A0A077ZL53_TRITR Loading...

Putative nudix hydrolase 6

AlphaFold DB , UniProt , Accession A0A077ZL53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 258 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
1M40.7Very low44.5Very low244 Ų244117.5 Ų117.5100%1.20262%0.621SS**  0135.50-95.4169-162.300108.8
2R46.7Very low43.3Very low240 Ų240115.7 Ų115.791%0.90664%0.635SS**PPolyproline II helixtrans-81.9131.9170.9-79.1-175.7178.6-178.31.8108.5
3P43.9Very low43Very low53 Ų53115.5 Ų115.534%0.34464%0.64SS.*PPolyproline II helixtrans-64.6141.8178.9-17.828.9000111.6G67 S69 D188P3-G67 WeakPolarHBondContact CB-O 3.47Å; P3-S69 PolarHBondContact O-OG 3.41Å; P3-D188 WeakPolarHBondContact CG-OD2 3.48Å
4T58.2Low43.2Very low90 Ų90120.7 Ų120.755%0.55266%0.664SS**EExtended strand (participates in β ladder)trans-70.4138.4178.3-36.60000110S69T4-S69 PolarHBondContact O-N 2.97Å
5F45.9Very low44Very low105 Ų105117.5 Ų117.546%0.46165%0.65SS.*EExtended strand (participates in β ladder)trans-101.4115.4-175-150.4-89.3000109.8V7 S69 G70 W77F5-V7 HydrophobicContact CD1-CG2 3.87Å; F5-V7 HydrophobicContact CE1-CG2 4.05Å; F5-S69 WeakPolarHBondContact CD2-OG 3.38Å; F5-G70 VanDerWaalsContact CE2-CA 3.48Å; F5-W77 HydrophobicContact CZ-CH2 4.08Å
6H49.2Very low45.8Very low118 Ų118115.6 Ų115.655%0.54665%0.654SS.*EExtended strand (participates in β ladder)trans-106.3136.2178-88.6-75.2000111.9
7V43.3Very low48.3Very low81 Ų81111.1 Ų111.149%0.49163%0.631SS.*EExtended strand (participates in β ladder)trans-133.9124178.1-167.20000109F5 K20F5-V7 HydrophobicContact CD1-CG2 3.87Å; F5-V7 HydrophobicContact CE1-CG2 4.05Å; V7-K20 HydrophobicContact CG1-CB 3.79Å; V7-K20 HydrophobicContact CG1-CD 3.93Å; V7-K20 HydrophobicContact CG1-CG 3.62Å
8N45Very low50.9Low68 Ų68105.6 Ų105.636%0.36460%0.6SS.*  trans-103.4126.8173.5-169.7-9.6000110.6T10 K20 L73N8-T10 PolarHBondContact OD1-OG1 2.7Å; N8-K20 WeakPolarHBondContact O-CE 3.44Å; N8-L73 HydrophobicContact CB-CD2 3.34Å; N8-L73 WeakPolarHBondContact ND2-CD2 3.42Å
9P40.2Very low53.1Low121 Ų121101.8 Ų101.879%0.78658%0.58SS**SBendtrans-80.6-8.9-173.327.2-34000117.5
10T35.8Very low54.9Low117 Ų11799.5 Ų99.572%0.71856%0.563SS**  trans-106.918.2-16535.10000118.1N8 A12N8-T10 PolarHBondContact OD1-OG1 2.7Å; T10-A12 VanDerWaalsContact C-N 3.3Å; T10-A12 PolarHBondContact O-N 3.36Å
11A40.2Very low56.5Low56 Ų56104.5 Ų104.546%0.46357%0.573SS.*  trans-82.468.4176.200000112.7
12A30.6Very low58.8Low95 Ų9594.8 Ų94.879%0.78552%0.524SS*.  trans-110.182.9176.900000111T10T10-A12 VanDerWaalsContact C-N 3.3Å; T10-A12 PolarHBondContact O-N 3.36Å
13T39.4Very low60.7Low114 Ų11494.4 Ų94.470%0.69952%0.523SS*.SBendtrans-126.1148.7159.939.80000108.7V15T13-V15 PolarHBondContact O-N 3.28Å
14L46.5Very low62.9Low188 Ų18895 Ų9598%0.98452%0.523SS*.SBendtrans-54.412.3-155.1-86.4145.1000120.1
15V54.3Low64.3Low73 Ų7395.9 Ų95.944%0.44253%0.53SS..SBendtrans-121.1116.5170.1-177.50000109.1T13 S17 R75T13-V15 PolarHBondContact O-N 3.28Å; V15-S17 PolarHBondContact O-N 3.41Å; V15-R75 PolarHBondContact O-NH2 2.85Å
16A72.4Confident66.4Low87 Ų8798.5 Ų98.572%0.71955%0.548SS*.PPolyproline II helixtrans-50.3125.8-172.700000112R76A16-R76 PolarHBondContact O-NH1 3.06Å; A16-R76 PolarHBondContact O-NH2 2.99Å; A16-R76 VanDerWaalsContact O-NH2 3.14Å
17S88.9Confident68.5Low39 Ų3994.4 Ų94.427%0.27353%0.529SS..PPolyproline II helixtrans-76.6158170.2-63.20000110.2V15V15-S17 PolarHBondContact O-N 3.41Å
18D95.2Very high70.9Confident11 Ų1198.9 Ų98.96%0.05954%0.542CS..PPolyproline II helixtrans-60.9150.7169.1-70.5-4.4000109.8K20 F27 R40 R75 R76 W77D18-K20 PolarHBondContact O-N 3.22Å; D18-F27 HydrophobicContact CB-CE2 3.93Å; D18-F27 HydrophobicContact CB-CZ 3.89Å; D18-F27 WeakPolarHBondContact OD2-CZ 3.33Å; D18-R40 IonicContact OD1-CZ 3.67Å; D18-R40 IonicContact OD1-NH1 2.88Å; D18-R40 IonicContact OD1-NH2 2.82Å; D18-R40 PolarHBondContact OD1-NH2 3.26Å; D18-R40 IonicContact OD2-CZ 3.71Å; D18-R40 IonicContact OD2-NH1 3.88Å; D18-R40 PolarHBondContact OD2-NH1 2.95Å; D18-R40 IonicContact OD2-NH2 3.97Å; D18-R40 PolarHBondContact OD2-NH2 2.05Å; D18-R40 VanDerWaalsContact OD2-NH2 3.13Å; D18-R75 WeakPolarHBondContact CB-O 3.42Å; D18-R75 PolarHBondContact N-O 2.67Å; D18-R76 IonicContact OD1-NH1 3.79Å; D18-R76 PolarHBondContact OD1-NH1 3.11Å; D18-R76 WeakPolarHBondContact OD2-CA 3.03Å; D18-W77 PolarHBondContact OD2-N 3.5Å
19P93.3Very high73.3Confident35 Ų3596.8 Ų96.823%0.22753%0.532CS..PPolyproline II helixtrans-62.6141.2177.823.5-30.2000110.9R21 D24 F27 W77P19-R21 PolarHBondContact O-N 3.23Å; P19-D24 HydrophobicContact CB-CB 4.01Å; P19-D24 HydrophobicContact CG-CB 3.81Å; P19-F27 VanDerWaalsContact CD-CD2 3.46Å; P19-F27 HydrophobicContact CG-CB 3.58Å; P19-F27 HydrophobicContact CG-CD1 3.86Å; P19-F27 HydrophobicContact CG-CD2 3.8Å; P19-F27 HydrophobicContact CG-CE1 4.49Å; P19-F27 HydrophobicContact CG-CE2 4.45Å; P19-F27 HydrophobicContact CG-CG 3.47Å; P19-F27 VanDerWaalsContact CG-CG 3.47Å; P19-W77 PolarHBondContact O-NE1 2.81Å
20K88.4Confident76Confident55 Ų5597.8 Ų97.824%0.23952%0.52CS..SBendtrans-62.3-30.9-179.4-64.7-53.3-164.3177.70112.6V7 N8 D18 L71 G72V7-K20 HydrophobicContact CG1-CB 3.79Å; V7-K20 HydrophobicContact CG1-CD 3.93Å; V7-K20 HydrophobicContact CG1-CG 3.62Å; N8-K20 WeakPolarHBondContact O-CE 3.44Å; D18-K20 PolarHBondContact O-N 3.22Å; K20-L71 HydrophobicContact CD-CD2 3.81Å; K20-G72 PolarHBondContact NZ-O 2.97Å
21R88.2Confident78.9Confident205 Ų20593.5 Ų93.577%0.77449%0.491SS*.SBendtrans-96.8121.6173-66.4-176.9-179.4-176.11.1108.7P19 R23 D24P19-R21 PolarHBondContact O-N 3.23Å; R21-R23 PolarHBondContact O-N 2.75Å; R21-D24 PolarHBondContact O-N 2.77Å
22F89.8Confident81.6Confident39 Ų3993 Ų9317%0.17148%0.481CS..THydrogen-bonded Turntrans-59.9-30.1179.7-169-91.8000113.5D24 F27 P29 F31 G57 I58 W77F22-D24 PolarHBondContact O-N 3.23Å; F22-F27 HydrophobicContact CD2-CE1 4.06Å; F22-F27 AromaticContact CE2-CE1 3.99Å; F22-F27 HydrophobicContact CE2-CE1 3.99Å; F22-P29 HydrophobicContact CE2-CG 4.46Å; F22-P29 HydrophobicContact CZ-CG 4.36Å; F22-F31 AromaticContact CE2-CE2 3.9Å; F22-F31 HydrophobicContact CE2-CE2 3.9Å; F22-F31 AromaticContact CE2-CZ 3.73Å; F22-F31 HydrophobicContact CE2-CZ 3.73Å; F22-F31 AromaticContact CZ-CE2 3.83Å; F22-F31 HydrophobicContact CZ-CE2 3.83Å; F22-F31 HydrophobicContact CZ-CZ 4.13Å; F22-G57 WeakPolarHBondContact CZ-O 3.41Å; F22-I58 HydrophobicContact CD1-CD1 4.22Å; F22-I58 HydrophobicContact CD1-CG1 3.69Å; F22-I58 HydrophobicContact CD2-CG1 4.39Å; F22-I58 HydrophobicContact CD2-CG2 4.35Å; F22-I58 HydrophobicContact CE1-CG1 3.71Å; F22-I58 HydrophobicContact CE2-CG1 4.39Å; F22-I58 HydrophobicContact CE2-CG2 4.43Å; F22-I58 HydrophobicContact CG-CD1 4.46Å; F22-I58 HydrophobicContact CG-CG1 4.07Å; F22-I58 HydrophobicContact CZ-CG1 4.1Å; F22-W77 HydrophobicContact CB-CH2 3.83Å; F22-W77 HydrophobicContact CB-CZ2 3.67Å; F22-W77 HydrophobicContact CB-CZ3 4.41Å; F22-W77 AromaticContact CD2-CD2 3.61Å; F22-W77 HydrophobicContact CD2-CD2 3.61Å; F22-W77 AromaticContact CD2-CE2 3.76Å; F22-W77 AromaticContact CD2-CE3 3.83Å; F22-W77 HydrophobicContact CD2-CE3 3.83Å; F22-W77 AromaticContact CD2-CG 3.97Å; F22-W77 HydrophobicContact CD2-CG 3.97Å; F22-W77 HydrophobicContact CD2-CH2 4.3Å; F22-W77 HydrophobicContact CD2-CZ2 4.14Å; F22-W77 HydrophobicContact CD2-CZ3 4.15Å; F22-W77 HydrophobicContact CE2-CD2 4.31Å; F22-W77 HydrophobicContact CE2-CG 4.31Å; F22-W77 HydrophobicContact CG-CZ2 4.43Å
23R87.2Confident84.7Confident233 Ų23391.3 Ų91.388%0.87946%0.461SS*.THydrogen-bonded Turntrans-84.419.3-174.5-60-175.1-177.1177.50.3114.3R21 P25R21-R23 PolarHBondContact O-N 2.75Å; R23-P25 WeakPolarHBondContact O-CD 3.06Å
24D89.6Confident87.4Confident64 Ų6489.1 Ų89.134%0.34244%0.442SS..  trans-61.4121.4172-173.2-39.8000109.3P19 R21 F22 L26 F27P19-D24 HydrophobicContact CB-CB 4.01Å; P19-D24 HydrophobicContact CG-CB 3.81Å; R21-D24 PolarHBondContact O-N 2.77Å; F22-D24 PolarHBondContact O-N 3.23Å; D24-L26 PolarHBondContact O-N 3.29Å; D24-L26 VanDerWaalsContact O-N 3.16Å; D24-L26 PolarHBondContact OD1-N 3.15Å; D24-F27 HydrophobicContact CB-CB 3.82Å; D24-F27 WeakPolarHBondContact O-CB 3.48Å; D24-F27 PolarHBondContact O-N 2.95Å
25P88.1Confident89.6Confident109 Ų10981.7 Ų81.771%0.70840%0.403SS*.THydrogen-bonded Turntrans-61-24.1-176.3-23.934.2000114.7R23 K28R23-P25 WeakPolarHBondContact O-CD 3.06Å; P25-K28 WeakPolarHBondContact O-CE 3.43Å
26L89.4Confident91.5Very high161 Ų16180.8 Ų80.884%0.84341%0.408SS*.THydrogen-bonded Turntrans-85.8-12.6177.3-60.1-180000112.1D24 K28D24-L26 PolarHBondContact O-N 3.29Å; D24-L26 VanDerWaalsContact O-N 3.16Å; D24-L26 PolarHBondContact OD1-N 3.15Å; L26-K28 PolarHBondContact O-N 2.91Å
27F93.2Very high92.4Very high31 Ų3185.5 Ų85.514%0.13641%0.413CS..  trans-90.399.9178.9-173.7-122.4000111.2D18 P19 F22 D24 P29 W77D18-F27 HydrophobicContact CB-CE2 3.93Å; D18-F27 HydrophobicContact CB-CZ 3.89Å; D18-F27 WeakPolarHBondContact OD2-CZ 3.33Å; P19-F27 VanDerWaalsContact CD-CD2 3.46Å; P19-F27 HydrophobicContact CG-CB 3.58Å; P19-F27 HydrophobicContact CG-CD1 3.86Å; P19-F27 HydrophobicContact CG-CD2 3.8Å; P19-F27 HydrophobicContact CG-CE1 4.49Å; P19-F27 HydrophobicContact CG-CE2 4.45Å; P19-F27 HydrophobicContact CG-CG 3.47Å; P19-F27 VanDerWaalsContact CG-CG 3.47Å; F22-F27 HydrophobicContact CD2-CE1 4.06Å; F22-F27 AromaticContact CE2-CE1 3.99Å; F22-F27 HydrophobicContact CE2-CE1 3.99Å; D24-F27 HydrophobicContact CB-CB 3.82Å; D24-F27 WeakPolarHBondContact O-CB 3.48Å; D24-F27 PolarHBondContact O-N 2.95Å; F27-P29 HydrophobicContact CD1-CG 4.08Å; F27-P29 HydrophobicContact CE1-CB 4.27Å; F27-P29 HydrophobicContact CE1-CG 3.58Å; F27-P29 HydrophobicContact CE2-CB 4.02Å; F27-P29 HydrophobicContact CE2-CG 4.15Å; F27-P29 HydrophobicContact CZ-CB 3.77Å; F27-P29 HydrophobicContact CZ-CG 3.61Å; F27-P29 VanDerWaalsContact O-CD 3.3Å; F27-P29 WeakPolarHBondContact O-CD 3.49Å; F27-W77 AromaticContact CE1-CD1 3.6Å; F27-W77 HydrophobicContact CE1-CG 4.29Å; F27-W77 AromaticContact CZ-CD1 3.67Å; F27-W77 HydrophobicContact CZ-CG 4.41Å
28K93.1Very high92.6Very high176 Ų17685.2 Ų85.277%0.76541%0.408SS*.  trans-120.665.9179.8-60.8-177.6-176.2178.30110.9P25 L26P25-K28 WeakPolarHBondContact O-CE 3.43Å; L26-K28 PolarHBondContact O-N 2.91Å
29P95.5Very high92.6Very high24 Ų2485.1 Ų85.116%0.15641%0.407CS..  trans-68148.7-176.431.4-38.7000112.2F22 F27 F31 D35F22-P29 HydrophobicContact CE2-CG 4.46Å; F22-P29 HydrophobicContact CZ-CG 4.36Å; F27-P29 HydrophobicContact CD1-CG 4.08Å; F27-P29 HydrophobicContact CE1-CB 4.27Å; F27-P29 HydrophobicContact CE1-CG 3.58Å; F27-P29 HydrophobicContact CE2-CB 4.02Å; F27-P29 HydrophobicContact CE2-CG 4.15Å; F27-P29 HydrophobicContact CZ-CB 3.77Å; F27-P29 HydrophobicContact CZ-CG 3.61Å; F27-P29 VanDerWaalsContact O-CD 3.3Å; F27-P29 WeakPolarHBondContact O-CD 3.49Å; P29-F31 HydrophobicContact CB-CE1 4.02Å; P29-F31 HydrophobicContact CB-CE2 3.97Å; P29-F31 HydrophobicContact CB-CZ 3.61Å; P29-F31 HydrophobicContact CG-CD2 4.37Å; P29-F31 HydrophobicContact CG-CE1 4.19Å; P29-F31 HydrophobicContact CG-CE2 3.41Å; P29-F31 VanDerWaalsContact CG-CE2 3.41Å; P29-F31 HydrophobicContact CG-CZ 3.29Å; P29-D35 WeakPolarHBondContact CA-OD2 3.36Å
30R96.7Very high92.7Very high142 Ų14283.8 Ų83.854%0.53640%0.398SS..  trans-107.7100.6169.7-61.5-177.8-63.6158.34.8110.1V33 D35 R40R30-V33 HydrophobicContact CB-CG2 3.46Å; R30-V33 VanDerWaalsContact CB-CG2 3.46Å; R30-V33 WeakPolarHBondContact O-CG2 3.27Å; R30-D35 HydrophobicContact CB-CB 4.33Å; R30-D35 IonicContact CZ-OD1 3.87Å; R30-D35 PolarHBondContact N-OD2 3.19Å; R30-D35 IonicContact NE-OD1 2.83Å; R30-D35 PolarHBondContact NE-OD1 3.37Å; R30-D35 IonicContact NH2-OD1 3.99Å; R30-D35 PolarHBondContact NH2-OD1 3.45Å; R30-R40 WeakPolarHBondContact O-CD 3.32Å
31F97Very high93.1Very high27 Ų2785 Ų8512%0.11840%0.401CS..THydrogen-bonded Turntrans-75.8157.6-178.9-65.2-60.7000112.9F22 P29 V33 R40 Y52 V54 G57 P59 W77F22-F31 AromaticContact CE2-CE2 3.9Å; F22-F31 HydrophobicContact CE2-CE2 3.9Å; F22-F31 AromaticContact CE2-CZ 3.73Å; F22-F31 HydrophobicContact CE2-CZ 3.73Å; F22-F31 AromaticContact CZ-CE2 3.83Å; F22-F31 HydrophobicContact CZ-CE2 3.83Å; F22-F31 HydrophobicContact CZ-CZ 4.13Å; P29-F31 HydrophobicContact CB-CE1 4.02Å; P29-F31 HydrophobicContact CB-CE2 3.97Å; P29-F31 HydrophobicContact CB-CZ 3.61Å; P29-F31 HydrophobicContact CG-CD2 4.37Å; P29-F31 HydrophobicContact CG-CE1 4.19Å; P29-F31 HydrophobicContact CG-CE2 3.41Å; P29-F31 VanDerWaalsContact CG-CE2 3.41Å; P29-F31 HydrophobicContact CG-CZ 3.29Å; F31-V33 PolarHBondContact O-N 3.03Å; F31-R40 HydrophobicContact CD1-CB 4.47Å; F31-Y52 HydrophobicContact CB-CE2 3.88Å; F31-Y52 WeakPolarHBondContact CB-OH 3.29Å; F31-Y52 HydrophobicContact CD1-CE2 4.26Å; F31-Y52 VanDerWaalsContact CD1-OH 3.3Å; F31-Y52 WeakPolarHBondContact CD1-OH 3.24Å; F31-Y52 HydrophobicContact CG-CE2 4.26Å; F31-V54 HydrophobicContact CB-CG2 3.65Å; F31-V54 HydrophobicContact CD2-CG1 4.04Å; F31-V54 HydrophobicContact CD2-CG2 4.33Å; F31-V54 HydrophobicContact CG-CG2 4.22Å; F31-G57 WeakPolarHBondContact CE2-O 3.06Å; F31-P59 HydrophobicContact CD1-CB 4.29Å; F31-P59 HydrophobicContact CD1-CG 4.27Å; F31-P59 HydrophobicContact CE1-CB 4.34Å; F31-P59 HydrophobicContact CE1-CG 3.83Å; F31-P59 HydrophobicContact CE2-CG 4.46Å; F31-P59 HydrophobicContact CZ-CG 3.95Å; F31-W77 HydrophobicContact CE1-CB 4.02Å; F31-W77 HydrophobicContact CZ-CB 4.09Å
