 WeakPolarHBondContact CA-O 3.46Å
38K91.6Very high92Very high100 Ų10077 Ų7744%0.43540%0.395SS..EExtended strand (participates in β ladder)trans-133.3119.1171.1-176.6176.5-178-177.60107.6V40 L72 Y74K38-V40 HydrophobicContact CD-CG2 4.28Å; K38-V40 HydrophobicContact CG-CG2 4.12Å; K38-V40 PolarHBondContact O-N 3Å; K38-L72 PolarHBondContact N-O 3.42Å; K38-L72 PolarHBondContact O-N 3.29Å; K38-Y74 HydrophobicContact CB-CE2 4.33Å
39L91.5Very high91.8Very high91 Ų9171.2 Ų71.248%0.47638%0.381SS..EExtended strand (participates in β ladder)trans-76.4121.7167.6-175.367.7000107.9W37W37-L39 HydrophobicContact CE3-CB 4.43Å; W37-L39 HydrophobicContact CZ3-CB 3.95Å
40V92.2Very high91.5Very high21 Ų2170.9 Ų70.913%0.12737%0.374CS..EExtended strand (participates in β ladder)trans-108.1107.5173.5177.10000106.6K38 R42 V70 L72K38-V40 HydrophobicContact CD-CG2 4.28Å; K38-V40 HydrophobicContact CG-CG2 4.12Å; K38-V40 PolarHBondContact O-N 3Å; V40-R42 HydrophobicContact CG1-CG 3.64Å; V40-R42 VanDerWaalsContact CG1-NE 3.34Å; V40-V70 PolarHBondContact N-O 3.07Å; V40-V70 PolarHBondContact O-N 3.02Å; V40-L72 HydrophobicContact CB-CD1 4.33Å; V40-L72 HydrophobicContact CG2-CD1 3.51Å; V40-L72 HydrophobicContact CG2-CG 4.15Å
41T92.5Very high91.2Very high71 Ų7176.1 Ų76.144%0.43640%0.395SS..EExtended strand (participates in β ladder)trans-98.9115.4167.5-540000107.3K67 L68 Y69T41-K67 HydrophobicContact CG2-CB 4.26Å; T41-K67 HydrophobicContact CG2-CD 4.17Å; T41-L68 WeakPolarHBondContact CA-O 3.32Å; T41-Y69 HydrophobicContact CG2-CD1 3.96Å; T41-Y69 HydrophobicContact CG2-CE1 3.56Å
42R91.4Very high91.1Very high172 Ų17280.8 Ų80.865%0.64942%0.42SS*.EExtended strand (participates in β ladder)trans-128.7144.3176.5-72.8177-179.1-168.1-0.8108.4V40 K67 L68V40-R42 HydrophobicContact CG1-CG 3.64Å; V40-R42 VanDerWaalsContact CG1-NE 3.34Å; R42-K67 CarbonylContact O-C 3.53Å; R42-K67 WeakPolarHBondContact O-CA 3.16Å; R42-L68 PolarHBondContact N-O 3.05Å; R42-L68 VanDerWaalsContact N-O 3.09Å; R42-L68 PolarHBondContact O-N 2.58Å
43S91.1Very high90.8Very high60 Ų6077.7 Ų77.742%0.4241%0.409SS..EExtended strand (participates in β ladder)trans-59.9149.816243.50000108.8V45S43-V45 WeakPolarHBondContact CB-O 3.48Å; S43-V45 PolarHBondContact O-N 3.09Å; S43-V45 PolarHBondContact OG-O 3.33Å
44M90.1Very high90.6Very high99 Ų9979.6 Ų79.649%0.48842%0.417SS..SBendtrans-62.5-28.7172.1-74.4-170.1-52.500112P66 L68M44-P66 HydrophobicContact CE-CB 3.38Å; M44-P66 HydrophobicContact CE-CG 3.26Å; M44-P66 PolarHBondContact N-O 2.7Å; M44-P66 VanDerWaalsContact N-O 3.13Å; M44-P66 HydrophobicContact SD-CB 4.31Å; M44-L68 HydrophobicContact CG-CD1 4.12Å; M44-L68 HydrophobicContact CG-CD2 3.88Å; M44-L68 HydrophobicContact CG-CG 3.63Å; M44-L68 HydrophobicContact SD-CD2 4.19Å
45V90.6Very high90.3Very high32 Ų3280.9 Ų80.919%0.19443%0.428CS..SBendtrans-105.7143.4-178-173.80000110.4S43 A49 L53 V65S43-V45 WeakPolarHBondContact CB-O 3.48Å; S43-V45 PolarHBondContact O-N 3.09Å; S43-V45 PolarHBondContact OG-O 3.33Å; V45-A49 HydrophobicContact CG1-CB 3.6Å; V45-L53 HydrophobicContact CG2-CD2 4Å; V45-V65 HydrophobicContact CB-CG1 4.22Å; V45-V65 HydrophobicContact CG2-CG1 3.84Å