32N97Very high93.4Very high44 Ų4476.1 Ų76.124%0.23537%0.367CS..THydrogen-bonded Turntrans59.217.9-175.4-65.1-64.1000115R40 T51 Y52N32-R40 PolarHBondContact N-O 3.2Å; N32-T51 HydrophobicContact CB-CG2 4.42Å; N32-T51 VanDerWaalsContact OD1-CA 3.27Å; N32-T51 WeakPolarHBondContact OD1-CA 3.15Å; N32-T51 WeakPolarHBondContact OD1-CB 3.47Å; N32-Y52 PolarHBondContact N-OH 2.83Å; N32-Y52 VanDerWaalsContact N-OH 3.1Å; N32-Y52 PolarHBondContact ND2-O 3.18Å; N32-Y52 VanDerWaalsContact OD1-CD1 3.27Å; N32-Y52 WeakPolarHBondContact OD1-CD1 3.4Å; N32-Y52 WeakPolarHBondContact OD1-CE1 3.42Å; N32-Y52 PolarHBondContact OD1-N 3.36Å
33V95.9Very high93.6Very high61 Ų6174.4 Ų74.437%0.3736%0.36SS..SBendtrans-140168.5176.2-61.60000111.1R30 F31 D35 R40R30-V33 HydrophobicContact CB-CG2 3.46Å; R30-V33 VanDerWaalsContact CB-CG2 3.46Å; R30-V33 WeakPolarHBondContact O-CG2 3.27Å; F31-V33 PolarHBondContact O-N 3.03Å; V33-D35 PolarHBondContact O-N 2.88Å; V33-R40 WeakPolarHBondContact O-CB 3.44Å; V33-R40 PolarHBondContact O-N 2.83Å; V33-R40 VanDerWaalsContact O-N 3.08Å
34K94.8Very high93.6Very high68 Ų6872.5 Ų72.530%0.29635%0.353SS..EExtended strand (participates in β ladder)trans-76.1106.9167.7-169.9171.4-176.9169.50108.8G36 D135 E138K34-G36 PolarHBondContact O-N 2.95Å; K34-D135 WeakPolarHBondContact CE-OD2 3.42Å; K34-D135 VanDerWaalsContact NZ-CG 3.34Å; K34-D135 IonicContact NZ-OD1 3Å; K34-D135 PolarHBondContact NZ-OD1 2.85Å; K34-D135 IonicContact NZ-OD2 2.88Å; K34-D135 PolarHBondContact NZ-OD2 2.95Å; K34-E138 IonicContact NZ-OE1 3.9Å; K34-E138 PolarHBondContact NZ-OE1 2.83Å; K34-E138 VanDerWaalsContact NZ-OE1 3.11Å
35D94.7Very high93.5Very high32 Ų3270.1 Ų70.117%0.17134%0.34CS..EExtended strand (participates in β ladder)trans-97.683.3-173.8-167.226.1000110.9P29 R30 V33 K37 I38 R40P29-D35 WeakPolarHBondContact CA-OD2 3.36Å; R30-D35 HydrophobicContact CB-CB 4.33Å; R30-D35 IonicContact CZ-OD1 3.87Å; R30-D35 PolarHBondContact N-OD2 3.19Å; R30-D35 IonicContact NE-OD1 2.83Å; R30-D35 PolarHBondContact NE-OD1 3.37Å; R30-D35 IonicContact NH2-OD1 3.99Å; R30-D35 PolarHBondContact NH2-OD1 3.45Å; V33-D35 PolarHBondContact O-N 2.88Å; D35-K37 PolarHBondContact O-N 2.89Å; D35-I38 WeakPolarHBondContact CA-O 3.33Å; D35-I38 PolarHBondContact N-O 2.96Å; D35-I38 PolarHBondContact O-N 2.99Å; D35-I38 VanDerWaalsContact O-N 3.16Å; D35-R40 HydrophobicContact CB-CG 4.09Å; D35-R40 IonicContact OD2-NE 3.13Å; D35-R40 PolarHBondContact OD2-NE 2.86Å; D35-R40 VanDerWaalsContact OD2-NE 3.14Å
36G92.6Very high93.1Very high54 Ų5471.6 Ų71.656%0.55734%0.342SS*.THydrogen-bonded Turntrans67.4-116.4-171.600000110.4K34K34-G36 PolarHBondContact O-N 2.95Å
37K91.5Very high92.5Very high186 Ų18667 Ų6781%0.80932%0.323SS*.THydrogen-bonded Turntrans-90.3-5.4177.5-61.6-174.4-179.8179.90113.7D35D35-K37 PolarHBondContact O-N 2.89Å
38I93.4Very high91.5Very high33 Ų3366.5 Ų66.517%0.16933%0.326CS..EExtended strand (participates in β ladder)trans-105.6117.9-176.6-57.9172.2000108.1D35 R40 R76D35-I38 WeakPolarHBondContact CA-O 3.33Å; D35-I38 PolarHBondContact N-O 2.96Å; D35-I38 PolarHBondContact O-N 2.99Å; D35-I38 VanDerWaalsContact O-N 3.16Å; I38-R40 HydrophobicContact CG2-CG 3.91Å; I38-R40 PolarHBondContact O-N 2.81Å; I38-R76 HydrophobicContact CG2-CG 4.42Å
39D95.2Very high90.6Very high9 Ų967.6 Ų67.65%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-79105170.9-161.9-12.5000109.9R41 D134 T136D39-R41 VanDerWaalsContact C-N 3.33Å; D39-R41 WeakPolarHBondContact OD1-CB 3.37Å; D39-R41 VanDerWaalsContact OD1-CG 3.3Å; D39-R41 WeakPolarHBondContact OD1-CG 3.45Å; D39-R41 IonicContact OD1-CZ 3.74Å; D39-R41 PolarHBondContact OD1-N 3.19Å; D39-R41 IonicContact OD1-NE 3.44Å; D39-R41 PolarHBondContact OD1-NE 2.97Å; D39-R41 IonicContact OD1-NH2 2.72Å; D39-R41 IonicContact OD2-CZ 3.41Å; D39-R41 IonicContact OD2-NE 2.92Å; D39-R41 PolarHBondContact OD2-NE 3.01Å; D39-R41 IonicContact OD2-NH2 2.99Å; D39-R41 PolarHBondContact OD2-NH2 3.27Å; D39-D134 WeakPolarHBondContact CB-O 3.42Å; D39-D134 PolarHBondContact N-O 3.17Å; D39-T136 PolarHBondContact OD2-OG1 2.99Å; D39-T136 VanDerWaalsContact OD2-OG1 3.06Å
40R96.4Very high90.1Very high7 Ų771.5 Ų71.53%0.02635%0.345CS..  trans-95.110.7176.7-59.4-175.9178-78.6-3.8111.4D18 R30 F31 N32 V33 D35 I38 Y52 W77D18-R40 IonicContact OD1-CZ 3.67Å; D18-R40 IonicContact OD1-NH1 2.88Å; D18-R40 IonicContact OD1-NH2 2.82Å; D18-R40 PolarHBondContact OD1-NH2 3.26Å; D18-R40 IonicContact OD2-CZ 3.71Å; D18-R40 IonicContact OD2-NH1 3.88Å; D18-R40 PolarHBondContact OD2-NH1 2.95Å; D18-R40 IonicContact OD2-NH2 3.97Å; D18-R40 PolarHBondContact OD2-NH2 2.05Å; D18-R40 VanDerWaalsContact OD2-NH2 3.13Å; R30-R40 WeakPolarHBondContact O-CD 3.32Å; F31-R40 HydrophobicContact CD1-CB 4.47Å; N32-R40 PolarHBondContact N-O 3.2Å; V33-R40 WeakPolarHBondContact O-CB 3.44Å; V33-R40 PolarHBondContact O-N 2.83Å; V33-R40 VanDerWaalsContact O-N 3.08Å; D35-R40 HydrophobicContact CB-CG 4.09Å; D35-R40 IonicContact OD2-NE 3.13Å; D35-R40 PolarHBondContact OD2-NE 2.86Å; D35-R40 VanDerWaalsContact OD2-NE 3.14Å; I38-R40 HydrophobicContact CG2-CG 3.91Å; I38-R40 PolarHBondContact O-N 2.81Å; R40-Y52 WeakPolarHBondContact O-CE1 3.4Å; R40-Y52 VanDerWaalsContact O-CZ 3.29Å; R40-Y52 PolarHBondContact O-OH 2.92Å; R40-W77 PolarHBondContact NH1-O 2.91Å
41R95.7Very high90Very high80 Ų8068.9 Ų68.930%0.30234%0.344SS..SBendtrans-79.9163.4172.4-58.8172.1-64.5171.36.6109.9D39 P79 D137D39-R41 VanDerWaalsContact C-N 3.33Å; D39-R41 WeakPolarHBondContact OD1-CB 3.37Å; D39-R41 VanDerWaalsContact OD1-CG 3.3Å; D39-R41 WeakPolarHBondContact OD1-CG 3.45Å; D39-R41 IonicContact OD1-CZ 3.74Å; D39-R41 PolarHBondContact OD1-N 3.19Å; D39-R41 IonicContact OD1-NE 3.44Å; D39-R41 PolarHBondContact OD1-NE 2.97Å; D39-R41 IonicContact OD1-NH2 2.72Å; D39-R41 IonicContact OD2-CZ 3.41Å; D39-R41 IonicContact OD2-NE 2.92Å; D39-R41 PolarHBondContact OD2-NE 3.01Å; D39-R41 IonicContact OD2-NH2 2.99Å; D39-R41 PolarHBondContact OD2-NH2 3.27Å; R41-P79 VanDerWaalsContact O-CG 3.22Å; R41-P79 WeakPolarHBondContact O-CG 3.29Å; R41-D137 IonicContact CZ-OD2 3.13Å; R41-D137 IonicContact NH1-OD2 3.43Å; R41-D137 IonicContact NH2-OD1 3.11Å; R41-D137 IonicContact NH2-OD2 2.63Å; R41-D137 PolarHBondContact NH2-OD2 3.28Å
42R94.9Very high89.9Confident19 Ų1967.9 Ų67.97%0.07234%0.34CS..PPolyproline II helixtrans-73.5150.4164.3-51.6-155.8-35.2-171.837.1109.8R49 T51 Y52 E193R42-R49 PolarHBondContact NE-O 3.26Å; R42-R49 PolarHBondContact NH2-O 2.84Å; R42-T51 PolarHBondContact NH1-O 3.38Å; R42-Y52 HydrophobicContact CG-CD1 3.56Å; R42-Y52 HydrophobicContact CG-CE1 4.19Å; R42-E193 VanDerWaalsContact CA-OE2 3.31Å; R42-E193 WeakPolarHBondContact CA-OE2 3.46Å; R42-E193 WeakPolarHBondContact CG-OE1 3.45Å
43V93.5Very high89.8Confident2 Ų268.9 Ų68.91%0.01235%0.349CS..PPolyproline II helixtrans-61.2143.2168.1-55.10000109.4T45 V81 T136 S178 G179 E193 N195V43-T45 HydrophobicContact CG2-CG2 4.35Å; V43-V81 HydrophobicContact CG1-CB 4.31Å; V43-V81 HydrophobicContact CG1-CG1 3.7Å; V43-V81 HydrophobicContact CG1-CG2 3.6Å; V43-T136 HydrophobicContact CG1-CG2 4.19Å; V43-S178 VanDerWaalsContact CG2-OG 3.23Å; V43-S178 WeakPolarHBondContact CG2-OG 3.23Å; V43-G179 VanDerWaalsContact CG2-CA 3.41Å; V43-E193 HydrophobicContact CG1-CB 4.05Å; V43-E193 HydrophobicContact CG2-CB 4.11Å; V43-E193 VanDerWaalsContact CG2-OE2 3.29Å; V43-E193 WeakPolarHBondContact CG2-OE2 3.22Å; V43-E193 PolarHBondContact N-OE2 2.95Å; V43-N195 HydrophobicContact CG1-CB 4.29Å
44R88.5Confident89.9Confident194 Ų19468.9 Ų68.973%0.73235%0.349SS*.PPolyproline II helixtrans-71.8133179.3-174.4176.6175.4175.9-0.6110L50 S178R44-L50 HydrophobicContact CG-CD2 4.31Å; R44-S178 WeakPolarHBondContact O-CB 3.42Å; R44-S178 PolarHBondContact O-OG 3.21Å
45T86.1Confident89.8Confident14 Ų1471.8 Ų71.89%0.08636%0.364CS..  trans-133.4154.1172.966.90000108.2V43 C47 G48 S178 G179V43-T45 HydrophobicContact CG2-CG2 4.35Å; T45-C47 VanDerWaalsContact C-N 3.27Å; T45-C47 PolarHBondContact O-N 2.99Å; T45-G48 WeakPolarHBondContact OG1-CA 3.22Å; T45-G48 PolarHBondContact OG1-N 3.4Å; T45-S178 VanDerWaalsContact CG2-O 3.22Å; T45-S178 WeakPolarHBondContact CG2-O 3.36Å; T45-G179 VanDerWaalsContact CG2-CA 3.5Å
46D79.3Confident89.7Confident139 Ų13980.4 Ų80.474%0.74340%0.4SS*.SBendtrans-72-23.2-179.6-53.6-42.6000112.9
47C78.3Confident89.7Confident66 Ų6679.7 Ų79.745%0.44639%0.392SS..SBendtrans-115.9-16.9-171.5-41.90000113.7T45 C255T45-C47 VanDerWaalsContact C-N 3.27Å; T45-C47 PolarHBondContact O-N 2.99Å; C47-C255 HydrophobicContact CB-CB 3.64Å; C47-C255 WeakPolarHBondContact CB-SG 3.29Å; C47-C255 PolarHBondContact N-SG 2.9Å; C47-C255 VanDerWaalsContact SG-C 3.51Å; C47-C255 WeakPolarHBondContact SG-CA 3.32Å; C47-C255 WeakPolarHBondContact SG-CB 3.36Å; C47-C255 CovalentContact SG-SG 2.05Å; C47-C255 PolarHBondContact SG-SG 3.4Å
48G71.1Confident89.9Confident20 Ų2073.3 Ų73.321%0.20637%0.366CS..SBendtrans-89.8156.9-172.700000113.7T45T45-G48 WeakPolarHBondContact OG1-CA 3.22Å; T45-G48 PolarHBondContact OG1-N 3.4Å
49R75.3Confident90.1Very high198 Ų19871.7 Ų71.775%0.74736%0.358SS*.  trans-59147.6169.7-65172.9178165.8-2.7109.8R42R42-R49 PolarHBondContact NE-O 3.26Å; R42-R49 PolarHBondContact NH2-O 2.84Å
50L84.6Confident90.2Very high107 Ų10772.1 Ų72.156%0.5636%0.362SS*.SBendtrans-93.4-7.2179.1-64.9176.9000113.1R44R44-L50 HydrophobicContact CG-CD2 4.31Å
51T93.4Very high90.2Very high86 Ų8672.2 Ų72.253%0.52836%0.364SS..  trans-129.1162.5-177.958.70000111.2N32 R42N32-T51 HydrophobicContact CB-CG2 4.42Å; N32-T51 VanDerWaalsContact OD1-CA 3.27Å; N32-T51 WeakPolarHBondContact OD1-CA 3.15Å; N32-T51 WeakPolarHBondContact OD1-CB 3.47Å; R42-T51 PolarHBondContact NH1-O 3.38Å
52Y95.3Very high90.1Very high6 Ų670 Ų702%0.02436%0.36CS..  trans-123.3155.1169.652.4-94000110.7F31 N32 R40 R42 V54 P59 P79 W191F31-Y52 HydrophobicContact CB-CE2 3.88Å; F31-Y52 WeakPolarHBondContact CB-OH 3.29Å; F31-Y52 HydrophobicContact CD1-CE2 4.26Å; F31-Y52 VanDerWaalsContact CD1-OH 3.3Å; F31-Y52 WeakPolarHBondContact CD1-OH 3.24Å; F31-Y52 HydrophobicContact CG-CE2 4.26Å; N32-Y52 PolarHBondContact N-OH 2.83Å; N32-Y52 VanDerWaalsContact N-OH 3.1Å; N32-Y52 PolarHBondContact ND2-O 3.18Å; N32-Y52 VanDerWaalsContact OD1-CD1 3.27Å; N32-Y52 WeakPolarHBondContact OD1-CD1 3.4Å; N32-Y52 WeakPolarHBondContact OD1-CE1 3.42Å; N32-Y52 PolarHBondContact OD1-N 3.36Å; R40-Y52 WeakPolarHBondContact O-CE1 3.4Å; R40-Y52 VanDerWaalsContact O-CZ 3.29Å; R40-Y52 PolarHBondContact O-OH 2.92Å; R42-Y52 HydrophobicContact CG-CD1 3.56Å; R42-Y52 HydrophobicContact CG-CE1 4.19Å; Y52-V54 HydrophobicContact CD2-CG2 4.1Å; Y52-V54 HydrophobicContact CE2-CG2 3.86Å; Y52-P59 HydrophobicContact CD2-CB 3.96Å; Y52-P59 HydrophobicContact CE2-CB 3.6Å; Y52-P79 HydrophobicContact CE1-CG 3.89Å; Y52-W191 AromaticContact CD1-CH2 3.88Å; Y52-W191 HydrophobicContact CD1-CH2 3.88Å; Y52-W191 AromaticContact CD1-CZ2 3.58Å; Y52-W191 HydrophobicContact CD1-CZ2 3.58Å; Y52-W191 AromaticContact CD2-CH2 3.66Å; Y52-W191 HydrophobicContact CD2-CH2 3.66Å; Y52-W191 HydrophobicContact CD2-CZ2 4.24Å; Y52-W191 HydrophobicContact CE1-CH2 4.36Å; Y52-W191 HydrophobicContact CE1-CZ2 4.15Å; Y52-W191 HydrophobicContact CE2-CH2 4.18Å; Y52-W191 AromaticContact CG-CH2 3.49Å; Y52-W191 HydrophobicContact CG-CH2 3.49Å; Y52-W191 VanDerWaalsContact CG-CH2 3.49Å; Y52-W191 AromaticContact CG-CZ2 3.62Å; Y52-W191 HydrophobicContact CG-CZ2 3.62Å
53P96.5Very high89.9Confident66 Ų6670.5 Ų70.543%0.42937%0.367SS..  trans-65.6141.2177.9-14.228000111A60P53-A60 HydrophobicContact CB-CB 4.19Å; P53-A60 PolarHBondContact O-N 3.04Å
54V96.9Very high89.8Confident61 Ų6172 Ų7237%0.3738%0.384SS..EExtended strand (participates in β ladder)trans-119.1111170.3-179.30000106.9F31 Y52 G57 I58F31-V54 HydrophobicContact CB-CG2 3.65Å; F31-V54 HydrophobicContact CD2-CG1 4.04Å; F31-V54 HydrophobicContact CD2-CG2 4.33Å; F31-V54 HydrophobicContact CG-CG2 4.22Å; Y52-V54 HydrophobicContact CD2-CG2 4.1Å; Y52-V54 HydrophobicContact CE2-CG2 3.86Å; V54-G57 VanDerWaalsContact CG1-C 3.46Å; V54-I58 CarbonylContact C-O 3.53Å; V54-I58 WeakPolarHBondContact CA-O 3.07Å
55Q93.5Very high89.9Confident129 Ų12970.3 Ų70.360%0.60339%0.388SS*.EExtended strand (participates in β ladder)trans-109.7120.4-174.7-62.2-177.713.300109.6G57 I58Q55-G57 PolarHBondContact O-N 2.61Å; Q55-I58 PolarHBondContact N-O 3.19Å; Q55-I58 PolarHBondContact O-N 2.86Å
56K91.8Very high90.1Very high213 Ų21371.9 Ų71.993%0.92640%0.397SS*.THydrogen-bonded Turntrans52.238.7-176.6-56.5-179.9-179.9179.50112.3I58K56-I58 VanDerWaalsContact C-N 3.27Å; K56-I58 PolarHBondContact O-N 3.11Å
57G93.7Very high90.8Very high38 Ų3867.3 Ų67.339%0.39238%0.383SS..THydrogen-bonded Turntrans81.7-10.6-177.200000115.2F22 F31 V54 Q55F22-G57 WeakPolarHBondContact CZ-O 3.41Å; F31-G57 WeakPolarHBondContact CE2-O 3.06Å; V54-G57 VanDerWaalsContact CG1-C 3.46Å; Q55-G57 PolarHBondContact O-N 2.61Å