46E90.2Very high90.1Very high140 Ų14084.4 Ų84.465%0.65446%0.458SS*.  trans-66148.5172178.3-173.214300111A48 A49 V50E46-A48 PolarHBondContact O-N 3.2Å; E46-A48 VanDerWaalsContact O-N 3.13Å; E46-A48 WeakPolarHBondContact OE1-CB 3.15Å; E46-A49 PolarHBondContact O-N 2.99Å; E46-A49 VanDerWaalsContact O-N 3.1Å; E46-V50 WeakPolarHBondContact O-CG2 3.22Å; E46-V50 PolarHBondContact O-N 3.47Å
47A88.3Confident89.8Confident89 Ų8984.6 Ų84.674%0.73646%0.461SS*.THydrogen-bonded Turntrans-53.2-32.9179.900000115.1
48A90.3Very high89.6Confident67 Ų6784.1 Ų84.155%0.55447%0.474SS*.THydrogen-bonded Turntrans-71.7-42.517800000112.2E46 V50E46-A48 PolarHBondContact O-N 3.2Å; E46-A48 VanDerWaalsContact O-N 3.13Å; E46-A48 WeakPolarHBondContact OE1-CB 3.15Å; A48-V50 PolarHBondContact O-N 2.97Å
49A90Very high89.3Confident38 Ų3887.7 Ų87.731%0.31449%0.486SS..Hα-helixtrans-76.7-5.3-177.700000113.7V45 E46 K51 D52 L53V45-A49 HydrophobicContact CG1-CB 3.6Å; E46-A49 PolarHBondContact O-N 2.99Å; E46-A49 VanDerWaalsContact O-N 3.1Å; A49-K51 VanDerWaalsContact C-N 3.27Å; A49-K51 PolarHBondContact O-N 2.98Å; A49-D52 PolarHBondContact O-N 3.29Å; A49-L53 VanDerWaalsContact O-CB 3.32Å; A49-L53 WeakPolarHBondContact O-CB 3.19Å; A49-L53 PolarHBondContact O-N 3.42Å
50V88.5Confident88.6Confident45 Ų4584.6 Ų84.627%0.27348%0.476SS..Hα-helixtrans-58.9-42.5177176.40000110.6E46 A48 L53 E54E46-V50 WeakPolarHBondContact O-CG2 3.22Å; E46-V50 PolarHBondContact O-N 3.47Å; A48-V50 PolarHBondContact O-N 2.97Å; V50-L53 PolarHBondContact O-N 2.91Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.49Å; V50-E54 WeakPolarHBondContact O-CG 3.34Å; V50-E54 PolarHBondContact O-N 2.99Å
51K86.7Confident87.9Confident122 Ų12291.5 Ų91.553%0.5351%0.505SS..Hα-helixtrans-67.8-47.1-178.4-178.4170.5176.1171.40112A49 L53 E54 D55A49-K51 VanDerWaalsContact C-N 3.27Å; A49-K51 PolarHBondContact O-N 2.98Å; K51-L53 PolarHBondContact O-N 3.13Å; K51-E54 PolarHBondContact O-N 2.87Å; K51-E54 VanDerWaalsContact O-N 3.16Å; K51-D55 PolarHBondContact O-N 3.18Å
52D90.6Very high87.4Confident108 Ų10895.4 Ų95.458%0.57852%0.523SS*.Hα-helixtrans-63.4-35-179.9-53.3-43.8000111.3A49 A56A49-D52 PolarHBondContact O-N 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 2.72Å
53L87.5Confident87Confident66 Ų6692.8 Ų92.835%0.34651%0.513SS..Hα-helixtrans-67.9-41.7174.9-165.687.1000112.1V45 A49 V50 K51 S57 V65V45-L53 HydrophobicContact CG2-CD2 4Å; A49-L53 VanDerWaalsContact O-CB 3.32Å; A49-L53 WeakPolarHBondContact O-CB 3.19Å; A49-L53 PolarHBondContact O-N 3.42Å; V50-L53 PolarHBondContact O-N 2.91Å; K51-L53 PolarHBondContact O-N 3.13Å; L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.89Å; L53-S57 PolarHBondContact O-OG 3.25Å; L53-V65 HydrophobicContact CD2-CG2 3.75Å
54E87.4Confident86.7Confident64 Ų6493.9 Ų93.930%0.29953%0.527SS..Hα-helixtrans-61.6-46.4176.8-76.3173.3-167.200110.9V50 K51 S57V50-E54 WeakPolarHBondContact CG1-OE1 3.49Å; V50-E54 WeakPolarHBondContact O-CG 3.34Å; V50-E54 PolarHBondContact O-N 2.99Å; K51-E54 PolarHBondContact O-N 2.87Å; K51-E54 VanDerWaalsContact O-N 3.16Å; E54-S57 PolarHBondContact O-N 3.46Å; E54-S57 PolarHBondContact O-OG 2.99Å; E54-S57 VanDerWaalsContact O-OG 3.06Å