58I95.3Very high91.5Very high52 Ų5270 Ų7027%0.26738%0.384SS..EExtended strand (participates in β ladder)trans-97.9132.5-175.9-50.6178.8000109.8F22 V54 Q55 K56 W77 N189F22-I58 HydrophobicContact CD1-CD1 4.22Å; F22-I58 HydrophobicContact CD1-CG1 3.69Å; F22-I58 HydrophobicContact CD2-CG1 4.39Å; F22-I58 HydrophobicContact CD2-CG2 4.35Å; F22-I58 HydrophobicContact CE1-CG1 3.71Å; F22-I58 HydrophobicContact CE2-CG1 4.39Å; F22-I58 HydrophobicContact CE2-CG2 4.43Å; F22-I58 HydrophobicContact CG-CD1 4.46Å; F22-I58 HydrophobicContact CG-CG1 4.07Å; F22-I58 HydrophobicContact CZ-CG1 4.1Å; V54-I58 CarbonylContact C-O 3.53Å; V54-I58 WeakPolarHBondContact CA-O 3.07Å; Q55-I58 PolarHBondContact N-O 3.19Å; Q55-I58 PolarHBondContact O-N 2.86Å; K56-I58 VanDerWaalsContact C-N 3.27Å; K56-I58 PolarHBondContact O-N 3.11Å; I58-W77 HydrophobicContact CG2-CE3 4.32Å; I58-W77 HydrophobicContact CG2-CZ3 4.15Å; I58-N189 HydrophobicContact CG2-CB 4.09Å; I58-N189 WeakPolarHBondContact CG2-ND2 3.5Å
59P97.6Very high92.6Very high0 Ų070 Ų700%038%0.381CS..EExtended strand (participates in β ladder)trans-63.9142.517527-34.4000110.7F31 Y52 W77 N189 W191F31-P59 HydrophobicContact CD1-CB 4.29Å; F31-P59 HydrophobicContact CD1-CG 4.27Å; F31-P59 HydrophobicContact CE1-CB 4.34Å; F31-P59 HydrophobicContact CE1-CG 3.83Å; F31-P59 HydrophobicContact CE2-CG 4.46Å; F31-P59 HydrophobicContact CZ-CG 3.95Å; Y52-P59 HydrophobicContact CD2-CB 3.96Å; Y52-P59 HydrophobicContact CE2-CB 3.6Å; P59-W77 HydrophobicContact CG-CB 3.93Å; P59-N189 WeakPolarHBondContact CG-O 3.18Å; P59-N189 VanDerWaalsContact O-CA 3.29Å; P59-N189 WeakPolarHBondContact O-CA 3.26Å; P59-N189 WeakPolarHBondContact O-CB 3.34Å; P59-N189 PolarHBondContact O-ND2 2.82Å; P59-W191 HydrophobicContact CB-CH2 4.27Å; P59-W191 HydrophobicContact CB-CZ3 4.29Å
60A96.9Very high93.5Very high17 Ų1760.5 Ų60.514%0.1435%0.345CS..  trans-115.6135.7174.900000110.3P53 D188 W191P53-A60 HydrophobicContact CB-CB 4.19Å; P53-A60 PolarHBondContact O-N 3.04Å; A60-D188 CarbonylContact C-O 3.5Å; A60-D188 VanDerWaalsContact CA-O 3.32Å; A60-D188 WeakPolarHBondContact CA-O 3.47Å; A60-W191 WeakPolarHBondContact O-CH2 3.32Å; A60-W191 WeakPolarHBondContact O-CZ3 3.33Å
61N95.6Very high93.9Very high10 Ų1055.6 Ų55.65%0.05332%0.319CS..  trans-60.7121.8-179.5-174.8-17.1000110.9A63 G64 T187 D188 W191N61-A63 PolarHBondContact O-N 3.27Å; N61-A63 WeakPolarHBondContact OD1-CB 3.09Å; N61-A63 PolarHBondContact OD1-N 3.38Å; N61-G64 PolarHBondContact O-N 2.94Å; N61-T187 WeakPolarHBondContact CB-O 3.27Å; N61-T187 PolarHBondContact ND2-O 2.91Å; N61-D188 PolarHBondContact N-O 2.83Å; N61-W191 VanDerWaalsContact CA-CE3 3.45Å; N61-W191 VanDerWaalsContact CA-CZ3 3.47Å; N61-W191 HydrophobicContact CB-CD2 4.37Å; N61-W191 HydrophobicContact CB-CE3 3.75Å; N61-W191 HydrophobicContact CB-CZ3 4.22Å
62P93.3Very high93.8Very high34 Ų3451.8 Ų51.822%0.22130%0.298CS..THydrogen-bonded Turntrans-68.1-19.1-177.827.9-35.5000113.5W191P62-W191 VanDerWaalsContact CD-CZ2 3.4Å; P62-W191 HydrophobicContact CG-CZ2 4.07Å
63A91.3Very high93.6Very high28 Ų2855 Ų5523%0.23132%0.315CS..THydrogen-bonded Turntrans-81.7-0.817400000112.9N61 Y251N61-A63 PolarHBondContact O-N 3.27Å; N61-A63 WeakPolarHBondContact OD1-CB 3.09Å; N61-A63 PolarHBondContact OD1-N 3.38Å; A63-Y251 HydrophobicContact CB-CD1 3.96Å; A63-Y251 HydrophobicContact CB-CE1 3.68Å
64G91.4Very high93.6Very high35 Ų3552 Ų5236%0.36130%0.295SS..  trans101.8-170.2177.400000114N61N61-G64 PolarHBondContact O-N 2.94Å
65I91.3Very high93.4Very high158 Ų15851.4 Ų51.481%0.8129%0.286SS*.  trans-74.4137.7-179.961.6174.3000110.7D188I65-D188 WeakPolarHBondContact CA-OD1 3.46Å
66T90.7Very high93.5Very high47 Ų4745.8 Ų45.829%0.28826%0.259SS..  trans-103.6-18.5178.264.50000111.9Y68 N186 T187 D188T66-Y68 PolarHBondContact OG1-N 3.41Å; T66-Y68 PolarHBondContact OG1-O 3.37Å; T66-N186 HydrophobicContact CG2-CB 4.25Å; T66-T187 VanDerWaalsContact OG1-C 3.25Å; T66-T187 VanDerWaalsContact OG1-CA 3.29Å; T66-T187 WeakPolarHBondContact OG1-CA 3.5Å; T66-D188 PolarHBondContact N-OD1 3.38Å; T66-D188 PolarHBondContact OG1-N 2.9Å; T66-D188 PolarHBondContact OG1-OD1 3.41Å
67G92.9Very high93.8Very high42 Ų4235.8 Ų35.843%0.43322%0.216SC..SBendtrans91-5.7-172.600000114P3 D188P3-G67 WeakPolarHBondContact CB-O 3.47Å; G67-D188 PolarHBondContact N-OD1 2.79Å
68Y93.4Very high93.9Very high122 Ų12234 Ų3448%0.47820%0.197SC..EExtended strand (participates in β ladder)trans-119.7130.6176.1-59.9-76.1000110.1T66 T187 D188T66-Y68 PolarHBondContact OG1-N 3.41Å; T66-Y68 PolarHBondContact OG1-O 3.37Å; Y68-T187 CarbonylContact O-C 3.57Å; Y68-T187 WeakPolarHBondContact O-CA 3.32Å; Y68-T187 VanDerWaalsContact O-CB 3.27Å; Y68-T187 WeakPolarHBondContact O-CB 3.4Å; Y68-D188 WeakPolarHBondContact O-CB 3.13Å; Y68-D188 PolarHBondContact O-N 2.91Å
69S93.1Very high94Very high20 Ų2031.8 Ų31.814%0.1419%0.186CC..EExtended strand (participates in β ladder)trans-105.9164.3178.364.50000112.3P3 T4 F5P3-S69 PolarHBondContact O-OG 3.41Å; T4-S69 PolarHBondContact O-N 2.97Å; F5-S69 WeakPolarHBondContact CD2-OG 3.38Å
70G94.1Very high94Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans92.8-168.3175.500000113.9F5 W77 T187 N189F5-G70 VanDerWaalsContact CE2-CA 3.48Å; G70-W77 VanDerWaalsContact CA-CH2 3.49Å; G70-T187 WeakPolarHBondContact O-CB 3.34Å; G70-T187 PolarHBondContact O-OG1 3.01Å; G70-N189 PolarHBondContact N-OD1 3.32Å
71L93.6Very high94Very high3 Ų331.5 Ų31.52%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-74.5-28.6-178-173.365.4000113.1K20 L73 F74 R76 W77 A190K20-L71 HydrophobicContact CD-CD2 3.81Å; L71-L73 PolarHBondContact O-N 3.35Å; L71-F74 HydrophobicContact CD1-CB 4.23Å; L71-F74 WeakPolarHBondContact CD2-O 3.49Å; L71-F74 WeakPolarHBondContact CG-O 3.26Å; L71-F74 WeakPolarHBondContact O-CB 3.44Å; L71-F74 PolarHBondContact O-N 3.03Å; L71-R76 WeakPolarHBondContact CD1-O 3.22Å; L71-W77 HydrophobicContact CB-CD2 4.3Å; L71-W77 HydrophobicContact CB-CH2 4.44Å; L71-W77 HydrophobicContact CB-CZ2 3.96Å; L71-W77 HydrophobicContact CD1-CD2 4.21Å; L71-W77 HydrophobicContact CD1-CG 4.02Å; L71-A190 HydrophobicContact CD1-CB 4.13Å
72G90.9Very high94Very high7 Ų733.5 Ų33.57%0.07219%0.19CC..EExtended strand (participates in β ladder)trans58.1-129.6-175.200000112.8K20K20-G72 PolarHBondContact NZ-O 2.97Å
73L92.1Very high94.2Very high73 Ų7331.9 Ų31.938%0.38218%0.179SC..THydrogen-bonded Turntrans-86.7-6179.7-66.9177000113.9N8 L71 W185N8-L73 HydrophobicContact CB-CD2 3.34Å; N8-L73 WeakPolarHBondContact ND2-CD2 3.42Å; L71-L73 PolarHBondContact O-N 3.35Å; L73-W185 HydrophobicContact CB-CB 4.41Å; L73-W185 HydrophobicContact CB-CD2 4.04Å; L73-W185 HydrophobicContact CB-CE3 4.34Å; L73-W185 HydrophobicContact CB-CG 4.09Å; L73-W185 VanDerWaalsContact CD1-CD1 3.48Å; L73-W185 HydrophobicContact CD1-CD2 4.06Å; L73-W185 HydrophobicContact CD1-CG 3.89Å
74F95.5Very high94.5Very high3 Ų332.1 Ų32.11%0.01318%0.175CC..  trans-76.3166.8179.3-71.7-59000113L71 N80 F132 W185 A190 L192L71-F74 HydrophobicContact CD1-CB 4.23Å; L71-F74 WeakPolarHBondContact CD2-O 3.49Å; L71-F74 WeakPolarHBondContact CG-O 3.26Å; L71-F74 WeakPolarHBondContact O-CB 3.44Å; L71-F74 PolarHBondContact O-N 3.03Å; F74-N80 WeakPolarHBondContact CB-ND2 3.41Å; F74-N80 WeakPolarHBondContact CB-OD1 3.48Å; F74-N80 HydrophobicContact CD1-CB 3.57Å; F74-N80 HydrophobicContact CE1-CB 3.99Å; F74-N80 HydrophobicContact CG-CB 4.18Å; F74-F132 HydrophobicContact CD1-CE1 4.45Å; F74-F132 HydrophobicContact CD1-CZ 4.49Å; F74-F132 HydrophobicContact CE1-CE1 4.37Å; F74-F132 HydrophobicContact CE1-CZ 4.36Å; F74-W185 HydrophobicContact CD1-CE3 4.49Å; F74-W185 HydrophobicContact CE1-CB 4.28Å; F74-W185 HydrophobicContact CE1-CE3 4.08Å; F74-W185 VanDerWaalsContact CE2-C 3.49Å; F74-W185 HydrophobicContact CE2-CB 3.84Å; F74-W185 WeakPolarHBondContact CE2-O 3.36Å; F74-W185 HydrophobicContact CZ-CB 3.68Å; F74-A190 HydrophobicContact CB-CB 4.07Å; F74-A190 HydrophobicContact CD2-CB 3.67Å; F74-A190 WeakPolarHBondContact CE2-O 3.48Å; F74-A190 HydrophobicContact CG-CB 4.26Å; F74-L192 HydrophobicContact CE1-CB 4.2Å; F74-L192 HydrophobicContact CE1-CD1 4.26Å; F74-L192 HydrophobicContact CZ-CB 3.89Å
75R93.1Very high94.8Very high49 Ų4930.4 Ų30.419%0.18516%0.158CC..SBendtrans-97.6-26.3178.3-65.7176.162.8-146.9-1.7112.1V15 D18 N80V15-R75 PolarHBondContact O-NH2 2.85Å; D18-R75 WeakPolarHBondContact CB-O 3.42Å; D18-R75 PolarHBondContact N-O 2.67Å; R75-N80 PolarHBondContact N-OD1 2.85Å
76R96.1Very high95.1Very high10 Ų1022.9 Ų22.94%0.03812%0.119CC..SBendtrans-120.5138-176-50-59.8173.6-152.3-1.8111.5A16 D18 I38 L71 N80 D134A16-R76 PolarHBondContact O-NH1 3.06Å; A16-R76 PolarHBondContact O-NH2 2.99Å; A16-R76 VanDerWaalsContact O-NH2 3.14Å; D18-R76 IonicContact OD1-NH1 3.79Å; D18-R76 PolarHBondContact OD1-NH1 3.11Å; D18-R76 WeakPolarHBondContact OD2-CA 3.03Å; I38-R76 HydrophobicContact CG2-CG 4.42Å; L71-R76 WeakPolarHBondContact CD1-O 3.22Å; R76-N80 WeakPolarHBondContact CB-OD1 3.43Å; R76-N80 PolarHBondContact N-OD1 2.68Å; R76-N80 PolarHBondContact O-ND2 2.68Å; R76-D134 IonicContact CZ-OD1 2.79Å; R76-D134 IonicContact CZ-OD2 3.95Å; R76-D134 IonicContact NE-OD1 3.48Å; R76-D134 PolarHBondContact NE-OD1 2.82Å; R76-D134 IonicContact NE-OD2 3.39Å; R76-D134 VanDerWaalsContact NH2-CG 3.33Å; R76-D134 IonicContact NH2-OD1 3.62Å; R76-D134 PolarHBondContact NH2-OD1 2.96Å; R76-D134 VanDerWaalsContact NH2-OD1 3.13Å; R76-D134 IonicContact NH2-OD2 3.6Å; R76-D134 PolarHBondContact NH2-OD2 3.22Å
77W97.1Very high95.4Very high4 Ų420.7 Ų20.72%0.01511%0.105CC..SBendtrans-68.5134.2164.2-70.991.4000109F5 D18 P19 F22 F27 F31 R40 I58 P59 G70 L71 N189F5-W77 HydrophobicContact CZ-CH2 4.08Å; D18-W77 PolarHBondContact OD2-N 3.5Å; P19-W77 PolarHBondContact O-NE1 2.81Å; F22-W77 HydrophobicContact CB-CH2 3.83Å; F22-W77 HydrophobicContact CB-CZ2 3.67Å; F22-W77 HydrophobicContact CB-CZ3 4.41Å; F22-W77 AromaticContact CD2-CD2 3.61Å; F22-W77 HydrophobicContact CD2-CD2 3.61Å; F22-W77 AromaticContact CD2-CE2 3.76Å; F22-W77 AromaticContact CD2-CE3 3.83Å; F22-W77 HydrophobicContact CD2-CE3 3.83Å; F22-W77 AromaticContact CD2-CG 3.97Å; F22-W77 HydrophobicContact CD2-CG 3.97Å; F22-W77 HydrophobicContact CD2-CH2 4.3Å; F22-W77 HydrophobicContact CD2-CZ2 4.14Å; F22-W77 HydrophobicContact CD2-CZ3 4.15Å; F22-W77 HydrophobicContact CE2-CD2 4.31Å; F22-W77 HydrophobicContact CE2-CG 4.31Å; F22-W77 HydrophobicContact CG-CZ2 4.43Å; F27-W77 AromaticContact CE1-CD1 3.6Å; F27-W77 HydrophobicContact CE1-CG 4.29Å; F27-W77 AromaticContact CZ-CD1 3.67Å; F27-W77 HydrophobicContact CZ-CG 4.41Å; F31-W77 HydrophobicContact CE1-CB 4.02Å; F31-W77 HydrophobicContact CZ-CB 4.09Å; R40-W77 PolarHBondContact NH1-O 2.91Å; I58-W77 HydrophobicContact CG2-CE3 4.32Å; I58-W77 HydrophobicContact CG2-CZ3 4.15Å; P59-W77 HydrophobicContact CG-CB 3.93Å; G70-W77 VanDerWaalsContact CA-CH2 3.49Å; L71-W77 HydrophobicContact CB-CD2 4.3Å; L71-W77 HydrophobicContact CB-CH2 4.44Å; L71-W77 HydrophobicContact CB-CZ2 3.96Å; L71-W77 HydrophobicContact CD1-CD2 4.21Å; L71-W77 HydrophobicContact CD1-CG 4.02Å; W77-N189 HydrophobicContact CE3-CB 3.68Å; W77-N189 HydrophobicContact CZ3-CB 3.54Å
78G97.4Very high95.4Very high0 Ų018.7 Ų18.70%09%0.085CC..EExtended strand (participates in β ladder)trans86-140.4-172.900000113N80 N189 A190 W191G78-N80 PolarHBondContact O-ND2 2.83Å; G78-N80 VanDerWaalsContact O-ND2 3.11Å; G78-N189 WeakPolarHBondContact CA-O 3.49Å; G78-N189 PolarHBondContact N-O 3.39Å; G78-A190 VanDerWaalsContact O-CA 3.26Å; G78-A190 WeakPolarHBondContact O-CA 3.46Å; G78-W191 PolarHBondContact O-N 3.16Å
79P97Very high95.1Very high5 Ų514.7 Ų14.73%0.0327%0.069CC..EExtended strand (participates in β ladder)trans-70.5139.1-176.328.9-33.2000111.7R41 Y52 W191 E193R41-P79 VanDerWaalsContact O-CG 3.22Å; R41-P79 WeakPolarHBondContact O-CG 3.29Å; Y52-P79 HydrophobicContact CE1-CG 3.89Å; P79-W191 HydrophobicContact CB-CZ2 4.27Å; P79-W191 HydrophobicContact CG-CZ2 4.48Å; P79-E193 HydrophobicContact CB-CG 4.07Å
80N97.4Very high94.3Very high5 Ų514 Ų143%0.0277%0.066CC..EExtended strand (participates in β ladder)trans-123.4114.4171.1-70.8-107.5000107.9F74 R75 R76 G78 F132 W191 E193F74-N80 WeakPolarHBondContact CB-ND2 3.41Å; F74-N80 WeakPolarHBondContact CB-OD1 3.48Å; F74-N80 HydrophobicContact CD1-CB 3.57Å; F74-N80 HydrophobicContact CE1-CB 3.99Å; F74-N80 HydrophobicContact CG-CB 4.18Å; R75-N80 PolarHBondContact N-OD1 2.85Å; R76-N80 WeakPolarHBondContact CB-OD1 3.43Å; R76-N80 PolarHBondContact N-OD1 2.68Å; R76-N80 PolarHBondContact O-ND2 2.68Å; G78-N80 PolarHBondContact O-ND2 2.83Å; G78-N80 VanDerWaalsContact O-ND2 3.11Å; N80-F132 HydrophobicContact CB-CD1 4.28Å; N80-F132 HydrophobicContact CB-CE1 3.99Å; N80-W191 PolarHBondContact N-O 2.68Å; N80-E193 PolarHBondContact O-N 3.02Å
81V96.3Very high92.7Very high6 Ų615.7 Ų15.74%0.0368%0.077CC..EExtended strand (participates in β ladder)trans-94.3117.8-169.7-173.50000111V43 F132 V133 T136 E193 N195V43-V81 HydrophobicContact CG1-CB 4.31Å; V43-V81 HydrophobicContact CG1-CG1 3.7Å; V43-V81 HydrophobicContact CG1-CG2 3.6Å; V81-F132 CarbonylContact O-C 3.59Å; V81-F132 VanDerWaalsContact O-CA 3.28Å; V81-F132 WeakPolarHBondContact O-CA 3.1Å; V81-F132 WeakPolarHBondContact O-CD1 3.3Å; V81-V133 HydrophobicContact CB-CG2 4Å; V81-V133 HydrophobicContact CG1-CG2 3.89Å; V81-V133 PolarHBondContact O-N 2.86Å; V81-T136 HydrophobicContact CB-CG2 3.88Å; V81-T136 HydrophobicContact CG1-CG2 3.85Å; V81-T136 HydrophobicContact CG2-CG2 3.57Å; V81-E193 CarbonylContact C-O 3.52Å; V81-E193 VanDerWaalsContact CA-O 3.3Å; V81-E193 WeakPolarHBondContact CA-O 3.05Å; V81-E193 HydrophobicContact CG2-CB 4.34Å; V81-N195 HydrophobicContact CG1-CB 3.98Å
82Y97Very high90.9Very high52 Ų5220 Ų2020%0.20410%0.097CC..EExtended strand (participates in β ladder)trans-103.5121.5173.1-167.1-96.1000110.2K84 K130 F132 E193 I194 N195Y82-K84 HydrophobicContact CD1-CG 4.43Å; Y82-K84 HydrophobicContact CE1-CG 4.19Å; Y82-K130 HydrophobicContact CE1-CB 3.93Å; Y82-K130 HydrophobicContact CE1-CD 4.49Å; Y82-K130 WeakPolarHBondContact OH-CB 3.27Å; Y82-K130 VanDerWaalsContact OH-CD 3.25Å; Y82-K130 WeakPolarHBondContact OH-CD 3.17Å; Y82-K130 VanDerWaalsContact OH-CG 3.23Å; Y82-K130 WeakPolarHBondContact OH-CG 3.49Å; Y82-F132 HydrophobicContact CD2-CD1 4.13Å; Y82-F132 AromaticContact CD2-CD2 3.84Å; Y82-F132 HydrophobicContact CD2-CD2 3.84Å; Y82-F132 HydrophobicContact CD2-CE1 4.09Å; Y82-F132 AromaticContact CD2-CE2 3.8Å; Y82-F132 HydrophobicContact CD2-CE2 3.8Å; Y82-F132 HydrophobicContact CD2-CG 4Å; Y82-F132 AromaticContact CD2-CZ 3.93Å; Y82-F132 HydrophobicContact CD2-CZ 3.93Å; Y82-F132 HydrophobicContact CE2-CD2 4.29Å; Y82-F132 HydrophobicContact CE2-CE2 4.24Å; Y82-E193 PolarHBondContact N-O 3.25Å; Y82-I194 VanDerWaalsContact O-CA 3.26Å; Y82-I194 WeakPolarHBondContact O-CA 3.36Å; Y82-N195 PolarHBondContact O-N 2.92Å
83M97.2Very high88.9Confident0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-110.9128.8-174.7172.5176.6-57.900109.8V85 K130 G131 V133 F140 P141 N195 Y197M83-V85 HydrophobicContact CG-CG2 3.89Å; M83-V85 HydrophobicContact SD-CG2 4.08Å; M83-K130 VanDerWaalsContact O-CA 3.23Å; M83-K130 WeakPolarHBondContact O-CA 3.44Å; M83-G131 PolarHBondContact N-O 3.15Å; M83-G131 PolarHBondContact O-N 2.81Å; M83-G131 VanDerWaalsContact O-N 3.13Å; M83-V133 HydrophobicContact CB-CG1 4.16Å; M83-V133 HydrophobicContact CB-CG2 4.29Å; M83-V133 HydrophobicContact CE-CG1 4.36Å; M83-V133 HydrophobicContact CE-CG2 4.02Å; M83-V133 HydrophobicContact SD-CG1 4.32Å; M83-F140 HydrophobicContact SD-CD1 4.48Å; M83-P141 HydrophobicContact CB-CG 4.03Å; M83-P141 HydrophobicContact CG-CG 3.86Å; M83-P141 WeakPolarHBondContact O-CG 3.48Å; M83-P141 HydrophobicContact SD-CG 4.2Å; M83-N195 VanDerWaalsContact CG-O 3.24Å; M83-N195 WeakPolarHBondContact CG-O 3.43Å; M83-Y197 HydrophobicContact CE-CD2 4.25Å; M83-Y197 HydrophobicContact CE-CE2 3.91Å; M83-Y197 HydrophobicContact CG-CD2 4.33Å; M83-Y197 HydrophobicContact SD-CD2 4.26Å
84K97.3Very high86.7Confident33 Ų3326 Ų2614%0.14313%0.127CC..EExtended strand (participates in β ladder)trans-105.5135.6165-55178.7-168.5166.40109.5Y82 F128 F129 K130 N196 Y197 D241 Y245Y82-K84 HydrophobicContact CD1-CG 4.43Å; Y82-K84 HydrophobicContact CE1-CG 4.19Å; K84-F128 HydrophobicContact CB-CD1 3.73Å; K84-F128 HydrophobicContact CB-CE1 4.24Å; K84-F128 HydrophobicContact CB-CG 4.35Å; K84-F128 HydrophobicContact CD-CD1 4.5Å; K84-F129 CarbonylContact C-O 3.57Å; K84-F129 WeakPolarHBondContact CA-O 3.38Å; K84-K130 HydrophobicContact CG-CB 4.27Å; K84-N196 HydrophobicContact CB-CB 4.21Å; K84-N196 PolarHBondContact N-OD1 3.41Å; K84-N196 CarbonylContact O-C 3.6Å; K84-N196 VanDerWaalsContact O-CA 3.27Å; K84-N196 WeakPolarHBondContact O-CA 3.5Å; K84-Y197 PolarHBondContact O-N 3.09Å; K84-D241 IonicContact NZ-OD1 3.71Å; K84-D241 PolarHBondContact NZ-OD1 3.16Å; K84-D241 IonicContact NZ-OD2 2.68Å; K84-Y245 VanDerWaalsContact CE-OH 3.24Å; K84-Y245 WeakPolarHBondContact CE-OH 3.38Å; K84-Y245 PolarHBondContact NZ-OH 3.42Å
85V98.2Very high84.4Confident0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-124.5123176.2-172.70000108.9M83 F129 F140 P141 L144 Y197 L199M83-V85 HydrophobicContact CG-CG2 3.89Å; M83-V85 HydrophobicContact SD-CG2 4.08Å; V85-F129 PolarHBondContact N-O 3.25Å; V85-F129 PolarHBondContact O-N 2.93Å; V85-F140 HydrophobicContact CG1-CD1 4.44Å; V85-F140 HydrophobicContact CG1-CE1 4.08Å; V85-F140 HydrophobicContact CG2-CD1 3.8Å; V85-F140 HydrophobicContact CG2-CE1 4.13Å; V85-P141 HydrophobicContact CG2-CG 4.14Å; V85-L144 HydrophobicContact CB-CD2 3.88Å; V85-L144 HydrophobicContact CG1-CD2 3.78Å; V85-L144 HydrophobicContact CG2-CD2 4.17Å; V85-Y197 WeakPolarHBondContact CA-O 3.41Å; V85-L199 HydrophobicContact CG1-CB 4.2Å
86L97.5Very high82.4Confident0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-101.2126.3172.3-16367.6000109.3V88 V119 S127 F128 Y197 V198 L199 L233 L237L86-V88 HydrophobicContact CB-CG1 4.49Å; L86-V88 HydrophobicContact CD2-CG1 3.92Å; L86-V88 HydrophobicContact CG-CG1 3.94Å; L86-V119 HydrophobicContact CD1-CG1 3.54Å; L86-V119 HydrophobicContact CD2-CG1 4.18Å; L86-V119 HydrophobicContact CD2-CG2 4.18Å; L86-V119 HydrophobicContact CG-CG1 3.88Å; L86-S127 WeakPolarHBondContact CD1-OG 3.44Å; L86-F128 HydrophobicContact CB-CD1 3.95Å; L86-F128 HydrophobicContact CB-CE1 3.62Å; L86-F128 HydrophobicContact CB-CZ 4.32Å; L86-F128 HydrophobicContact CD1-CD1 3.94Å; L86-F128 HydrophobicContact CD1-CD2 4.23Å; L86-F128 HydrophobicContact CD1-CE1 3.87Å; L86-F128 HydrophobicContact CD1-CE2 4.13Å; L86-F128 HydrophobicContact CD1-CG 4.14Å; L86-F128 HydrophobicContact CD1-CZ 3.96Å; L86-F128 HydrophobicContact CD2-CE1 4.42Å; L86-F128 HydrophobicContact CD2-CZ 4.32Å; L86-F128 HydrophobicContact CG-CE1 4.19Å; L86-F128 HydrophobicContact CG-CZ 4.45Å; L86-Y197 PolarHBondContact N-O 3.08Å; L86-V198 HydrophobicContact CB-CG2 4.29Å; L86-V198 CarbonylContact O-C 3.58Å; L86-V198 WeakPolarHBondContact O-CA 3.33Å; L86-L199 PolarHBondContact O-N 3.39Å; L86-L233 HydrophobicContact CD2-CD2 4.17Å; L86-L237 HydrophobicContact CD2-CD1 3.76Å; L86-L237 HydrophobicContact CD2-CD2 4.36Å
87I96.1Very high80.1Confident0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-94.3124.3175.4-59.9-177.9000108.5L120 F129 L144 F148 L199 C201 F211 W221I87-L120 HydrophobicContact CB-CB 4.07Å; I87-L120 HydrophobicContact CB-CD2 4.3Å; I87-L120 HydrophobicContact CD1-CD2 4.3Å; I87-L120 HydrophobicContact CG2-CB 4.22Å; I87-L120 HydrophobicContact CG2-CD2 4.2Å; I87-L120 PolarHBondContact O-N 2.71Å; I87-F129 HydrophobicContact CD1-CD2 3.98Å; I87-F129 HydrophobicContact CD1-CE2 3.53Å; I87-F129 HydrophobicContact CD1-CZ 4.26Å; I87-F129 HydrophobicContact CG1-CD2 4.17Å; I87-F129 HydrophobicContact CG1-CE2 4Å; I87-L144 HydrophobicContact CD1-CD1 3.92Å; I87-F148 HydrophobicContact CD1-CE1 4.4Å; I87-F148 HydrophobicContact CD1-CZ 4.17Å; I87-L199 HydrophobicContact CG1-CD2 4.41Å; I87-C201 HydrophobicContact CG2-CB 4.48Å; I87-C201 WeakPolarHBondContact CG2-SG 3.27Å; I87-F211 HydrophobicContact CD1-CD1 4.45Å; I87-F211 HydrophobicContact CD1-CE1 3.47Å; I87-F211 VanDerWaalsContact CD1-CE1 3.47Å; I87-F211 HydrophobicContact CD1-CZ 3.63Å; I87-W221 HydrophobicContact CG2-CH2 4.03Å
88V93.4Very high77.5Confident0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-129.6159.6-175.7-48.80000110.9L86 V117 Y118 V119 V198 L199 R200 C201 L233L86-V88 HydrophobicContact CB-CG1 4.49Å; L86-V88 HydrophobicContact CD2-CG1 3.92Å; L86-V88 HydrophobicContact CG-CG1 3.94Å; V88-V117 HydrophobicContact CB-CG1 4.24Å; V88-Y118 CarbonylContact C-O 3.52Å; V88-Y118 WeakPolarHBondContact CA-O 3.48Å; V88-Y118 WeakPolarHBondContact CB-O 3.42Å; V88-V119 HydrophobicContact CG1-CG2 4.05Å; V88-V198 HydrophobicContact CB-CG1 4.21Å; V88-V198 HydrophobicContact CG1-CG1 3.76Å; V88-V198 HydrophobicContact CG2-CG1 3.36Å; V88-L199 PolarHBondContact N-O 3.44Å; V88-R200 HydrophobicContact CG2-CG 3.94Å; V88-C201 PolarHBondContact O-N 3.28Å; V88-L233 HydrophobicContact CG1-CD2 3.74Å
89R87.5Confident75.2Confident38 Ų3846.6 Ų46.614%0.14323%0.231CC..EExtended strand (participates in β ladder)trans-137146.2161.767-178.7-177.31680.6108.5Y118 W221R89-Y118 HydrophobicContact CG-CG 4.49Å; R89-Y118 PolarHBondContact N-O 2.83Å; R89-Y118 PolarHBondContact O-N 3.27Å; R89-W221 HydrophobicContact CB-CH2 3.87Å; R89-W221 HydrophobicContact CB-CZ2 4.32Å; R89-W221 HydrophobicContact CB-CZ3 4.12Å; R89-W221 HydrophobicContact CG-CD2 4.09Å; R89-W221 HydrophobicContact CG-CE3 3.81Å; R89-W221 HydrophobicContact CG-CH2 3.77Å; R89-W221 HydrophobicContact CG-CZ2 4.06Å; R89-W221 HydrophobicContact CG-CZ3 3.66Å
90G74.8Confident72.8Confident7 Ų748.1 Ų48.17%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-157.8144.9174.100000110.1
91C62.2Low70.1Confident35 Ų3551.7 Ų51.724%0.23626%0.258CS..  trans-97.2111.9172.3-65.80000108.9C97C91-C97 HydrophobicContact CB-CB 3.9Å; C91-C97 WeakPolarHBondContact CB-SG 3.36Å; C91-C97 WeakPolarHBondContact SG-CA 3.42Å; C91-C97 WeakPolarHBondContact SG-CB 3.11Å; C91-C97 CovalentContact SG-SG 2.03Å; C91-C97 PolarHBondContact SG-SG 2.94Å
92E55.3Low67.6Low94 Ų9458 Ų5844%0.43929%0.29SS..SBendtrans-82.6-20.6170.7-71.4163.1165.400111.3R200E92-R200 VanDerWaalsContact CD-NH1 3.27Å; E92-R200 IonicContact OE1-CZ 3.12Å; E92-R200 IonicContact OE1-NH1 2.76Å; E92-R200 PolarHBondContact OE1-NH1 3.2Å; E92-R200 IonicContact OE1-NH2 2.65Å; E92-R200 IonicContact OE2-CZ 3.47Å; E92-R200 IonicContact OE2-NH1 3.14Å; E92-R200 PolarHBondContact OE2-NH1 2.98Å; E92-R200 IonicContact OE2-NH2 2.97Å; E92-R200 PolarHBondContact OE2-NH2 2.98Å
93T48.4Very low65.3Low85 Ų8556.5 Ų56.552%0.52129%0.286SS..SBendtrans-146.6152.5176.6620000111.1I95 A96 C97T93-I95 VanDerWaalsContact C-N 3.26Å; T93-I95 PolarHBondContact O-N 3.39Å; T93-A96 PolarHBondContact O-N 3.49Å; T93-A96 VanDerWaalsContact O-N 3.15Å; T93-A96 PolarHBondContact OG1-N 2.89Å; T93-C97 PolarHBondContact O-N 3.23Å
94E45Very low62.8Low120 Ų12060.7 Ų60.756%0.56131%0.313SS*.Hα-helixtrans-54.8-41176.8-73.1-175161.400112.2A96 C97 F98E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 3.44Å; E94-C97 WeakPolarHBondContact O-CA 3.18Å; E94-C97 WeakPolarHBondContact O-CB 3.22Å; E94-C97 PolarHBondContact O-N 3.14Å; E94-F98 PolarHBondContact O-N 2.81Å; E94-F98 VanDerWaalsContact O-N 3.08Å
95I48.7Very low60.4Low124 Ų12465.5 Ų65.564%0.63634%0.34SS*.Hα-helixtrans-62.2-38.4-179.8-59.9172.4000111.6T93 C97 F98 K99T93-I95 VanDerWaalsContact C-N 3.26Å; T93-I95 PolarHBondContact O-N 3.39Å; I95-C97 VanDerWaalsContact C-N 3.27Å; I95-C97 PolarHBondContact O-N 2.88Å; I95-F98 PolarHBondContact O-N 3.49Å; I95-K99 PolarHBondContact O-N 3.26Å
96A50.4Low57.8Low24 Ų2467.3 Ų67.320%0.19835%0.352CS..Hα-helixtrans-67.9-30.8176.600000111.8T93 E94 N100T93-A96 PolarHBondContact O-N 3.49Å; T93-A96 VanDerWaalsContact O-N 3.15Å; T93-A96 PolarHBondContact OG1-N 2.89Å; E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 3.44Å; A96-N100 PolarHBondContact O-ND2 3.11Å
97C47.7Very low55Low32 Ų3269.6 Ų69.622%0.21637%0.37CS..Hα-helixtrans-68.5-43.1176-116.90000111.7C91 T93 E94 I95 K99 N100C91-C97 HydrophobicContact CB-CB 3.9Å; C91-C97 WeakPolarHBondContact CB-SG 3.36Å; C91-C97 WeakPolarHBondContact SG-CA 3.42Å; C91-C97 WeakPolarHBondContact SG-CB 3.11Å; C91-C97 CovalentContact SG-SG 2.03Å; C91-C97 PolarHBondContact SG-SG 2.94Å; T93-C97 PolarHBondContact O-N 3.23Å; E94-C97 WeakPolarHBondContact O-CA 3.18Å; E94-C97 WeakPolarHBondContact O-CB 3.22Å; E94-C97 PolarHBondContact O-N 3.14Å; I95-C97 VanDerWaalsContact C-N 3.27Å; I95-C97 PolarHBondContact O-N 2.88Å; C97-K99 PolarHBondContact O-N 2.81Å; C97-N100 PolarHBondContact O-N 2.92Å
98F43.8Very low52.4Low151 Ų15171.2 Ų71.266%0.66238%0.381SS*.Hα-helixtrans-65.8-38.7-178.8-93.3-84000114.1E94 I95 N100 L101E94-F98 PolarHBondContact O-N 2.81Å; E94-F98 VanDerWaalsContact O-N 3.08Å; I95-F98 PolarHBondContact O-N 3.49Å; F98-N100 PolarHBondContact O-N 2.83Å; F98-L101 HydrophobicContact CD1-CD1 4.1Å; F98-L101 HydrophobicContact CG-CD1 4.5Å; F98-L101 WeakPolarHBondContact O-CB 3.45Å; F98-L101 WeakPolarHBondContact O-CD1 3.27Å; F98-L101 PolarHBondContact O-N 2.8Å; F98-L101 VanDerWaalsContact O-N 3.16Å
99K47.5Very low49.6Very low168 Ų16879.6 Ų79.673%0.7342%0.42SS*.Hα-helixtrans-67.4-21.8178.1-70.4-172.9177.8-175.80113.3I95 C97 L101I95-K99 PolarHBondContact O-N 3.26Å; C97-K99 PolarHBondContact O-N 2.81Å; K99-L101 VanDerWaalsContact C-N 3.29Å; K99-L101 PolarHBondContact O-N 3.44Å
100N47Very low47.5Very low36 Ų3682 Ų8219%0.19343%0.432CS..G310 helixtrans-82.41.1176.3-74.3-50.8000113.6A96 C97 F98 L102A96-N100 PolarHBondContact O-ND2 3.11Å; C97-N100 PolarHBondContact O-N 2.92Å; F98-N100 PolarHBondContact O-N 2.83Å; N100-L102 PolarHBondContact O-N 2.91Å; N100-L102 VanDerWaalsContact O-N 3.13Å
101L41.6Very low45.8Very low80 Ų8092.2 Ų92.242%0.41947%0.468SS..G310 helixtrans-64.5-11.4176.9-10390.4000114.5F98 K99 I103F98-L101 HydrophobicContact CD1-CD1 4.1Å; F98-L101 HydrophobicContact CG-CD1 4.5Å; F98-L101 WeakPolarHBondContact O-CB 3.45Å; F98-L101 WeakPolarHBondContact O-CD1 3.27Å; F98-L101 PolarHBondContact O-N 2.8Å; F98-L101 VanDerWaalsContact O-N 3.16Å; K99-L101 VanDerWaalsContact C-N 3.29Å; K99-L101 PolarHBondContact O-N 3.44Å; L101-I103 PolarHBondContact O-N 2.93Å