55D87.7Confident86.5Confident116 Ų11691.1 Ų91.162%0.6252%0.515SS*.Hα-helixtrans-68.8-34.5-178.6-67.9-21.3000112.4K51K51-D55 PolarHBondContact O-N 3.18Å
56A89.5Confident86.5Confident88 Ų8892.1 Ų92.173%0.72752%0.522SS*.Hα-helixtrans-88-9.2179.700000114.6D52D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 2.72Å
57S86.2Confident86.7Confident34 Ų3491.4 Ų91.424%0.23852%0.517CS..  trans-86.6140.5-176.369.20000112.8L53 E54 Y59 G60L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.89Å; L53-S57 PolarHBondContact O-OG 3.25Å; E54-S57 PolarHBondContact O-N 3.46Å; E54-S57 PolarHBondContact O-OG 2.99Å; E54-S57 VanDerWaalsContact O-OG 3.06Å; S57-Y59 PolarHBondContact O-N 2.9Å; S57-G60 PolarHBondContact O-N 3.3Å; S57-G60 WeakPolarHBondContact OG-CA 2.86Å; S57-G60 PolarHBondContact OG-N 3.37Å; S57-G60 PolarHBondContact OG-O 2.94Å
58V88.5Confident86.9Confident143 Ų14391.4 Ų91.487%0.86750%0.504SS*.THydrogen-bonded Turntrans-61.1-32.7177.1-178.70000112G60V58-G60 VanDerWaalsContact C-N 3.32Å
59Y83.9Confident87.2Confident176 Ų17695.5 Ų95.569%0.6951%0.506SS*.THydrogen-bonded Turntrans-87.81.4179.2-58.4-65.8000113.4S57 N62 Y63S57-Y59 PolarHBondContact O-N 2.9Å; Y59-N62 PolarHBondContact O-N 3.37Å; Y59-N62 VanDerWaalsContact O-N 3.15Å; Y59-Y63 HydrophobicContact CD2-CD2 4.35Å
60G77.7Confident87.4Confident25 Ų2597 Ų9726%0.25851%0.511SS..G310 helixtrans49.6-138.3-177.500000113.2S57 V58 N62 Y63S57-G60 PolarHBondContact O-N 3.3Å; S57-G60 WeakPolarHBondContact OG-CA 2.86Å; S57-G60 PolarHBondContact OG-N 3.37Å; S57-G60 PolarHBondContact OG-O 2.94Å; V58-G60 VanDerWaalsContact C-N 3.32Å; G60-N62 PolarHBondContact O-N 3.38Å; G60-N62 VanDerWaalsContact O-N 3.1Å; G60-Y63 PolarHBondContact O-N 2.86Å
61K76.4Confident87.7Confident167 Ų167100.4 Ų100.473%0.72652%0.523SS*.G310 helixtrans-63.8-12178.8-71.5-178179.1173.50115.2Y63K61-Y63 VanDerWaalsContact C-N 3.3Å; K61-Y63 PolarHBondContact O-N 3.31Å
62N81.8Confident88Confident153 Ų15396.5 Ų96.582%0.81851%0.507SS*.G310 helixtrans-82.3-8-177.6-79.924.1000113.2Y59 G60 A64Y59-N62 PolarHBondContact O-N 3.37Å; Y59-N62 VanDerWaalsContact O-N 3.15Å; G60-N62 PolarHBondContact O-N 3.38Å; G60-N62 VanDerWaalsContact O-N 3.1Å; N62-A64 PolarHBondContact O-N 3.23Å
63Y83.4Confident88.2Confident116 Ų11692.2 Ų92.246%0.45548%0.484SS..  trans-78.9108.1177.3-170.6-110.4000111.9Y59 G60 K61 V65Y59-Y63 HydrophobicContact CD2-CD2 4.35Å; G60-Y63 PolarHBondContact O-N 2.86Å; K61-Y63 VanDerWaalsContact C-N 3.3Å; K61-Y63 PolarHBondContact O-N 3.31Å; Y63-V65 HydrophobicContact CD1-CG2 4.45Å; Y63-V65 PolarHBondContact O-N 3.34Å; Y63-V65 VanDerWaalsContact O-N 3.09Å
64A84.8Confident88.6Confident84 Ų8490.3 Ų90.369%0.69447%0.472SS*.  trans-72.7102.6174.700000110.8N62 P66N62-A64 PolarHBondContact O-N 3.23Å; A64-P66 WeakPolarHBondContact O-CD 3.44Å
65V86.3Confident89Confident40 Ų4087.5 Ų87.524%0.24246%0.46CS..  trans-58.7119.5178.3-177.90000110.7V45 L53 Y63V45-V65 HydrophobicContact CB-CG1 4.22Å; V45-V65 HydrophobicContact CG2-CG1 3.84Å; L53-V65 HydrophobicContact CD2-CG2 3.75Å; Y63-V65 HydrophobicContact CD1-CG2 4.45Å; Y63-V65 PolarHBondContact O-N 3.34Å; Y63-V65 VanDerWaalsContact O-N 3.09Å