102L42.3Very low44.9Very low138 Ų138100.9 Ų100.972%0.72350%0.496SS*.G310 helixtrans-75.313.9179-65.8174.3000114N100 P104N100-L102 PolarHBondContact O-N 2.91Å; N100-L102 VanDerWaalsContact O-N 3.13Å; L102-P104 WeakPolarHBondContact O-CD 3.11Å
103I48.9Very low44.6Very low22 Ų22102.2 Ų102.211%0.11350%0.502CS..  trans-97.798.2163.2-34.7-174.3000107.2L101 D105 V106 A107 I209 L212L101-I103 PolarHBondContact O-N 2.93Å; I103-D105 VanDerWaalsContact C-N 3.31Å; I103-D105 PolarHBondContact O-N 2.8Å; I103-V106 HydrophobicContact CB-CB 4.11Å; I103-V106 HydrophobicContact CB-CG2 3.87Å; I103-V106 HydrophobicContact CG2-CB 4.25Å; I103-V106 HydrophobicContact CG2-CG2 3.45Å; I103-V106 VanDerWaalsContact CG2-CG2 3.45Å; I103-V106 CarbonylContact O-C 3.49Å; I103-V106 WeakPolarHBondContact O-CA 3.33Å; I103-V106 PolarHBondContact O-N 2.96Å; I103-A107 PolarHBondContact O-N 3.12Å; I103-A107 VanDerWaalsContact O-N 3.11Å; I103-I209 HydrophobicContact CD1-CG1 4.27Å; I103-I209 HydrophobicContact CG1-CD1 4.38Å; I103-I209 HydrophobicContact CG1-CG1 4.04Å; I103-L212 HydrophobicContact CD1-CD1 4.27Å
104P46.2Very low45Very low88 Ų88102.6 Ų102.657%0.57150%0.501SS*.G310 helixtrans-63.9-33.3-169.5-21.834.1000113.5L102 V106 A107L102-P104 WeakPolarHBondContact O-CD 3.11Å; P104-V106 PolarHBondContact O-N 3.16Å; P104-A107 PolarHBondContact O-N 3.07Å
105D46.8Very low46.2Very low133 Ų133100.6 Ų100.671%0.71149%0.494SS*.G310 helixtrans-79.30.2174.2-80.1-20.2000113.5I103I103-D105 VanDerWaalsContact C-N 3.31Å; I103-D105 PolarHBondContact O-N 2.8Å
106V42.5Very low47.8Very low39 Ų3996.3 Ų96.324%0.23647%0.471CS..G310 helixtrans-136.542.8174.8-137.10000108.1I103 P104 C108I103-V106 HydrophobicContact CB-CB 4.11Å; I103-V106 HydrophobicContact CB-CG2 3.87Å; I103-V106 HydrophobicContact CG2-CB 4.25Å; I103-V106 HydrophobicContact CG2-CG2 3.45Å; I103-V106 VanDerWaalsContact CG2-CG2 3.45Å; I103-V106 CarbonylContact O-C 3.49Å; I103-V106 WeakPolarHBondContact O-CA 3.33Å; I103-V106 PolarHBondContact O-N 2.96Å; P104-V106 PolarHBondContact O-N 3.16Å; V106-C108 PolarHBondContact O-N 2.79Å
107A39.1Very low49.6Very low48 Ų4895.2 Ų95.240%0.39746%0.462SS..  trans-48.896.5160.200000105.7I103 P104 H109I103-A107 PolarHBondContact O-N 3.12Å; I103-A107 VanDerWaalsContact O-N 3.11Å; P104-A107 PolarHBondContact O-N 3.07Å; A107-H109 PolarHBondContact O-N 2.88Å; A107-H109 PolarHBondContact O-ND1 3.23Å
108C40.7Very low51.6Low33 Ų3395 Ų9522%0.22346%0.457CS..  trans-62.785.7180-88.40000106.1V106 F110V106-C108 PolarHBondContact O-N 2.79Å; C108-F110 HydrophobicContact CB-CB 4.46Å; C108-F110 HydrophobicContact CB-CD2 4.09Å; C108-F110 PolarHBondContact O-N 2.92Å
109H35.9Very low53.9Low177 Ų17787.8 Ų87.882%0.81943%0.425SS*.  trans-71.844.3160.8-80.545.8000108.2A107 R111A107-H109 PolarHBondContact O-N 2.88Å; A107-H109 PolarHBondContact O-ND1 3.23Å; H109-R111 VanDerWaalsContact C-N 3.27Å; H109-R111 PolarHBondContact O-N 3.36Å
110F42.2Very low56.1Low88 Ų8879.9 Ų79.939%0.38639%0.391SS..  trans-80.886.9177.3-95.4-77.4000108.1C108 R112 E113 Y118C108-F110 HydrophobicContact CB-CB 4.46Å; C108-F110 HydrophobicContact CB-CD2 4.09Å; C108-F110 PolarHBondContact O-N 2.92Å; F110-R112 VanDerWaalsContact C-N 3.31Å; F110-R112 PolarHBondContact O-N 3.5Å; F110-E113 HydrophobicContact CD1-CB 4.18Å; F110-E113 HydrophobicContact CE1-CB 4.41Å; F110-Y118 HydrophobicContact CE1-CE2 4.38Å; F110-Y118 AromaticContact CE1-CZ 3.89Å; F110-Y118 WeakPolarHBondContact CE1-OH 3.34Å; F110-Y118 HydrophobicContact CZ-CE1 4.1Å; F110-Y118 HydrophobicContact CZ-CE2 4.04Å; F110-Y118 AromaticContact CZ-CZ 3.45Å; F110-Y118 VanDerWaalsContact CZ-CZ 3.45Å; F110-Y118 WeakPolarHBondContact CZ-OH 3.47Å
111R39.2Very low58.4Low222 Ų22281.4 Ų81.484%0.83839%0.394SS*.  trans-38.698.4141.3-176.3-170.6-76.4-149.1-1.3108.6H109 E113H109-R111 VanDerWaalsContact C-N 3.27Å; H109-R111 PolarHBondContact O-N 3.36Å; R111-E113 PolarHBondContact O-N 3.07Å
112R44.4Very low60.9Low216 Ų21682.5 Ų82.582%0.81540%0.396SS*.SBendtrans37.719.7149.7-83.3-175.5174.1174.4-1.4120.8F110 N114F110-R112 VanDerWaalsContact C-N 3.31Å; F110-R112 PolarHBondContact O-N 3.5Å; R112-N114 PolarHBondContact O-N 3Å
113E47.7Very low63.3Low123 Ų12380 Ų8058%0.57538%0.379SS*.  trans-79.368.2168.7-71.8-179.3-168.500108.3F110 R111 N115F110-E113 HydrophobicContact CD1-CB 4.18Å; F110-E113 HydrophobicContact CE1-CB 4.41Å; R111-E113 PolarHBondContact O-N 3.07Å; E113-N115 PolarHBondContact O-N 2.95Å
114N57.1Low65.3Low93 Ų9387.2 Ų87.250%0.49742%0.418SS..  trans-55.3133.1173.5-70.7-19.3000108.1R112R112-N114 PolarHBondContact O-N 3Å
115N70.1Confident67.5Low78 Ų7884.7 Ų84.742%0.41741%0.408SS..SBendtrans67.863172.5-39.2-41.2000114.2E113 H228E113-N115 PolarHBondContact O-N 2.95Å; N115-H228 CarbonylContact C-O 3.53Å; N115-H228 HydrophobicContact CB-CB 3.86Å; N115-H228 WeakPolarHBondContact O-CA 3.23Å; N115-H228 VanDerWaalsContact O-CB 3.27Å; N115-H228 WeakPolarHBondContact O-CB 3.35Å; N115-H228 PolarHBondContact O-ND1 2.9Å
116Q82.8Confident69.6Low33 Ų3382.1 Ų82.115%0.15440%0.397CS..  trans-127.5131.5166.6179.960.266.800110.1Y118 P223 W224 M227Q116-Y118 HydrophobicContact CB-CE2 3.94Å; Q116-Y118 HydrophobicContact CG-CD2 4.22Å; Q116-Y118 HydrophobicContact CG-CE2 3.61Å; Q116-P223 HydrophobicContact CG-CB 3.89Å; Q116-W224 PolarHBondContact NE2-O 3Å; Q116-M227 PolarHBondContact NE2-O 3.05Å
117V87.7Confident72.1Confident1 Ų180.6 Ų80.61%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-89.1130.7171.1-177.50000109.5V88 W224 M227 T229 V230 L233V88-V117 HydrophobicContact CB-CG1 4.24Å; V117-W224 PolarHBondContact O-N 3.05Å; V117-M227 HydrophobicContact CB-CB 4.3Å; V117-M227 HydrophobicContact CG2-CB 4.5Å; V117-M227 PolarHBondContact N-O 3.38Å; V117-T229 VanDerWaalsContact CG2-C 3.47Å; V117-V230 HydrophobicContact CG2-CG2 4.41Å; V117-L233 HydrophobicContact CG1-CD2 3.78Å
118Y90.1Very high74.8Confident27 Ų2780.5 Ų80.511%0.10638%0.378CS..EExtended strand (participates in β ladder)trans-107140.5173-70.3-97.1000109.7V88 R89 F110 Q116 W221 R222 P223V88-Y118 CarbonylContact C-O 3.52Å; V88-Y118 WeakPolarHBondContact CA-O 3.48Å; V88-Y118 WeakPolarHBondContact CB-O 3.42Å; R89-Y118 HydrophobicContact CG-CG 4.49Å; R89-Y118 PolarHBondContact N-O 2.83Å; R89-Y118 PolarHBondContact O-N 3.27Å; F110-Y118 HydrophobicContact CE1-CE2 4.38Å; F110-Y118 AromaticContact CE1-CZ 3.89Å; F110-Y118 WeakPolarHBondContact CE1-OH 3.34Å; F110-Y118 HydrophobicContact CZ-CE1 4.1Å; F110-Y118 HydrophobicContact CZ-CE2 4.04Å; F110-Y118 AromaticContact CZ-CZ 3.45Å; F110-Y118 VanDerWaalsContact CZ-CZ 3.45Å; F110-Y118 WeakPolarHBondContact CZ-OH 3.47Å; Q116-Y118 HydrophobicContact CB-CE2 3.94Å; Q116-Y118 HydrophobicContact CG-CD2 4.22Å; Q116-Y118 HydrophobicContact CG-CE2 3.61Å; Y118-W221 HydrophobicContact CD1-CB 4.29Å; Y118-W221 WeakPolarHBondContact O-CZ3 3.38Å; Y118-R222 CarbonylContact C-O 3.53Å; Y118-R222 WeakPolarHBondContact CA-O 3.16Å; Y118-P223 HydrophobicContact CD1-CB 4.26Å; Y118-P223 HydrophobicContact CE1-CB 3.84Å; Y118-P223 HydrophobicContact CE1-CG 4.33Å
119V92.6Very high77.5Confident0 Ų079.5 Ų79.50%037%0.37CS..EExtended strand (participates in β ladder)trans-113.9141.1176.4175.90000108.8L86 V88 W121 R222 W224 L233L86-V119 HydrophobicContact CD1-CG1 3.54Å; L86-V119 HydrophobicContact CD2-CG1 4.18Å; L86-V119 HydrophobicContact CD2-CG2 4.18Å; L86-V119 HydrophobicContact CG-CG1 3.88Å; V88-V119 HydrophobicContact CG1-CG2 4.05Å; V119-W121 VanDerWaalsContact O-CD1 3.26Å; V119-R222 PolarHBondContact N-O 3.46Å; V119-R222 PolarHBondContact O-N 2.88Å; V119-W224 HydrophobicContact CB-CE3 4.19Å; V119-W224 HydrophobicContact CG1-CE3 4.5Å; V119-W224 HydrophobicContact CG2-CB 4.25Å; V119-W224 HydrophobicContact CG2-CD2 4.35Å; V119-W224 HydrophobicContact CG2-CE3 3.5Å; V119-W224 HydrophobicContact CG2-CZ3 4.21Å; V119-L233 HydrophobicContact CG2-CD2 4.45Å
120L93.2Very high80.4Confident2 Ų275.8 Ų75.81%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-81.5121.5174.7-170.369.9000109I87 S127 F211 L212 Y219 W221I87-L120 HydrophobicContact CB-CB 4.07Å; I87-L120 HydrophobicContact CB-CD2 4.3Å; I87-L120 HydrophobicContact CD1-CD2 4.3Å; I87-L120 HydrophobicContact CG2-CB 4.22Å; I87-L120 HydrophobicContact CG2-CD2 4.2Å; I87-L120 PolarHBondContact O-N 2.71Å; L120-S127 WeakPolarHBondContact O-CA 3.45Å; L120-S127 WeakPolarHBondContact O-CB 3.3Å; L120-F211 HydrophobicContact CD2-CE1 3.55Å; L120-F211 HydrophobicContact CD2-CZ 3.9Å; L120-L212 HydrophobicContact CD1-CD2 3.79Å; L120-L212 HydrophobicContact CD2-CD2 3.93Å; L120-Y219 HydrophobicContact CD2-CD1 4.12Å; L120-Y219 HydrophobicContact CD2-CG 4.44Å; L120-Y219 HydrophobicContact CG-CD1 3.98Å; L120-Y219 HydrophobicContact CG-CG 4.36Å; L120-W221 HydrophobicContact CB-CE3 4.1Å; L120-W221 HydrophobicContact CB-CH2 4.05Å; L120-W221 HydrophobicContact CB-CZ2 4.47Å; L120-W221 HydrophobicContact CB-CZ3 3.82Å; L120-W221 HydrophobicContact CD1-CD2 4.06Å; L120-W221 HydrophobicContact CD1-CE3 4.43Å; L120-W221 HydrophobicContact CD1-CG 4.46Å; L120-W221 HydrophobicContact CD1-CZ2 4.22Å
121W94.5Very high83Confident69 Ų6972.3 Ų72.326%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-111.4136.7179.4-74.276.3000110.3V119 Y219 E220 R222V119-W121 VanDerWaalsContact O-CD1 3.26Å; W121-Y219 CarbonylContact O-C 3.03Å; W121-Y219 WeakPolarHBondContact O-CA 3.45Å; W121-Y219 WeakPolarHBondContact O-CB 3.48Å; W121-Y219 WeakPolarHBondContact O-CD1 3.06Å; W121-E220 PolarHBondContact N-O 3.38Å; W121-E220 PolarHBondContact O-N 3.3Å; W121-R222 HydrophobicContact CB-CG 4.38Å; W121-R222 HydrophobicContact CG-CB 4.42Å; W121-R222 HydrophobicContact CG-CG 4.1Å
122K95.3Very high85.7Confident103 Ų10364.9 Ų64.945%0.44832%0.315SS..EExtended strand (participates in β ladder)trans-70.8130.1162.3-167.6176.1-178.4-179.90108.3N124 G125 T126 D218 Y219K122-N124 PolarHBondContact O-N 2.96Å; K122-G125 CarbonylContact O-C 3.51Å; K122-G125 WeakPolarHBondContact O-CA 3.37Å; K122-G125 PolarHBondContact O-N 3.18Å; K122-T126 WeakPolarHBondContact CB-O 3.24Å; K122-T126 PolarHBondContact N-O 2.58Å; K122-D218 CarbonylContact C-O 3.43Å; K122-D218 WeakPolarHBondContact CA-O 3.37Å; K122-Y219 HydrophobicContact CB-CD1 3.92Å; K122-Y219 HydrophobicContact CB-CE1 3.55Å; K122-Y219 HydrophobicContact CG-CD1 4.47Å; K122-Y219 HydrophobicContact CG-CE1 4Å; K122-Y219 HydrophobicContact CG-CE2 4.33Å
123K93.2Very high88.1Confident85 Ų8555.1 Ų55.137%0.3728%0.279SS..THydrogen-bonded Turntrans-57.3128.3174.2-67.1179.3-172.7169.80108.9G125 H217 D218 E220K123-G125 PolarHBondContact O-N 3.22Å; K123-H217 WeakPolarHBondContact CD-O 3.49Å; K123-H217 WeakPolarHBondContact CE-O 3.41Å; K123-H217 PolarHBondContact NZ-O 3.05Å; K123-D218 PolarHBondContact N-O 3.1Å; K123-E220 HydrophobicContact CG-CG 4.29Å
124N89.7Confident90.3Very high174 Ų17451 Ų5193%0.9326%0.261SS*.THydrogen-bonded Turntrans5628.8-174.4-53-28.3000114K122K122-N124 PolarHBondContact O-N 2.96Å
125G91.9Very high92Very high35 Ų3547.7 Ų47.736%0.36124%0.243SC..SBendtrans-143.7-158.8-178.100000112.9K122 K123K122-G125 CarbonylContact O-C 3.51Å; K122-G125 WeakPolarHBondContact O-CA 3.37Å; K122-G125 PolarHBondContact O-N 3.18Å; K123-G125 PolarHBondContact O-N 3.22Å
126T92.8Very high92.9Very high78 Ų7844.3 Ų44.348%0.47923%0.225SC..  trans-99.3161.6179.162.40000111.5K122K122-T126 WeakPolarHBondContact CB-O 3.24Å; K122-T126 PolarHBondContact N-O 2.58Å
127S93.9Very high93Very high7 Ų747 Ų475%0.04924%0.241CC..SBendtrans-83.9-20.317551.20000114.4L86 L120L86-S127 WeakPolarHBondContact CD1-OG 3.44Å; L120-S127 WeakPolarHBondContact O-CA 3.45Å; L120-S127 WeakPolarHBondContact O-CB 3.3Å
128F96.9Very high92.7Very high46 Ų4651.8 Ų51.820%0.20226%0.263CS..EExtended strand (participates in β ladder)trans-85.2131.5179.7-72.6-80.2000112.5K84 L86 L237K84-F128 HydrophobicContact CB-CD1 3.73Å; K84-F128 HydrophobicContact CB-CE1 4.24Å; K84-F128 HydrophobicContact CB-CG 4.35Å; K84-F128 HydrophobicContact CD-CD1 4.5Å; L86-F128 HydrophobicContact CB-CD1 3.95Å; L86-F128 HydrophobicContact CB-CE1 3.62Å; L86-F128 HydrophobicContact CB-CZ 4.32Å; L86-F128 HydrophobicContact CD1-CD1 3.94Å; L86-F128 HydrophobicContact CD1-CD2 4.23Å; L86-F128 HydrophobicContact CD1-CE1 3.87Å; L86-F128 HydrophobicContact CD1-CE2 4.13Å; L86-F128 HydrophobicContact CD1-CG 4.14Å; L86-F128 HydrophobicContact CD1-CZ 3.96Å; L86-F128 HydrophobicContact CD2-CE1 4.42Å; L86-F128 HydrophobicContact CD2-CZ 4.32Å; L86-F128 HydrophobicContact CG-CE1 4.19Å; L86-F128 HydrophobicContact CG-CZ 4.45Å; F128-L237 HydrophobicContact CZ-CD2 3.91Å