66P90.9Very high89.3Confident54 Ų5485.2 Ų85.235%0.35145%0.447SS..  trans-66.3158.5-178.6-15.624.8000113.1M44 A64M44-P66 HydrophobicContact CE-CB 3.38Å; M44-P66 HydrophobicContact CE-CG 3.26Å; M44-P66 PolarHBondContact N-O 2.7Å; M44-P66 VanDerWaalsContact N-O 3.13Å; M44-P66 HydrophobicContact SD-CB 4.31Å; A64-P66 WeakPolarHBondContact O-CD 3.44Å
67K93.4Very high89.5Confident124 Ų12484.7 Ų84.754%0.53944%0.437SS..EExtended strand (participates in β ladder)trans-109.1136.7-179.3-66.7173.2-175.8167.50110.7T41 R42 Y69T41-K67 HydrophobicContact CG2-CB 4.26Å; T41-K67 HydrophobicContact CG2-CD 4.17Å; R42-K67 CarbonylContact O-C 3.53Å; R42-K67 WeakPolarHBondContact O-CA 3.16Å; K67-Y69 HydrophobicContact CB-CD2 4.48Å; K67-Y69 HydrophobicContact CB-CE2 3.74Å; K67-Y69 VanDerWaalsContact O-CD2 3.29Å; K67-Y69 WeakPolarHBondContact O-CD2 3.12Å; K67-Y69 WeakPolarHBondContact O-CE2 3.31Å
68L93.9Very high90Very high89 Ų8984 Ų8447%0.46643%0.433SS..EExtended strand (participates in β ladder)trans-82.5129.2168.9-63.3173.3000109.8T41 R42 M44T41-L68 WeakPolarHBondContact CA-O 3.32Å; R42-L68 PolarHBondContact N-O 3.05Å; R42-L68 VanDerWaalsContact N-O 3.09Å; R42-L68 PolarHBondContact O-N 2.58Å; M44-L68 HydrophobicContact CG-CD1 4.12Å; M44-L68 HydrophobicContact CG-CD2 3.88Å; M44-L68 HydrophobicContact CG-CG 3.63Å; M44-L68 HydrophobicContact SD-CD2 4.19Å
69Y95.8Very high90.3Very high153 Ų15377.2 Ų77.260%0.639%0.392SS*.EExtended strand (participates in β ladder)trans-114.5105.1175.2-63.7-89.7000109.1T41 K67T41-Y69 HydrophobicContact CG2-CD1 3.96Å; T41-Y69 HydrophobicContact CG2-CE1 3.56Å; K67-Y69 HydrophobicContact CB-CD2 4.48Å; K67-Y69 HydrophobicContact CB-CE2 3.74Å; K67-Y69 VanDerWaalsContact O-CD2 3.29Å; K67-Y69 WeakPolarHBondContact O-CD2 3.12Å; K67-Y69 WeakPolarHBondContact O-CE2 3.31Å
70V94.5Very high90.8Very high70 Ų7072.9 Ų72.942%0.42438%0.38SS..EExtended strand (participates in β ladder)trans-121.2123.4179.9-174.60000109.8V40 L72V40-V70 PolarHBondContact N-O 3.07Å; V40-V70 PolarHBondContact O-N 3.02Å; V70-L72 HydrophobicContact CG1-CD2 3.61Å; V70-L72 HydrophobicContact CG1-CG 4.1Å; V70-L72 PolarHBondContact O-N 3.11Å
71K94.2Very high91.7Very high116 Ų11679.7 Ų79.750%0.50440%0.404SS..EExtended strand (participates in β ladder)trans-91.291.1172.3-171176.1-172.5169.90109.8W37W37-K71 HydrophobicContact CB-CG 4.49Å; W37-K71 HydrophobicContact CE3-CG 4.36Å
72L94.1Very high92.4Very high40 Ų4074 Ų7421%0.20939%0.386CS..EExtended strand (participates in β ladder)trans-72139176.9-60.4176.2000110.3T24 W37 K38 V40 V70 Y74T24-L72 HydrophobicContact CG2-CD2 4.07Å; W37-L72 CarbonylContact C-O 3.51Å; W37-L72 VanDerWaalsContact CA-O 3.22Å; W37-L72 WeakPolarHBondContact CA-O 3.46Å; K38-L72 PolarHBondContact N-O 3.42Å; K38-L72 PolarHBondContact O-N 3.29Å; V40-L72 HydrophobicContact CB-CD1 4.33Å; V40-L72 HydrophobicContact CG2-CD1 3.51Å; V40-L72 HydrophobicContact CG2-CG 4.15Å; V70-L72 HydrophobicContact CG1-CD2 3.61Å; V70-L72 HydrophobicContact CG1-CG 4.1Å; V70-L72 PolarHBondContact O-N 3.11Å; L72-Y74 HydrophobicContact CB-CE2 3.77Å; L72-Y74 HydrophobicContact CD1-CE2 4.44Å; L72-Y74 WeakPolarHBondContact CD1-OH 3.32Å