129F97.3Very high92.5Very high12 Ų1252 Ų525%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-85.6130.4158.2-60.4-93.3000108.5K84 V85 I87 L144 L147 F211 Y219K84-F129 CarbonylContact C-O 3.57Å; K84-F129 WeakPolarHBondContact CA-O 3.38Å; V85-F129 PolarHBondContact N-O 3.25Å; V85-F129 PolarHBondContact O-N 2.93Å; I87-F129 HydrophobicContact CD1-CD2 3.98Å; I87-F129 HydrophobicContact CD1-CE2 3.53Å; I87-F129 HydrophobicContact CD1-CZ 4.26Å; I87-F129 HydrophobicContact CG1-CD2 4.17Å; I87-F129 HydrophobicContact CG1-CE2 4Å; F129-L144 HydrophobicContact CB-CB 3.83Å; F129-L144 HydrophobicContact CB-CD1 4.44Å; F129-L144 HydrophobicContact CB-CD2 4.07Å; F129-L144 HydrophobicContact CB-CG 4.33Å; F129-L144 HydrophobicContact CD1-CB 4.06Å; F129-L144 HydrophobicContact CD1-CD1 3.85Å; F129-L144 HydrophobicContact CD1-CG 4.47Å; F129-L144 HydrophobicContact CD2-CD1 4.04Å; F129-L144 HydrophobicContact CD2-CD2 4.46Å; F129-L144 HydrophobicContact CE1-CD1 4.08Å; F129-L144 HydrophobicContact CE2-CD1 4.27Å; F129-L144 HydrophobicContact CG-CB 4.04Å; F129-L144 HydrophobicContact CG-CD1 3.83Å; F129-L144 HydrophobicContact CG-CD2 4.25Å; F129-L144 HydrophobicContact CG-CG 4.26Å; F129-L144 HydrophobicContact CZ-CD1 4.28Å; F129-L147 HydrophobicContact CD1-CD1 4.31Å; F129-L147 HydrophobicContact CE1-CD1 3.6Å; F129-L147 HydrophobicContact CZ-CD1 4.48Å; F129-F211 HydrophobicContact CE2-CZ 4.49Å; F129-F211 AromaticContact CZ-CZ 3.99Å; F129-F211 HydrophobicContact CZ-CZ 3.99Å; F129-Y219 AromaticContact CE1-CE1 3.91Å; F129-Y219 HydrophobicContact CE1-CE1 3.91Å; F129-Y219 AromaticContact CE1-CZ 3.82Å; F129-Y219 VanDerWaalsContact CE1-OH 3.31Å; F129-Y219 WeakPolarHBondContact CE1-OH 3.39Å; F129-Y219 HydrophobicContact CE2-CE1 4.23Å; F129-Y219 HydrophobicContact CZ-CD1 4.2Å; F129-Y219 AromaticContact CZ-CE1 3.38Å; F129-Y219 HydrophobicContact CZ-CE1 3.38Å; F129-Y219 AromaticContact CZ-CZ 3.72Å
130K96.7Very high92.7Very high100 Ų10052.2 Ų52.244%0.43527%0.271SS..EExtended strand (participates in β ladder)trans-146.2151-168.662.3-172-174.6-178.90112.9Y82 M83 K84Y82-K130 HydrophobicContact CE1-CB 3.93Å; Y82-K130 HydrophobicContact CE1-CD 4.49Å; Y82-K130 WeakPolarHBondContact OH-CB 3.27Å; Y82-K130 VanDerWaalsContact OH-CD 3.25Å; Y82-K130 WeakPolarHBondContact OH-CD 3.17Å; Y82-K130 VanDerWaalsContact OH-CG 3.23Å; Y82-K130 WeakPolarHBondContact OH-CG 3.49Å; M83-K130 VanDerWaalsContact O-CA 3.23Å; M83-K130 WeakPolarHBondContact O-CA 3.44Å; K84-K130 HydrophobicContact CG-CB 4.27Å
131G96.4Very high92.8Very high14 Ų1452.1 Ų52.114%0.14427%0.271CS..EExtended strand (participates in β ladder)trans169.7167.5177.900000112.6M83M83-G131 PolarHBondContact N-O 3.15Å; M83-G131 PolarHBondContact O-N 2.81Å; M83-G131 VanDerWaalsContact O-N 3.13Å
132F95.8Very high92.8Very high67 Ų6755.1 Ų55.129%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-73.1142.4170-74-80.1000110.3F74 N80 V81 Y82 W185 L192F74-F132 HydrophobicContact CD1-CE1 4.45Å; F74-F132 HydrophobicContact CD1-CZ 4.49Å; F74-F132 HydrophobicContact CE1-CE1 4.37Å; F74-F132 HydrophobicContact CE1-CZ 4.36Å; N80-F132 HydrophobicContact CB-CD1 4.28Å; N80-F132 HydrophobicContact CB-CE1 3.99Å; V81-F132 CarbonylContact O-C 3.59Å; V81-F132 VanDerWaalsContact O-CA 3.28Å; V81-F132 WeakPolarHBondContact O-CA 3.1Å; V81-F132 WeakPolarHBondContact O-CD1 3.3Å; Y82-F132 HydrophobicContact CD2-CD1 4.13Å; Y82-F132 AromaticContact CD2-CD2 3.84Å; Y82-F132 HydrophobicContact CD2-CD2 3.84Å; Y82-F132 HydrophobicContact CD2-CE1 4.09Å; Y82-F132 AromaticContact CD2-CE2 3.8Å; Y82-F132 HydrophobicContact CD2-CE2 3.8Å; Y82-F132 HydrophobicContact CD2-CG 4Å; Y82-F132 AromaticContact CD2-CZ 3.93Å; Y82-F132 HydrophobicContact CD2-CZ 3.93Å; Y82-F132 HydrophobicContact CE2-CD2 4.29Å; Y82-F132 HydrophobicContact CE2-CE2 4.24Å; F132-W185 HydrophobicContact CE2-CZ3 4.3Å; F132-W185 HydrophobicContact CZ-CZ3 4.19Å; F132-L192 HydrophobicContact CE1-CD1 3.76Å; F132-L192 HydrophobicContact CZ-CD1 4.17Å
133V95.5Very high92.7Very high10 Ų1053.8 Ų53.86%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-122.1138.1173.8-64.20000109.2V81 M83 A139V81-V133 HydrophobicContact CB-CG2 4Å; V81-V133 HydrophobicContact CG1-CG2 3.89Å; V81-V133 PolarHBondContact O-N 2.86Å; M83-V133 HydrophobicContact CB-CG1 4.16Å; M83-V133 HydrophobicContact CB-CG2 4.29Å; M83-V133 HydrophobicContact CE-CG1 4.36Å; M83-V133 HydrophobicContact CE-CG2 4.02Å; M83-V133 HydrophobicContact SD-CG1 4.32Å; V133-A139 HydrophobicContact CB-CB 4.42Å; V133-A139 HydrophobicContact CG1-CB 4.36Å
134D93.2Very high92.9Very high38 Ų3849.7 Ų49.720%0.20327%0.271CS..SBendtrans-88.1-22174.6-75.6-36.5000111.5D39 R76D39-D134 WeakPolarHBondContact CB-O 3.42Å; D39-D134 PolarHBondContact N-O 3.17Å; R76-D134 IonicContact CZ-OD1 2.79Å; R76-D134 IonicContact CZ-OD2 3.95Å; R76-D134 IonicContact NE-OD1 3.48Å; R76-D134 PolarHBondContact NE-OD1 2.82Å; R76-D134 IonicContact NE-OD2 3.39Å; R76-D134 VanDerWaalsContact NH2-CG 3.33Å; R76-D134 IonicContact NH2-OD1 3.62Å; R76-D134 PolarHBondContact NH2-OD1 2.96Å; R76-D134 VanDerWaalsContact NH2-OD1 3.13Å; R76-D134 IonicContact NH2-OD2 3.6Å; R76-D134 PolarHBondContact NH2-OD2 3.22Å
135D92.4Very high93.2Very high22 Ų2245.6 Ų45.612%0.11825%0.246CC..  trans-124.2109.6177.2-173.2-22.1000110K34 D137 E138 A139K34-D135 WeakPolarHBondContact CE-OD2 3.42Å; K34-D135 VanDerWaalsContact NZ-CG 3.34Å; K34-D135 IonicContact NZ-OD1 3Å; K34-D135 PolarHBondContact NZ-OD1 2.85Å; K34-D135 IonicContact NZ-OD2 2.88Å; K34-D135 PolarHBondContact NZ-OD2 2.95Å; D135-D137 VanDerWaalsContact C-N 3.31Å; D135-D137 PolarHBondContact O-N 3.27Å; D135-D137 PolarHBondContact OD1-N 2.9Å; D135-E138 PolarHBondContact OD1-N 2.92Å; D135-A139 HydrophobicContact CB-CB 4.48Å; D135-A139 WeakPolarHBondContact O-CB 3.5Å; D135-A139 PolarHBondContact O-N 3.22Å
136T88.3Confident93.4Very high8 Ų846.6 Ų46.65%0.04924%0.242CC..THydrogen-bonded Turntrans-75.2-22.9-173.462.20000113.5D39 V43 V81 R170D39-T136 PolarHBondContact OD2-OG1 2.99Å; D39-T136 VanDerWaalsContact OD2-OG1 3.06Å; V43-T136 HydrophobicContact CG1-CG2 4.19Å; V81-T136 HydrophobicContact CB-CG2 3.88Å; V81-T136 HydrophobicContact CG1-CG2 3.85Å; V81-T136 HydrophobicContact CG2-CG2 3.57Å; T136-R170 PolarHBondContact O-NH2 2.74Å
137D85.7Confident93.7Very high89 Ų8944.5 Ų44.548%0.47623%0.228SC..THydrogen-bonded Turntrans-87.4-31.4-172.5-68.1-20.8000111.6R41 D135R41-D137 IonicContact CZ-OD2 3.13Å; R41-D137 IonicContact NH1-OD2 3.43Å; R41-D137 IonicContact NH2-OD1 3.11Å; R41-D137 IonicContact NH2-OD2 2.63Å; R41-D137 PolarHBondContact NH2-OD2 3.28Å; D135-D137 VanDerWaalsContact C-N 3.31Å; D135-D137 PolarHBondContact O-N 3.27Å; D135-D137 PolarHBondContact OD1-N 2.9Å
138E82Confident93.9Very high102 Ų10244.1 Ų44.148%0.47723%0.226SC..THydrogen-bonded Turntrans-114.5-28.7-169.1-62.9-178.3-146.900114K34 D135K34-E138 IonicContact NZ-OE1 3.9Å; K34-E138 PolarHBondContact NZ-OE1 2.83Å; K34-E138 VanDerWaalsContact NZ-OE1 3.11Å; D135-E138 PolarHBondContact OD1-N 2.92Å
139A85.3Confident93.9Very high30 Ų3043.8 Ų43.825%0.24823%0.228CC..PPolyproline II helixtrans-93.7142.8-168.800000113.4V133 D135 R170V133-A139 HydrophobicContact CB-CB 4.42Å; V133-A139 HydrophobicContact CG1-CB 4.36Å; D135-A139 HydrophobicContact CB-CB 4.48Å; D135-A139 WeakPolarHBondContact O-CB 3.5Å; D135-A139 PolarHBondContact O-N 3.22Å; A139-R170 WeakPolarHBondContact O-CD 3.2Å; A139-R170 PolarHBondContact O-NE 3.48Å; A139-R170 VanDerWaalsContact O-NE 3.08Å
140F96.3Very high93.9Very high6 Ų649.8 Ų49.83%0.02625%0.25CC..PPolyproline II helixtrans-87.7163.7152.8-78.9-59.1000109.7M83 V85 E142 L144 F145 F148 I166 A169 R170 L199M83-F140 HydrophobicContact SD-CD1 4.48Å; V85-F140 HydrophobicContact CG1-CD1 4.44Å; V85-F140 HydrophobicContact CG1-CE1 4.08Å; V85-F140 HydrophobicContact CG2-CD1 3.8Å; V85-F140 HydrophobicContact CG2-CE1 4.13Å; F140-E142 PolarHBondContact O-N 3.13Å; F140-L144 HydrophobicContact CB-CD2 4.4Å; F140-L144 HydrophobicContact CD1-CD2 4.01Å; F140-L144 HydrophobicContact CE1-CD2 4.42Å; F140-L144 HydrophobicContact CG-CD2 4.17Å; F140-F145 HydrophobicContact CB-CB 4.43Å; F140-F148 HydrophobicContact CD2-CD2 4.13Å; F140-F148 AromaticContact CD2-CE2 3.94Å; F140-F148 HydrophobicContact CD2-CE2 3.94Å; F140-F148 HydrophobicContact CE2-CD2 4.3Å; F140-F148 AromaticContact CE2-CE2 3.83Å; F140-F148 HydrophobicContact CE2-CE2 3.83Å; F140-F148 HydrophobicContact CZ-CE2 4.37Å; F140-I166 HydrophobicContact CD2-CG2 3.93Å; F140-I166 HydrophobicContact CE2-CG2 4.29Å; F140-A169 HydrophobicContact CE2-CB 4.27Å; F140-A169 HydrophobicContact CZ-CB 4.45Å; F140-R170 HydrophobicContact CD2-CB 4.37Å; F140-R170 HydrophobicContact CE2-CB 3.82Å; F140-R170 HydrophobicContact CZ-CB 3.96Å; F140-L199 HydrophobicContact CZ-CD2 4.42Å
141P96.2Very high94Very high0 Ų045.1 Ų45.10%023%0.23CC..PPolyproline II helixtrans-56.6139.6169.6-21.634.4000110.5M83 V85 P143 L144 F145M83-P141 HydrophobicContact CB-CG 4.03Å; M83-P141 HydrophobicContact CG-CG 3.86Å; M83-P141 WeakPolarHBondContact O-CG 3.48Å; M83-P141 HydrophobicContact SD-CG 4.2Å; V85-P141 HydrophobicContact CG2-CG 4.14Å; P141-P143 VanDerWaalsContact C-CD 3.45Å; P141-P143 VanDerWaalsContact C-N 3.34Å; P141-L144 PolarHBondContact O-N 2.92Å; P141-F145 PolarHBondContact O-N 2.82Å
142E94.2Very high94.1Very high132 Ų13244.5 Ų44.562%0.61722%0.223SC*.Hα-helixtrans-48.4-45.2-175.4-175.8-178.7-173.500113.7F140 L144 F145 D146F140-E142 PolarHBondContact O-N 3.13Å; E142-L144 PolarHBondContact O-N 3.4Å; E142-L144 VanDerWaalsContact O-N 3.17Å; E142-F145 PolarHBondContact O-N 3.06Å; E142-D146 WeakPolarHBondContact O-CB 3.31Å; E142-D146 PolarHBondContact O-N 2.84Å
143P94.1Very high94.2Very high74 Ų7448.6 Ų48.648%0.48124%0.238SC..Hα-helixtrans-59-32.7177.9-25.835.9000114.4P141 L147P141-P143 VanDerWaalsContact C-CD 3.45Å; P141-P143 VanDerWaalsContact C-N 3.34Å; P143-L147 WeakPolarHBondContact O-CD1 3.3Å; P143-L147 VanDerWaalsContact O-CG 3.31Å; P143-L147 WeakPolarHBondContact O-CG 3.22Å
144L97.1Very high94.2Very high0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-81.4-42.9177.5-178.756.6000111.5V85 I87 F129 F140 P141 E142 D146 L147 F148 F211V85-L144 HydrophobicContact CB-CD2 3.88Å; V85-L144 HydrophobicContact CG1-CD2 3.78Å; V85-L144 HydrophobicContact CG2-CD2 4.17Å; I87-L144 HydrophobicContact CD1-CD1 3.92Å; F129-L144 HydrophobicContact CB-CB 3.83Å; F129-L144 HydrophobicContact CB-CD1 4.44Å; F129-L144 HydrophobicContact CB-CD2 4.07Å; F129-L144 HydrophobicContact CB-CG 4.33Å; F129-L144 HydrophobicContact CD1-CB 4.06Å; F129-L144 HydrophobicContact CD1-CD1 3.85Å; F129-L144 HydrophobicContact CD1-CG 4.47Å; F129-L144 HydrophobicContact CD2-CD1 4.04Å; F129-L144 HydrophobicContact CD2-CD2 4.46Å; F129-L144 HydrophobicContact CE1-CD1 4.08Å; F129-L144 HydrophobicContact CE2-CD1 4.27Å; F129-L144 HydrophobicContact CG-CB 4.04Å; F129-L144 HydrophobicContact CG-CD1 3.83Å; F129-L144 HydrophobicContact CG-CD2 4.25Å; F129-L144 HydrophobicContact CG-CG 4.26Å; F129-L144 HydrophobicContact CZ-CD1 4.28Å; F140-L144 HydrophobicContact CB-CD2 4.4Å; F140-L144 HydrophobicContact CD1-CD2 4.01Å; F140-L144 HydrophobicContact CE1-CD2 4.42Å; F140-L144 HydrophobicContact CG-CD2 4.17Å; P141-L144 PolarHBondContact O-N 2.92Å; E142-L144 PolarHBondContact O-N 3.4Å; E142-L144 VanDerWaalsContact O-N 3.17Å; L144-D146 VanDerWaalsContact C-N 3.27Å; L144-D146 PolarHBondContact O-N 3.02Å; L144-L147 PolarHBondContact O-N 3.14Å; L144-F148 HydrophobicContact CD1-CD1 4.32Å; L144-F148 HydrophobicContact CD1-CD2 4.21Å; L144-F148 HydrophobicContact CD1-CE1 3.85Å; L144-F148 HydrophobicContact CD1-CE2 3.74Å; L144-F148 HydrophobicContact CD1-CG 4.48Å; L144-F148 HydrophobicContact CD1-CZ 3.54Å; L144-F148 HydrophobicContact CD2-CE2 3.84Å; L144-F148 HydrophobicContact CD2-CZ 4.11Å; L144-F148 HydrophobicContact CG-CD2 3.99Å; L144-F148 HydrophobicContact CG-CE2 3.56Å; L144-F148 HydrophobicContact CG-CZ 3.89Å; L144-F148 PolarHBondContact O-N 3.21Å; L144-F211 HydrophobicContact CD1-CE2 4.41Å; L144-F211 HydrophobicContact CD1-CZ 4.43Å
145F96.3Very high94.4Very high88 Ų8854.9 Ų54.939%0.38628%0.275SS..Hα-helixtrans-57.6-42.4177.3-178.9-93.7000111.6F140 P141 E142 F148 T149 I166F140-F145 HydrophobicContact CB-CB 4.43Å; P141-F145 PolarHBondContact O-N 2.82Å; E142-F145 PolarHBondContact O-N 3.06Å; F145-F148 PolarHBondContact O-N 3.26Å; F145-T149 WeakPolarHBondContact CE1-OG1 3.38Å; F145-T149 WeakPolarHBondContact O-CB 3.24Å; F145-T149 PolarHBondContact O-N 3.37Å; F145-T149 PolarHBondContact O-OG1 3.38Å; F145-I166 HydrophobicContact CD2-CD1 4.4Å; F145-I166 HydrophobicContact CD2-CG2 3.87Å; F145-I166 HydrophobicContact CE2-CD1 4.07Å; F145-I166 HydrophobicContact CE2-CG2 3.93Å
146D96.2Very high94.6Very high55 Ų5562.7 Ų62.729%0.29431%0.308SS..Hα-helixtrans-61-46.8175.7-94.425000112.3E142 L144 F148 T149 R150E142-D146 WeakPolarHBondContact O-CB 3.31Å; E142-D146 PolarHBondContact O-N 2.84Å; L144-D146 VanDerWaalsContact C-N 3.27Å; L144-D146 PolarHBondContact O-N 3.02Å; D146-F148 PolarHBondContact O-N 3.08Å; D146-T149 PolarHBondContact O-N 3.28Å; D146-R150 WeakPolarHBondContact O-CB 3.38Å; D146-R150 VanDerWaalsContact O-CG 3.23Å; D146-R150 WeakPolarHBondContact O-CG 3.41Å; D146-R150 PolarHBondContact O-N 3.42Å; D146-R150 IonicContact OD2-CZ 3.88Å; D146-R150 IonicContact OD2-NH2 2.98Å; D146-R150 PolarHBondContact OD2-NH2 2.72Å