73Q95.1Very high92.9Very high19 Ų1974 Ų749%0.08938%0.379CS..EExtended strand (participates in β ladder)trans-125.3116-178.9-68.8-76.1-0.700109.1I21 C23 T24 S35I21-Q73 HydrophobicContact CG2-CB 3.88Å; I21-Q73 HydrophobicContact CG2-CG 3.97Å; C23-Q73 WeakPolarHBondContact CA-O 3.34Å; T24-Q73 PolarHBondContact N-O 2.96Å; T24-Q73 PolarHBondContact OG1-O 2.95Å; S35-Q73 PolarHBondContact OG-OE1 2.84Å
74Y95.9Very high93.2Very high26 Ų2671.1 Ų71.110%0.10237%0.372CS..EExtended strand (participates in β ladder)trans-110147.2-177.3-60.4-75.4000112.2N25 S35 V36 K38 L72 C78N25-Y74 WeakPolarHBondContact OD1-CE1 3.35Å; S35-Y74 WeakPolarHBondContact CA-O 3.4Å; V36-Y74 PolarHBondContact N-O 3Å; V36-Y74 PolarHBondContact O-N 3.24Å; K38-Y74 HydrophobicContact CB-CE2 4.33Å; L72-Y74 HydrophobicContact CB-CE2 3.77Å; L72-Y74 HydrophobicContact CD1-CE2 4.44Å; L72-Y74 WeakPolarHBondContact CD1-OH 3.32Å; Y74-C78 HydrophobicContact CD1-CB 4.33Å
75C95.2Very high93.5Very high5 Ų570 Ų703%0.03436%0.355CS..  trans-72.1160.2158.675.80000110.2C23 C30 S77 C78 A79C23-C75 HydrophobicContact CB-CB 4.1Å; C23-C75 PolarHBondContact SG-N 3.4Å; C30-C75 WeakPolarHBondContact SG-CB 3.37Å; C75-S77 VanDerWaalsContact C-N 3.26Å; C75-S77 PolarHBondContact O-N 3.15Å; C75-C78 PolarHBondContact O-N 2.99Å; C75-C78 VanDerWaalsContact SG-CB 3.59Å; C75-C78 PolarHBondContact SG-N 3.32Å; C75-C78 PolarHBondContact SG-SG 2.94Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.08Å
76I93.7Very high93.7Very high68 Ų6875.7 Ų75.735%0.34937%0.372SS..Hα-helixtrans-60.6-37.9-177.9-61.1-177.7000111.3K34 A79 I80K34-I76 HydrophobicContact CD-CD1 4.18Å; K34-I76 HydrophobicContact CG-CD1 3.84Å; K34-I76 HydrophobicContact CG-CG1 4.4Å; I76-A79 PolarHBondContact O-N 2.99Å; I76-I80 HydrophobicContact CG2-CD1 3.87Å; I76-I80 WeakPolarHBondContact O-CG1 3.44Å; I76-I80 PolarHBondContact O-N 3.48Å; I76-I80 VanDerWaalsContact O-N 3.11Å
77S94.7Very high93.7Very high76 Ų7679.6 Ų79.653%0.53139%0.39SS..Hα-helixtrans-64.1-50.8179.6-48.90000111.7C75 A79 I80 H81C75-S77 VanDerWaalsContact C-N 3.26Å; C75-S77 PolarHBondContact O-N 3.15Å; S77-A79 VanDerWaalsContact C-N 3.31Å; S77-A79 PolarHBondContact O-N 3.4Å; S77-I80 PolarHBondContact O-N 2.99Å; S77-H81 PolarHBondContact O-N 3.06Å
78C95.9Very high93.6Very high21 Ų2177.1 Ų77.114%0.14238%0.377CS..Hα-helixtrans-62.8-38.3177-68.50000111.8C26 Y74 C75 I80 H81 S82C26-C78 PolarHBondContact SG-SG 3.48Å; Y74-C78 HydrophobicContact CD1-CB 4.33Å; C75-C78 PolarHBondContact O-N 2.99Å; C75-C78 VanDerWaalsContact SG-CB 3.59Å; C75-C78 PolarHBondContact SG-N 3.32Å; C75-C78 PolarHBondContact SG-SG 2.94Å; C78-I80 VanDerWaalsContact C-N 3.28Å; C78-I80 PolarHBondContact O-N 3.08Å; C78-H81 PolarHBondContact O-N 3.32Å; C78-S82 WeakPolarHBondContact O-CB 3.46Å; C78-S82 PolarHBondContact O-N 3.05Å; C78-S82 PolarHBondContact O-OG 2.89Å
79A94.9Very high93.4Very high0 Ų076.3 Ų76.30%038%0.379CS..Hα-helixtrans-66.1-30179.500000113.2V36 C75 I76 S77 V84 L85V36-A79 HydrophobicContact CB-CB 4.16Å; V36-A79 HydrophobicContact CG1-CB 4.44Å; V36-A79 HydrophobicContact CG2-CB 4.01Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.08Å; I76-A79 PolarHBondContact O-N 2.99Å; S77-A79 VanDerWaalsContact C-N 3.31Å; S77-A79 PolarHBondContact O-N 3.4Å; A79-V84 PolarHBondContact O-N 3.06Å; A79-L85 HydrophobicContact CB-CD1 3.94Å; A79-L85 PolarHBondContact O-N 3.11Å
80I95.4Very high93.1Very high85 Ų8578.6 Ų78.644%0.43639%0.386SS..Hα-helixtrans-77.1-44.6173.8-66.7167.6000110.1I76 S77 C78 S82 K83I76-I80 HydrophobicContact CG2-CD1 3.87Å; I76-I80 WeakPolarHBondContact O-CG1 3.44Å; I76-I80 PolarHBondContact O-N 3.48Å; I76-I80 VanDerWaalsContact O-N 3.11Å; S77-I80 PolarHBondContact O-N 2.99Å; C78-I80 VanDerWaalsContact C-N 3.28Å; C78-I80 PolarHBondContact O-N 3.08Å; I80-S82 PolarHBondContact O-N 2.91Å; I80-K83 PolarHBondContact O-N 2.98Å
81H95.2Very high92.9Very high167 Ų16782.9 Ų82.977%0.77340%0.401SS*.Hα-helixtrans-61.3-44.5179.1-17676.8000112.2S77 C78 K83S77-H81 PolarHBondContact O-N 3.06Å; C78-H81 PolarHBondContact O-N 3.32Å; H81-K83 PolarHBondContact O-N 2.89Å; H81-K83 VanDerWaalsContact O-N 3.15Å
82S91.9Very high92.7Very high49 Ų4978.7 Ų78.734%0.34339%0.387SS..THydrogen-bonded Turntrans-76.56.3176.367.90000114C78 I80 V84C78-S82 WeakPolarHBondContact O-CB 3.46Å; C78-S82 PolarHBondContact O-N 3.05Å; C78-S82 PolarHBondContact O-OG 2.89Å; I80-S82 PolarHBondContact O-N 2.91Å; S82-V84 PolarHBondContact O-N 2.83Å; S82-V84 VanDerWaalsContact O-N 3.08Å; S82-V84 WeakPolarHBondContact OG-CG2 3.26Å
83K91.4Very high92.4Very high153 Ų15380.1 Ų80.167%0.66539%0.39SS*.THydrogen-bonded Turntrans58.419.7179.2-56.1170.1-176.6174.30113.8I80 H81I80-K83 PolarHBondContact O-N 2.98Å; H81-K83 PolarHBondContact O-N 2.89Å; H81-K83 VanDerWaalsContact O-N 3.15Å
84V90.2Very high92Very high54 Ų5488.9 Ų88.933%0.32742%0.422SS..SBendtrans-68.3-41.4172.7173.20000110.2V36 A79 S82V36-V84 HydrophobicContact CG1-CG1 4.27Å; A79-V84 PolarHBondContact O-N 3.06Å; S82-V84 PolarHBondContact O-N 2.83Å; S82-V84 VanDerWaalsContact O-N 3.08Å; S82-V84 WeakPolarHBondContact OG-CG2 3.26Å
85L90.4Very high91.7Very high61 Ų6192.8 Ų92.832%0.31944%0.444SS..SBendtrans-113.6148.5169.7-86.5141000110.1V36 A79V36-L85 HydrophobicContact CB-CD1 3.94Å; V36-L85 HydrophobicContact CG1-CD1 3.5Å; V36-L85 VanDerWaalsContact CG1-CD1 3.5Å; V36-L85 HydrophobicContact CG2-CD1 3.23Å; A79-L85 HydrophobicContact CB-CD1 3.94Å; A79-L85 PolarHBondContact O-N 3.11Å
86R91.2Very high91.1Very high159 Ų159102.1 Ų102.160%0.648%0.478SS*.  trans-127.9155.8176.2-67.1176.4177.9160.1-3.1110.2R88R86-R88 PolarHBondContact O-N 2.86Å
87N91Very high90.7Very high137 Ų137109.4 Ų109.473%0.73350%0.501SS*.  trans-63.4136.4171-96.5-6.5000109.8
88R90.4Very high89.9Confident72 Ų72113.1 Ų113.127%0.27251%0.514SS..  trans-122.8152.3-177.1-81.1-168.1-74.4164.9-9.5110R86 S92 R93 L95R86-R88 PolarHBondContact O-N 2.86Å; R88-S92 WeakPolarHBondContact CB-OG 3.44Å; R88-S92 PolarHBondContact NH1-O 3.22Å; R88-R93 HydrophobicContact CB-CG 4Å; R88-R93 PolarHBondContact O-NE 2.96Å; R88-R93 PolarHBondContact O-NH2 3.24Å; R88-R93 VanDerWaalsContact O-NH2 3.16Å; R88-L95 PolarHBondContact NH1-O 2.76Å