147L97.2Very high95.1Very high34 Ų3463.5 Ų63.518%0.17831%0.313CS..Hα-helixtrans-63.5-42178.8-72.4171.4000111.8F129 P143 L144 A151 F211 V215F129-L147 HydrophobicContact CD1-CD1 4.31Å; F129-L147 HydrophobicContact CE1-CD1 3.6Å; F129-L147 HydrophobicContact CZ-CD1 4.48Å; P143-L147 WeakPolarHBondContact O-CD1 3.3Å; P143-L147 VanDerWaalsContact O-CG 3.31Å; P143-L147 WeakPolarHBondContact O-CG 3.22Å; L144-L147 PolarHBondContact O-N 3.14Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 2.75Å; L147-F211 HydrophobicContact CB-CD2 4.33Å; L147-F211 HydrophobicContact CB-CE2 3.96Å; L147-F211 HydrophobicContact CD1-CE2 4.4Å; L147-V215 HydrophobicContact CD2-CG1 4.08Å
148F98.1Very high95.6Very high0 Ų065.6 Ų65.60%032%0.32CS..Hα-helixtrans-63.2-46.8174.4-72.7-26.4000112.2I87 F140 L144 F145 D146 R150 A151 L152 I166 L199 L207 F211I87-F148 HydrophobicContact CD1-CE1 4.4Å; I87-F148 HydrophobicContact CD1-CZ 4.17Å; F140-F148 HydrophobicContact CD2-CD2 4.13Å; F140-F148 AromaticContact CD2-CE2 3.94Å; F140-F148 HydrophobicContact CD2-CE2 3.94Å; F140-F148 HydrophobicContact CE2-CD2 4.3Å; F140-F148 AromaticContact CE2-CE2 3.83Å; F140-F148 HydrophobicContact CE2-CE2 3.83Å; F140-F148 HydrophobicContact CZ-CE2 4.37Å; L144-F148 HydrophobicContact CD1-CD1 4.32Å; L144-F148 HydrophobicContact CD1-CD2 4.21Å; L144-F148 HydrophobicContact CD1-CE1 3.85Å; L144-F148 HydrophobicContact CD1-CE2 3.74Å; L144-F148 HydrophobicContact CD1-CG 4.48Å; L144-F148 HydrophobicContact CD1-CZ 3.54Å; L144-F148 HydrophobicContact CD2-CE2 3.84Å; L144-F148 HydrophobicContact CD2-CZ 4.11Å; L144-F148 HydrophobicContact CG-CD2 3.99Å; L144-F148 HydrophobicContact CG-CE2 3.56Å; L144-F148 HydrophobicContact CG-CZ 3.89Å; L144-F148 PolarHBondContact O-N 3.21Å; F145-F148 PolarHBondContact O-N 3.26Å; D146-F148 PolarHBondContact O-N 3.08Å; F148-R150 PolarHBondContact O-N 3.17Å; F148-A151 PolarHBondContact O-N 2.93Å; F148-L152 WeakPolarHBondContact O-CB 3.3Å; F148-L152 WeakPolarHBondContact O-CG 3.39Å; F148-L152 PolarHBondContact O-N 3.18Å; F148-I166 HydrophobicContact CB-CD1 3.89Å; F148-I166 HydrophobicContact CB-CG1 3.98Å; F148-L199 HydrophobicContact CE2-CD2 4.09Å; F148-L199 HydrophobicContact CZ-CD2 3.55Å; F148-L207 HydrophobicContact CB-CD1 4.04Å; F148-L207 HydrophobicContact CD1-CD1 3.93Å; F148-L207 HydrophobicContact CD1-CD2 4.26Å; F148-L207 HydrophobicContact CD1-CG 4.13Å; F148-L207 HydrophobicContact CD2-CD1 4.43Å; F148-L207 HydrophobicContact CD2-CD2 4.14Å; F148-L207 HydrophobicContact CE1-CD1 4.5Å; F148-L207 HydrophobicContact CE1-CD2 4.09Å; F148-L207 HydrophobicContact CE1-CG 4.2Å; F148-L207 HydrophobicContact CE2-CD2 3.95Å; F148-L207 HydrophobicContact CG-CD1 3.9Å; F148-L207 HydrophobicContact CG-CD2 4.3Å; F148-L207 HydrophobicContact CG-CG 4.41Å; F148-L207 HydrophobicContact CZ-CD2 3.93Å; F148-F211 HydrophobicContact CD1-CB 4.02Å; F148-F211 HydrophobicContact CD1-CD1 4.46Å; F148-F211 AromaticContact CD1-CD2 3.58Å; F148-F211 HydrophobicContact CD1-CD2 3.58Å; F148-F211 HydrophobicContact CD1-CE2 4.14Å; F148-F211 AromaticContact CD1-CG 3.76Å; F148-F211 HydrophobicContact CD1-CG 3.76Å; F148-F211 HydrophobicContact CE1-CB 4.15Å; F148-F211 AromaticContact CE1-CD1 3.86Å; F148-F211 HydrophobicContact CE1-CD1 3.86Å; F148-F211 AromaticContact CE1-CD2 3.7Å; F148-F211 HydrophobicContact CE1-CD2 3.7Å; F148-F211 HydrophobicContact CE1-CE1 4.15Å; F148-F211 HydrophobicContact CE1-CE2 4Å; F148-F211 AromaticContact CE1-CG 3.62Å; F148-F211 HydrophobicContact CE1-CG 3.62Å; F148-F211 HydrophobicContact CE1-CZ 4.22Å
149T97.5Very high96.3Very high39 Ų3969.7 Ų69.724%0.23933%0.331CS..Hα-helixtrans-62-44.1-179.3-610000111.5F145 D146 Y153F145-T149 WeakPolarHBondContact CE1-OG1 3.38Å; F145-T149 WeakPolarHBondContact O-CB 3.24Å; F145-T149 PolarHBondContact O-N 3.37Å; F145-T149 PolarHBondContact O-OG1 3.38Å; D146-T149 PolarHBondContact O-N 3.28Å; T149-Y153 VanDerWaalsContact O-CB 3.31Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 3.31Å
150R97.8Very high96.9Very high138 Ų13873.1 Ų73.152%0.52135%0.351SS..Hα-helixtrans-66.9-45.6176.8-70.7176.2-159-1759111.6D146 F148 L152 Y153 M154D146-R150 WeakPolarHBondContact O-CB 3.38Å; D146-R150 VanDerWaalsContact O-CG 3.23Å; D146-R150 WeakPolarHBondContact O-CG 3.41Å; D146-R150 PolarHBondContact O-N 3.42Å; D146-R150 IonicContact OD2-CZ 3.88Å; D146-R150 IonicContact OD2-NH2 2.98Å; D146-R150 PolarHBondContact OD2-NH2 2.72Å; F148-R150 PolarHBondContact O-N 3.17Å; R150-L152 VanDerWaalsContact C-N 3.35Å; R150-L152 PolarHBondContact O-N 3.16Å; R150-Y153 WeakPolarHBondContact O-CB 3.23Å; R150-Y153 PolarHBondContact O-N 3.24Å; R150-M154 VanDerWaalsContact O-CG 3.3Å; R150-M154 WeakPolarHBondContact O-CG 3.37Å; R150-M154 PolarHBondContact O-N 3.42Å
151A97.9Very high96.9Very high2 Ų277.8 Ų77.82%0.01737%0.373CS..Hα-helixtrans-59.7-45.8179.200000112.3L147 F148 M154 A155 F211 H214L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 2.75Å; F148-A151 PolarHBondContact O-N 2.93Å; A151-M154 PolarHBondContact O-N 2.82Å; A151-A155 WeakPolarHBondContact O-CB 3.25Å; A151-A155 PolarHBondContact O-N 3.47Å; A151-F211 VanDerWaalsContact CB-CA 3.48Å; A151-F211 HydrophobicContact CB-CB 4.21Å; A151-H214 HydrophobicContact CB-CB 3.62Å
152L98.2Very high96.9Very high0 Ų079.6 Ų79.60%038%0.38CS..Hα-helixtrans-69.7-34.4177.7-67.8170.8000112.5F148 R150 A155 K156 V157 R162 L165 I166 L207 P210F148-L152 WeakPolarHBondContact O-CB 3.3Å; F148-L152 WeakPolarHBondContact O-CG 3.39Å; F148-L152 PolarHBondContact O-N 3.18Å; R150-L152 VanDerWaalsContact C-N 3.35Å; R150-L152 PolarHBondContact O-N 3.16Å; L152-A155 CarbonylContact O-C 3.48Å; L152-A155 PolarHBondContact O-N 3.06Å; L152-K156 PolarHBondContact O-N 3.34Å; L152-V157 HydrophobicContact CB-CB 4.18Å; L152-V157 HydrophobicContact CB-CG2 4.37Å; L152-V157 HydrophobicContact CD2-CB 4.47Å; L152-V157 HydrophobicContact CD2-CG2 4.01Å; L152-V157 WeakPolarHBondContact O-CB 3.2Å; L152-V157 PolarHBondContact O-N 3.03Å; L152-R162 HydrophobicContact CB-CB 4.47Å; L152-R162 HydrophobicContact CB-CG 3.6Å; L152-R162 HydrophobicContact CD1-CB 4.09Å; L152-R162 HydrophobicContact CD1-CG 4.03Å; L152-R162 HydrophobicContact CG-CG 4.44Å; L152-L165 HydrophobicContact CD1-CB 4.37Å; L152-L165 HydrophobicContact CD1-CD1 4.39Å; L152-L165 HydrophobicContact CD2-CD1 3.95Å; L152-I166 HydrophobicContact CD1-CD1 4.27Å; L152-I166 HydrophobicContact CD1-CG1 4.06Å; L152-L207 HydrophobicContact CD1-CD1 3.65Å; L152-L207 HydrophobicContact CD2-CD1 4.32Å; L152-L207 HydrophobicContact CG-CD1 4.08Å; L152-P210 HydrophobicContact CD2-CG 3.71Å
153Y97.9Very high97Very high153 Ų15376.5 Ų76.560%0.637%0.37SS*.Hα-helixtrans-58.2-49.5171.8-177.6-114.6000111.5T149 R150 A155 K156T149-Y153 VanDerWaalsContact O-CB 3.31Å; T149-Y153 WeakPolarHBondContact O-CB 3.45Å; T149-Y153 PolarHBondContact O-N 3.31Å; R150-Y153 WeakPolarHBondContact O-CB 3.23Å; R150-Y153 PolarHBondContact O-N 3.24Å; Y153-A155 PolarHBondContact O-N 3.31Å; Y153-K156 WeakPolarHBondContact O-CA 3.18Å; Y153-K156 PolarHBondContact O-N 2.68Å
154M97.2Very high97.1Very high131 Ų13175.3 Ų75.365%0.64537%0.366SS*.Hα-helixtrans-64.7-27.2179.1-65.7-56.6-65.300112.2R150 A151 K156R150-M154 VanDerWaalsContact O-CG 3.3Å; R150-M154 WeakPolarHBondContact O-CG 3.37Å; R150-M154 PolarHBondContact O-N 3.42Å; A151-M154 PolarHBondContact O-N 2.82Å; M154-K156 PolarHBondContact O-N 2.96Å
155A96.4Very high97.1Very high50 Ų5076.2 Ų76.241%0.41337%0.371SS..THydrogen-bonded Turntrans-81.77.9171.900000114A151 L152 Y153 V157 P210A151-A155 WeakPolarHBondContact O-CB 3.25Å; A151-A155 PolarHBondContact O-N 3.47Å; L152-A155 CarbonylContact O-C 3.48Å; L152-A155 PolarHBondContact O-N 3.06Å; Y153-A155 PolarHBondContact O-N 3.31Å; A155-V157 VanDerWaalsContact C-N 3.26Å; A155-V157 HydrophobicContact CB-CG2 4.22Å; A155-V157 PolarHBondContact O-N 2.84Å; A155-P210 HydrophobicContact CB-CB 3.61Å; A155-P210 HydrophobicContact CB-CG 4.43Å
156K97.4Very high97.1Very high186 Ų18672.2 Ų72.281%0.80935%0.353SS*.THydrogen-bonded Turntrans59.431.7179.2-53.6-178.4179.5-178.20114L152 Y153 M154L152-K156 PolarHBondContact O-N 3.34Å; Y153-K156 WeakPolarHBondContact O-CA 3.18Å; Y153-K156 PolarHBondContact O-N 2.68Å; M154-K156 PolarHBondContact O-N 2.96Å
157V97.4Very high97.1Very high24 Ų2473 Ų7315%0.14536%0.355CS..  trans-81.8129.3173.7-175.90000109.1L152 A155 E161 R162 L165L152-V157 HydrophobicContact CB-CB 4.18Å; L152-V157 HydrophobicContact CB-CG2 4.37Å; L152-V157 HydrophobicContact CD2-CB 4.47Å; L152-V157 HydrophobicContact CD2-CG2 4.01Å; L152-V157 WeakPolarHBondContact O-CB 3.2Å; L152-V157 PolarHBondContact O-N 3.03Å; A155-V157 VanDerWaalsContact C-N 3.26Å; A155-V157 HydrophobicContact CB-CG2 4.22Å; A155-V157 PolarHBondContact O-N 2.84Å; V157-E161 HydrophobicContact CG1-CB 3.85Å; V157-E161 HydrophobicContact CG1-CG 3.73Å; V157-R162 HydrophobicContact CB-CG 3.71Å; V157-R162 HydrophobicContact CG1-CG 3.59Å; V157-R162 WeakPolarHBondContact O-CD 3.4Å; V157-R162 VanDerWaalsContact O-CG 3.32Å; V157-R162 WeakPolarHBondContact O-CG 3.23Å; V157-R162 PolarHBondContact O-NE 2.97Å; V157-L165 HydrophobicContact CG1-CD1 4.14Å
158E97.4Very high97Very high134 Ų13477 Ų7763%0.62637%0.373SS*.  trans-67.8152.8-176.7-73.9-56.7141.300112.7E161 R162E158-E161 PolarHBondContact O-N 3.32Å; E158-E161 VanDerWaalsContact O-N 3.16Å; E158-R162 WeakPolarHBondContact O-CG 3.48Å; E158-R162 PolarHBondContact O-N 3.41Å
159R96.5Very high97Very high187 Ų18777 Ų7771%0.70637%0.373SS*.Hα-helixtrans-53.8-45.5-172-173.5-179.7179.2-177.70.5114.7R162 T163R159-R162 PolarHBondContact O-N 2.99Å; R159-T163 PolarHBondContact O-N 2.84Å; R159-T163 VanDerWaalsContact O-N 3.17Å; R159-T163 PolarHBondContact O-OG1 2.72Å
160P96.8Very high96.9Very high102 Ų10275.7 Ų75.766%0.66236%0.364SS*.Hα-helixtrans-62.3-44.4178.8-2234.7000112T163 A164P160-T163 PolarHBondContact O-N 3.28Å; P160-A164 PolarHBondContact O-N 2.92Å
161E97.2Very high96.7Very high104 Ų10477.3 Ų77.349%0.48638%0.375SS..Hα-helixtrans-66.4-40.1179.2-172.9178.2-172.600111.9V157 E158 T163 A164 L165V157-E161 HydrophobicContact CG1-CB 3.85Å; V157-E161 HydrophobicContact CG1-CG 3.73Å; E158-E161 PolarHBondContact O-N 3.32Å; E158-E161 VanDerWaalsContact O-N 3.16Å; E161-T163 VanDerWaalsContact C-N 3.29Å; E161-T163 PolarHBondContact O-N 3.14Å; E161-A164 PolarHBondContact O-N 3.44Å; E161-L165 HydrophobicContact CG-CD1 4.23Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CG 3.28Å; E161-L165 PolarHBondContact O-N 2.77Å
162R97Very high96.6Very high39 Ų3979.4 Ų79.415%0.14739%0.389CS..Hα-helixtrans-56.5-45.3173.8-71.5-169.8-75.5169.2-5.1112.5L152 V157 E158 R159 A164 L165 I166L152-R162 HydrophobicContact CB-CB 4.47Å; L152-R162 HydrophobicContact CB-CG 3.6Å; L152-R162 HydrophobicContact CD1-CB 4.09Å; L152-R162 HydrophobicContact CD1-CG 4.03Å; L152-R162 HydrophobicContact CG-CG 4.44Å; V157-R162 HydrophobicContact CB-CG 3.71Å; V157-R162 HydrophobicContact CG1-CG 3.59Å; V157-R162 WeakPolarHBondContact O-CD 3.4Å; V157-R162 VanDerWaalsContact O-CG 3.32Å; V157-R162 WeakPolarHBondContact O-CG 3.23Å; V157-R162 PolarHBondContact O-NE 2.97Å; E158-R162 WeakPolarHBondContact O-CG 3.48Å; E158-R162 PolarHBondContact O-N 3.41Å; R159-R162 PolarHBondContact O-N 2.99Å; R162-A164 VanDerWaalsContact C-N 3.34Å; R162-L165 PolarHBondContact O-N 2.72Å; R162-I166 VanDerWaalsContact O-CG1 3.3Å; R162-I166 WeakPolarHBondContact O-CG1 3.42Å; R162-I166 PolarHBondContact O-N 2.83Å; R162-I166 VanDerWaalsContact O-N 3.12Å
163T95.3Very high96.5Very high66 Ų6679.9 Ų79.941%0.40539%0.392SS..Hα-helixtrans-64.3-44-179.7-53.40000110.1R159 P160 E161 I166 Q167R159-T163 PolarHBondContact O-N 2.84Å; R159-T163 VanDerWaalsContact O-N 3.17Å; R159-T163 PolarHBondContact O-OG1 2.72Å; P160-T163 PolarHBondContact O-N 3.28Å; E161-T163 VanDerWaalsContact C-N 3.29Å; E161-T163 PolarHBondContact O-N 3.14Å; T163-I166 PolarHBondContact O-N 3.13Å; T163-Q167 WeakPolarHBondContact O-CB 3.26Å; T163-Q167 VanDerWaalsContact O-CG 3.31Å; T163-Q167 WeakPolarHBondContact O-CG 3.49Å; T163-Q167 PolarHBondContact O-N 2.77Å
164A96.3Very high96.4Very high50 Ų5078.1 Ų78.141%0.41339%0.388SS..Hα-helixtrans-61.8-46.6177.700000112.4P160 E161 R162 I166 Q167 E168P160-A164 PolarHBondContact O-N 2.92Å; E161-A164 PolarHBondContact O-N 3.44Å; R162-A164 VanDerWaalsContact C-N 3.34Å; A164-I166 PolarHBondContact O-N 3.23Å; A164-Q167 PolarHBondContact O-N 2.9Å; A164-E168 WeakPolarHBondContact O-CB 3.24Å; A164-E168 PolarHBondContact O-N 2.84Å
165L97.2Very high96.3Very high18 Ų1875.5 Ų75.59%0.09438%0.376CS..Hα-helixtrans-61.8-42179.1-72172.4000112.5L152 V157 E161 R162 E168 A169 T206L152-L165 HydrophobicContact CD1-CB 4.37Å; L152-L165 HydrophobicContact CD1-CD1 4.39Å; L152-L165 HydrophobicContact CD2-CD1 3.95Å; V157-L165 HydrophobicContact CG1-CD1 4.14Å; E161-L165 HydrophobicContact CG-CD1 4.23Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CG 3.28Å; E161-L165 PolarHBondContact O-N 2.77Å; R162-L165 PolarHBondContact O-N 2.72Å; L165-E168 PolarHBondContact O-N 2.96Å; L165-A169 WeakPolarHBondContact O-CB 3.15Å; L165-A169 PolarHBondContact O-N 3.13Å; L165-T206 HydrophobicContact CD1-CG2 3.91Å; L165-T206 HydrophobicContact CD2-CG2 3.8Å