89S91.3Very high88.7Confident71 Ų71118.3 Ų118.350%0.49754%0.539SS..  trans-58.5162172.770.40000111.8E91 S92 R93S89-E91 VanDerWaalsContact C-N 3.25Å; S89-E91 PolarHBondContact O-N 3.09Å; S89-S92 PolarHBondContact N-OG 2.73Å; S89-S92 PolarHBondContact O-N 3.37Å; S89-S92 PolarHBondContact O-OG 2.99Å; S89-S92 WeakPolarHBondContact OG-CB 3.41Å; S89-S92 PolarHBondContact OG-N 2.91Å; S89-S92 PolarHBondContact OG-OG 2.91Å; S89-R93 VanDerWaalsContact O-CG 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.4Å; S89-R93 PolarHBondContact O-N 2.84Å; S89-R93 VanDerWaalsContact O-N 3.08Å
90R89.5Confident87.5Confident202 Ų202123.7 Ų123.776%0.76257%0.571SS**THydrogen-bonded Turntrans-56.1-41.9-175.8-175.5178.5178.9-178.9-2112
91E89.4Confident85.9Confident159 Ų159127.1 Ų127.174%0.74358%0.583SS**THydrogen-bonded Turntrans-74-49.7-179.2-62.8175.9162.400111.5S89 R93 R94S89-E91 VanDerWaalsContact C-N 3.25Å; S89-E91 PolarHBondContact O-N 3.09Å; E91-R93 PolarHBondContact O-N 2.89Å; E91-R93 VanDerWaalsContact O-N 3.08Å; E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 2.82Å
92S89.5Confident84.3Confident28 Ų28124.5 Ų124.520%0.19658%0.581CS.*THydrogen-bonded Turntrans-64.6-17.2-179.262.60000113.7R88 S89 R94 L95R88-S92 WeakPolarHBondContact CB-OG 3.44Å; R88-S92 PolarHBondContact NH1-O 3.22Å; S89-S92 PolarHBondContact N-OG 2.73Å; S89-S92 PolarHBondContact O-N 3.37Å; S89-S92 PolarHBondContact O-OG 2.99Å; S89-S92 WeakPolarHBondContact OG-CB 3.41Å; S89-S92 PolarHBondContact OG-N 2.91Å; S89-S92 PolarHBondContact OG-OG 2.91Å; S92-R94 PolarHBondContact O-N 3.34Å; S92-L95 WeakPolarHBondContact O-CB 3.23Å; S92-L95 PolarHBondContact O-N 3.07Å
93R88.6Confident83Confident71 Ų71133.8 Ų133.827%0.26861%0.608SS.*THydrogen-bonded Turntrans-64.8-25169.9-74.6166.5-163.1170.26.6113.4K4 R88 S89 E91K4-R93 VanDerWaalsContact CE-NH1 3.28Å; R88-R93 HydrophobicContact CB-CG 4Å; R88-R93 PolarHBondContact O-NE 2.96Å; R88-R93 PolarHBondContact O-NH2 3.24Å; R88-R93 VanDerWaalsContact O-NH2 3.16Å; S89-R93 VanDerWaalsContact O-CG 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.4Å; S89-R93 PolarHBondContact O-N 2.84Å; S89-R93 VanDerWaalsContact O-N 3.08Å; E91-R93 PolarHBondContact O-N 2.89Å; E91-R93 VanDerWaalsContact O-N 3.08Å
94R87.2Confident81.8Confident202 Ų202132.8 Ų132.876%0.76262%0.615SS**THydrogen-bonded Turntrans-76.5-26.5178.7-65.9-178.9178176-0.9111.6E91 S92 R96E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 2.82Å; S92-R94 PolarHBondContact O-N 3.34Å; R94-R96 PolarHBondContact O-N 3.49Å
95L88.2Confident80.4Confident108 Ų108139.7 Ų139.757%0.56564%0.641SS**  trans-63.5117174.5-63.4170.4000110.4R88 S92R88-L95 PolarHBondContact NH1-O 2.76Å; S92-L95 WeakPolarHBondContact O-CB 3.23Å; S92-L95 PolarHBondContact O-N 3.07Å
96R83.9Confident79Confident201 Ų201145.1 Ų145.176%0.75866%0.662SS**  trans-102.9-3.4178.5-62.6-171.5-171.317110.2114N7 R94N7-R96 PolarHBondContact ND2-NH2 3.36Å; N7-R96 VanDerWaalsContact ND2-NH2 3.11Å; R94-R96 PolarHBondContact O-N 3.49Å
97R85.2Confident77.7Confident222 Ų222142.6 Ų142.684%0.83867%0.669SS**SBendtrans-66.4146.6175.1-62.4-176.4-176.6-176.41109.7I99R97-I99 PolarHBondContact O-N 3.26Å
98I78Confident76.3Confident153 Ų153145.4 Ų145.479%0.78567%0.669SS**  trans-67.7123.3173.6-62.6170.1000107.2V100I98-V100 VanDerWaalsContact C-N 3.35Å; I98-V100 HydrophobicContact CG2-CG2 4.04Å; I98-V100 PolarHBondContact O-N 3.4Å
99I70.8Confident75Confident130 Ų130148 Ų14867%0.66770%0.695SS**  trans-79.992173.6-55.9169.4000106.2R97 K101R97-I99 PolarHBondContact O-N 3.26Å; I99-K101 PolarHBondContact O-N 2.93Å
100V69.1Low73.8Confident114 Ų114151 Ų15169%0.69171%0.71SS**  trans-75.3115.7171.6-172.70000106.3I98 P102I98-V100 VanDerWaalsContact C-N 3.35Å; I98-V100 HydrophobicContact CG2-CG2 4.04Å; I98-V100 PolarHBondContact O-N 3.4Å; V100-P102 WeakPolarHBondContact O-CD 3.36Å
101K62.4Low72.6Confident156 Ų156145 Ų14568%0.67870%0.704SS**  trans-66.7125164.5-81.4-168.8169.6-161.50106.9I99 R103I99-K101 PolarHBondContact O-N 2.93Å; K101-R103 PolarHBondContact O-N 3.08Å
102P61.1Low71.4Confident113 Ų113143.4 Ų143.473%0.73471%0.707SS**  trans-57.8119.2170.820.9-27.4000107.4V100 V104V100-P102 WeakPolarHBondContact O-CD 3.36Å; P102-V104 PolarHBondContact O-N 3.38Å
103R64.3Low70.1Confident243 Ų243152.7 Ų152.792%0.91774%0.738SS**  trans-72.193.2165.7-75-166.5-164.9-158.56.8105.4K101 K105K101-R103 PolarHBondContact O-N 3.08Å; R103-K105 PolarHBondContact O-N 3.08Å
104V65.2Low68.6Low132 Ų132157.6 Ų157.680%0.879%0.794SS**  trans-60.1107.9163.7-133.20000105P102 F106P102-V104 PolarHBondContact O-N 3.38Å; V104-F106 PolarHBondContact O-N 3.16Å
105K61.2Low67.7Low200 Ų200155.4 Ų155.487%0.8780%0.795SS**  trans-68.292.7171.6-77.9-175.3178.8-179.40105.5R103 S107R103-K105 PolarHBondContact O-N 3.08Å; K105-S107 PolarHBondContact O-N 3.39Å
106F61.2Low66.6Low174 Ų174157.8 Ų157.876%0.76381%0.807SS**  trans-69.892.4169.3-159.3-85.5000106V104 R108V104-F106 PolarHBondContact O-N 3.16Å; F106-R108 HydrophobicContact CD1-CG 3.61Å; F106-R108 HydrophobicContact CE1-CG 3.93Å; F106-R108 PolarHBondContact O-N 2.84Å
107S64.3Low65.6Low106 Ų106155.4 Ų155.474%0.74181%0.81SS**  trans-6690.6169.247.70000106.7K105K105-S107 PolarHBondContact O-N 3.39Å
108R62.1Low64.5Low196 Ų196151.5 Ų151.574%0.7481%0.808SS**  trans-63.9126.2163.8-68.9-171.1165.7-179.7-7.3106.1F106 V110F106-R108 HydrophobicContact CD1-CG 3.61Å; F106-R108 HydrophobicContact CE1-CG 3.93Å; F106-R108 PolarHBondContact O-N 2.84Å; R108-V110 PolarHBondContact O-N 2.69Å
109P63.2Low63.6Low127 Ų127151.4 Ų151.483%0.82581%0.81SS**  trans-60.4112.4169.624.6-29.7000106.7A111P109-A111 PolarHBondContact O-N 3.19Å
110V65.1Low63.1Low133 Ų133152.9 Ų152.981%0.80682%0.82SS**  trans-75.7112.4170.4-177.20000104.5R108R108-V110 PolarHBondContact O-N 2.69Å
111A63.8Low62.7Low76 Ų76155.6 Ų155.663%0.62883%0.829SS**PPolyproline II helixtrans-54.4138.5174.100000108.9P109 R113P109-A111 PolarHBondContact O-N 3.19Å; A111-R113 PolarHBondContact O-N 3.27Å
112P64.8Low62.8Low127 Ų127155.6 Ų155.683%0.82584%0.84SS**PPolyproline II helixtrans-56.6129.3173.824.8-31.8000107.9A114P112-A114 PolarHBondContact O-N 2.99Å
113R63.5Low62.9Low222 Ų222159.2 Ų159.284%0.83885%0.849SS**PPolyproline II helixtrans-68.1124.1169.6-68.1-177177.8-160.4-3.1106.2A111A111-R113 PolarHBondContact O-N 3.27Å
114A56Low62.8Low174 Ų174151.5 Ų151.5100%1.43884%0.843SS**  trans-570173.100000111.2P112P112-A114 PolarHBondContact O-N 2.99Å

Retrieved 114 of 114 residues in 19.4 ms (Link to these results)