166I97Very high96.2Very high4 Ų473.5 Ų73.52%0.02136%0.358CS..Hα-helixtrans-66.9-42.5177.5-65.5170.8000110.5F140 F145 F148 L152 R162 T163 A164 A169 R170 L207F140-I166 HydrophobicContact CD2-CG2 3.93Å; F140-I166 HydrophobicContact CE2-CG2 4.29Å; F145-I166 HydrophobicContact CD2-CD1 4.4Å; F145-I166 HydrophobicContact CD2-CG2 3.87Å; F145-I166 HydrophobicContact CE2-CD1 4.07Å; F145-I166 HydrophobicContact CE2-CG2 3.93Å; F148-I166 HydrophobicContact CB-CD1 3.89Å; F148-I166 HydrophobicContact CB-CG1 3.98Å; L152-I166 HydrophobicContact CD1-CD1 4.27Å; L152-I166 HydrophobicContact CD1-CG1 4.06Å; R162-I166 VanDerWaalsContact O-CG1 3.3Å; R162-I166 WeakPolarHBondContact O-CG1 3.42Å; R162-I166 PolarHBondContact O-N 2.83Å; R162-I166 VanDerWaalsContact O-N 3.12Å; T163-I166 PolarHBondContact O-N 3.13Å; A164-I166 PolarHBondContact O-N 3.23Å; I166-A169 PolarHBondContact O-N 2.93Å; I166-R170 PolarHBondContact O-N 3.22Å; I166-L207 HydrophobicContact CG1-CD1 4.13Å
167Q95.5Very high96Very high72 Ų7264.7 Ų64.734%0.33632%0.32SS..Hα-helixtrans-65.1-39.9176.5-75.7-178.7-11.800112.5T163 A164 R170 K171T163-Q167 WeakPolarHBondContact O-CB 3.26Å; T163-Q167 VanDerWaalsContact O-CG 3.31Å; T163-Q167 WeakPolarHBondContact O-CG 3.49Å; T163-Q167 PolarHBondContact O-N 2.77Å; A164-Q167 PolarHBondContact O-N 2.9Å; Q167-R170 WeakPolarHBondContact O-CB 3.3Å; Q167-R170 PolarHBondContact O-N 2.75Å; Q167-K171 WeakPolarHBondContact O-CG 3.27Å; Q167-K171 PolarHBondContact O-N 3.35Å
168E95.7Very high95.9Very high119 Ų11964 Ų6456%0.55632%0.316SS*.Hα-helixtrans-62.1-46.1175.2-175.3179.7-173.500111A164 L165 R170 K171 S172A164-E168 WeakPolarHBondContact O-CB 3.24Å; A164-E168 PolarHBondContact O-N 2.84Å; L165-E168 PolarHBondContact O-N 2.96Å; E168-R170 VanDerWaalsContact C-N 3.29Å; E168-R170 PolarHBondContact O-N 2.83Å; E168-K171 PolarHBondContact O-N 3.08Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-S172 WeakPolarHBondContact O-CB 3.24Å; E168-S172 PolarHBondContact O-N 3.06Å; E168-S172 PolarHBondContact O-OG 2.63Å
169A96.6Very high95.8Very high0 Ų057.6 Ų57.60%029%0.286CS..Hα-helixtrans-61.3-37.9175.100000112.6F140 L165 I166 S172 S173 L199 N204 L207F140-A169 HydrophobicContact CE2-CB 4.27Å; F140-A169 HydrophobicContact CZ-CB 4.45Å; L165-A169 WeakPolarHBondContact O-CB 3.15Å; L165-A169 PolarHBondContact O-N 3.13Å; I166-A169 PolarHBondContact O-N 2.93Å; A169-S172 WeakPolarHBondContact CA-OG 3.41Å; A169-S172 PolarHBondContact O-N 3.26Å; A169-S172 PolarHBondContact O-OG 3.45Å; A169-S173 WeakPolarHBondContact O-CB 3.44Å; A169-S173 PolarHBondContact O-N 3.16Å; A169-S173 PolarHBondContact O-OG 3.11Å; A169-L199 HydrophobicContact CB-CD1 3.94Å; A169-N204 WeakPolarHBondContact CA-OD1 3.32Å; A169-L207 HydrophobicContact CB-CD2 3.23Å
170R96.1Very high95.7Very high11 Ų1148.9 Ų48.94%0.04225%0.254CS..Hα-helixtrans-62.7-42.5174.7-178.665.7-170.982.42.7111.9T136 A139 F140 I166 Q167 E168 S173 Y197T136-R170 PolarHBondContact O-NH2 2.74Å; A139-R170 WeakPolarHBondContact O-CD 3.2Å; A139-R170 PolarHBondContact O-NE 3.48Å; A139-R170 VanDerWaalsContact O-NE 3.08Å; F140-R170 HydrophobicContact CD2-CB 4.37Å; F140-R170 HydrophobicContact CE2-CB 3.82Å; F140-R170 HydrophobicContact CZ-CB 3.96Å; I166-R170 PolarHBondContact O-N 3.22Å; Q167-R170 WeakPolarHBondContact O-CB 3.3Å; Q167-R170 PolarHBondContact O-N 2.75Å; E168-R170 VanDerWaalsContact C-N 3.29Å; E168-R170 PolarHBondContact O-N 2.83Å; R170-S173 WeakPolarHBondContact O-CB 3.3Å; R170-Y197 PolarHBondContact NH1-OH 3.35Å; R170-Y197 PolarHBondContact NH2-OH 2.87Å
171K94.6Very high95.6Very high171 Ų17144 Ų4474%0.74322%0.222SC*.Hα-helixtrans-70.8-36.1177.6-70.9172.5-177175.40112.7Q167 E168 S173Q167-K171 WeakPolarHBondContact O-CG 3.27Å; Q167-K171 PolarHBondContact O-N 3.35Å; E168-K171 PolarHBondContact O-N 3.08Å; E168-K171 VanDerWaalsContact O-N 3.17Å; K171-S173 VanDerWaalsContact C-N 3.34Å
172S94.6Very high95.5Very high46 Ų4640.5 Ų40.532%0.32221%0.208SC..Hα-helixtrans-79.1-18.4-179.676.40000113.2E168 A169 N204E168-S172 WeakPolarHBondContact O-CB 3.24Å; E168-S172 PolarHBondContact O-N 3.06Å; E168-S172 PolarHBondContact O-OG 2.63Å; A169-S172 WeakPolarHBondContact CA-OG 3.41Å; A169-S172 PolarHBondContact O-N 3.26Å; A169-S172 PolarHBondContact O-OG 3.45Å; S172-N204 PolarHBondContact OG-ND2 2.65Å; S172-N204 VanDerWaalsContact OG-ND2 3.08Å; S172-N204 PolarHBondContact OG-OD1 3.43Å
173S96.5Very high95.5Very high10 Ų1041.3 Ų41.37%0.0721%0.214CC..SBendtrans-59.6140.1176.2-67.60000112.4A169 R170 K171 V198 L199A169-S173 WeakPolarHBondContact O-CB 3.44Å; A169-S173 PolarHBondContact O-N 3.16Å; A169-S173 PolarHBondContact O-OG 3.11Å; R170-S173 WeakPolarHBondContact O-CB 3.3Å; K171-S173 VanDerWaalsContact C-N 3.34Å; S173-V198 WeakPolarHBondContact CA-O 3.36Å; S173-L199 WeakPolarHBondContact OG-CD1 3.37Å
174K95.3Very high95.4Very high116 Ų11644 Ų4450%0.50423%0.233SC..EExtended strand (participates in β ladder)trans-95.4115.7-177.8-62.4-57.6-176.8-175.50111.1Y197 V198 L234K174-Y197 CarbonylContact O-C 3.54Å; K174-Y197 VanDerWaalsContact O-CA 3.29Å; K174-Y197 WeakPolarHBondContact O-CA 2.99Å; K174-V198 PolarHBondContact N-O 3Å; K174-V198 PolarHBondContact O-N 2.88Å; K174-L234 HydrophobicContact CB-CD1 4.2Å; K174-L234 HydrophobicContact CB-CD2 4.13Å
175L94.4Very high95.4Very high77 Ų7746.7 Ų46.740%0.40323%0.232SC..EExtended strand (participates in β ladder)trans-67.6127.6170.9-178.355.6000109.5I177 N195 N196 Y197L175-I177 WeakPolarHBondContact CD1-O 3.03Å; L175-N195 WeakPolarHBondContact CD1-OD1 3.45Å; L175-N196 VanDerWaalsContact CD1-O 3.3Å; L175-N196 WeakPolarHBondContact CD1-O 3.48Å; L175-Y197 HydrophobicContact CB-CD1 4.01Å; L175-Y197 HydrophobicContact CB-CE1 3.59Å; L175-Y197 HydrophobicContact CD1-CD1 4.45Å; L175-Y197 HydrophobicContact CD1-CD2 4.43Å; L175-Y197 HydrophobicContact CD1-CE1 4.04Å; L175-Y197 HydrophobicContact CD1-CE2 4.01Å; L175-Y197 HydrophobicContact CG-CE1 4.33Å
176Y94.8Very high95.3Very high7 Ų746.2 Ų46.23%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-111.7-28.2175.868.1-94.1000113.7N196 V198 L237 R238 D241Y176-N196 HydrophobicContact CD1-CB 4.15Å; Y176-N196 WeakPolarHBondContact CD1-O 3.33Å; Y176-N196 VanDerWaalsContact CE1-C 3.47Å; Y176-N196 HydrophobicContact CE1-CB 3.4Å; Y176-N196 VanDerWaalsContact CE1-CB 3.4Å; Y176-N196 HydrophobicContact CE2-CB 3.97Å; Y176-N196 PolarHBondContact N-O 2.71Å; Y176-N196 WeakPolarHBondContact OH-CB 3.24Å; Y176-V198 HydrophobicContact CD1-CG2 4.06Å; Y176-V198 HydrophobicContact CE1-CG2 4.43Å; Y176-L237 HydrophobicContact CD1-CD1 4.28Å; Y176-L237 HydrophobicContact CD2-CB 3.67Å; Y176-L237 HydrophobicContact CE1-CD1 4.12Å; Y176-L237 HydrophobicContact CE2-CB 3.61Å; Y176-L237 HydrophobicContact CG-CB 4.18Å; Y176-R238 HydrophobicContact CD2-CB 4.37Å; Y176-R238 PolarHBondContact O-NH1 3.13Å; Y176-D241 WeakPolarHBondContact CE2-OD2 3.39Å; Y176-D241 PolarHBondContact OH-OD2 3.48Å
177I94.2Very high95.3Very high1 Ų146.3 Ų46.31%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-149141.1173-166.8170.5000109.9L175 I194 N196 R238 D241 I242 A253L175-I177 WeakPolarHBondContact CD1-O 3.03Å; I177-I194 HydrophobicContact CD1-CD1 4.17Å; I177-I194 HydrophobicContact CG1-CD1 4.2Å; I177-I194 HydrophobicContact CG2-CD1 3.86Å; I177-N196 HydrophobicContact CG2-CB 3.81Å; I177-N196 PolarHBondContact O-N 3Å; I177-R238 HydrophobicContact CB-CG 4.42Å; I177-D241 HydrophobicContact CD1-CB 3.98Å; I177-D241 HydrophobicContact CG2-CB 4.32Å; I177-I242 HydrophobicContact CD1-CG1 3.85Å; I177-A253 HydrophobicContact CD1-CB 4.49Å; I177-A253 HydrophobicContact CG1-CB 4.45Å
178S94.7Very high95.4Very high10 Ų1043.9 Ų43.97%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-149.1147.5176.7-155.70000109.7V43 R44 T45 I194 N195 A253V43-S178 VanDerWaalsContact CG2-OG 3.23Å; V43-S178 WeakPolarHBondContact CG2-OG 3.23Å; R44-S178 WeakPolarHBondContact O-CB 3.42Å; R44-S178 PolarHBondContact O-OG 3.21Å; T45-S178 VanDerWaalsContact CG2-O 3.22Å; T45-S178 WeakPolarHBondContact CG2-O 3.36Å; S178-I194 CarbonylContact C-O 3.53Å; S178-I194 VanDerWaalsContact CA-O 3.24Å; S178-I194 WeakPolarHBondContact CA-O 3.33Å; S178-I194 PolarHBondContact OG-O 3.38Å; S178-N195 PolarHBondContact OG-OD1 2.94Å; S178-A253 WeakPolarHBondContact O-CA 3.36Å
179G94.7Very high95.5Very high0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans137.3177.1172.500000113.5V43 T45 E193 I194 S252V43-G179 VanDerWaalsContact CG2-CA 3.41Å; T45-G179 VanDerWaalsContact CG2-CA 3.5Å; G179-E193 CarbonylContact O-C 3.58Å; G179-E193 WeakPolarHBondContact O-CA 3.43Å; G179-I194 PolarHBondContact N-O 2.97Å; G179-I194 WeakPolarHBondContact O-CG1 3.42Å; G179-I194 PolarHBondContact O-N 3.29Å; G179-S252 VanDerWaalsContact CA-OG 3.27Å; G179-S252 WeakPolarHBondContact CA-OG 3.3Å
180S95Very high95.5Very high3 Ų339.5 Ų39.52%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-64.6148.2168.763.90000110.4L192 Y251 S252 A253S180-L192 WeakPolarHBondContact CA-O 3.39Å; S180-Y251 WeakPolarHBondContact O-CB 3.44Å; S180-S252 PolarHBondContact N-OG 3.39Å; S180-S252 PolarHBondContact OG-N 3.25Å; S180-S252 PolarHBondContact OG-OG 3.29Å; S180-A253 WeakPolarHBondContact O-CB 3.33Å; S180-A253 PolarHBondContact O-N 3.01Å; S180-A253 VanDerWaalsContact O-N 3.11Å
181V95.4Very high95.6Very high0 Ų039 Ų390%020%0.198CC..  trans-135.2155.6176.7-69.70000110.7H183 N186 L192 I194 Y245 V247 Y251 A253V181-H183 PolarHBondContact O-N 2.76Å; V181-N186 PolarHBondContact O-ND2 2.65Å; V181-L192 HydrophobicContact CG2-CB 4.39Å; V181-L192 HydrophobicContact CG2-CD2 3.73Å; V181-L192 HydrophobicContact CG2-CG 4.01Å; V181-L192 PolarHBondContact N-O 3.3Å; V181-I194 HydrophobicContact CG1-CD1 3.63Å; V181-I194 HydrophobicContact CG1-CG1 3.86Å; V181-I194 HydrophobicContact CG2-CG2 3.88Å; V181-Y245 HydrophobicContact CB-CD1 4.21Å; V181-Y245 HydrophobicContact CB-CG 4.12Å; V181-Y245 HydrophobicContact CG1-CD2 4.16Å; V181-Y245 HydrophobicContact CG1-CG 4.14Å; V181-Y245 HydrophobicContact CG2-CD1 4.04Å; V181-Y245 HydrophobicContact CG2-CE1 4.18Å; V181-Y245 HydrophobicContact CG2-CG 4.37Å; V181-V247 HydrophobicContact CG1-CG2 4.09Å; V181-Y251 WeakPolarHBondContact O-CE1 3.4Å; V181-A253 HydrophobicContact CG1-CB 3.64Å
182P95.1Very high95.7Very high30 Ų3031.1 Ų31.120%0.19516%0.164CC..  trans-56.9133.7167.5-17.727.9000110.2Y245 Y251P182-Y245 VanDerWaalsContact CG-O 3.26Å; P182-Y245 WeakPolarHBondContact CG-O 3.39Å; P182-Y251 HydrophobicContact CB-CE1 4.47Å; P182-Y251 HydrophobicContact CB-CE2 4.04Å; P182-Y251 HydrophobicContact CG-CD1 4.45Å; P182-Y251 HydrophobicContact CG-CD2 3.64Å; P182-Y251 HydrophobicContact CG-CE1 4.34Å; P182-Y251 HydrophobicContact CG-CE2 3.51Å; P182-Y251 HydrophobicContact CG-CG 4.11Å
183H96.1Very high95.8Very high56 Ų5629 Ų2926%0.25915%0.149SC..  trans-154.3139.3174.1-162.1-95.2000110V181 W185 N186 L192V181-H183 PolarHBondContact O-N 2.76Å; H183-W185 AromaticContact CE1-CD1 3.73Å; H183-W185 AromaticContact CE1-CD2 3.32Å; H183-W185 AromaticContact CE1-CE2 3.68Å; H183-W185 AromaticContact CE1-CE3 3.72Å; H183-W185 AromaticContact CE1-CG 3.39Å; H183-W185 AromaticContact CE1-NE1 3.88Å; H183-W185 VanDerWaalsContact ND1-CB 3.33Å; H183-W185 WeakPolarHBondContact ND1-CB 3.37Å; H183-W185 AromaticContact ND1-CD1 3.83Å; H183-W185 AromaticContact ND1-CD2 3.68Å; H183-W185 AromaticContact ND1-CG 3.31Å; H183-W185 VanDerWaalsContact ND1-CG 3.31Å; H183-W185 PolarHBondContact ND1-N 2.96Å; H183-W185 VanDerWaalsContact ND1-N 3.19Å; H183-W185 PolarHBondContact O-N 2.88Å; H183-N186 PolarHBondContact N-ND2 3.34Å; H183-N186 WeakPolarHBondContact O-CB 3.45Å; H183-N186 PolarHBondContact O-N 2.73Å; H183-L192 HydrophobicContact CB-CB 4.01Å; H183-L192 HydrophobicContact CB-CD2 3.86Å; H183-L192 VanDerWaalsContact CD2-CD2 3.48Å; H183-L192 WeakPolarHBondContact CD2-CD2 2.98Å
184P94.4Very high95.7Very high124 Ų12428.5 Ų28.581%0.80515%0.146SC*.THydrogen-bonded Turntrans-59.4-14.5177.6-26.235.2000115
185W94.7Very high95.7Very high105 Ų10523.3 Ų23.340%0.39812%0.123SC..THydrogen-bonded Turntrans-91.3-11179-57.9-6.6000113.3L73 F74 F132 H183 T187L73-W185 HydrophobicContact CB-CB 4.41Å; L73-W185 HydrophobicContact CB-CD2 4.04Å; L73-W185 HydrophobicContact CB-CE3 4.34Å; L73-W185 HydrophobicContact CB-CG 4.09Å; L73-W185 VanDerWaalsContact CD1-CD1 3.48Å; L73-W185 HydrophobicContact CD1-CD2 4.06Å; L73-W185 HydrophobicContact CD1-CG 3.89Å; F74-W185 HydrophobicContact CD1-CE3 4.49Å; F74-W185 HydrophobicContact CE1-CB 4.28Å; F74-W185 HydrophobicContact CE1-CE3 4.08Å; F74-W185 VanDerWaalsContact CE2-C 3.49Å; F74-W185 HydrophobicContact CE2-CB 3.84Å; F74-W185 WeakPolarHBondContact CE2-O 3.36Å; F74-W185 HydrophobicContact CZ-CB 3.68Å; F132-W185 HydrophobicContact CE2-CZ3 4.3Å; F132-W185 HydrophobicContact CZ-CZ3 4.19Å; H183-W185 AromaticContact CE1-CD1 3.73Å; H183-W185 AromaticContact CE1-CD2 3.32Å; H183-W185 AromaticContact CE1-CE2 3.68Å; H183-W185 AromaticContact CE1-CE3 3.72Å; H183-W185 AromaticContact CE1-CG 3.39Å; H183-W185 AromaticContact CE1-NE1 3.88Å; H183-W185 VanDerWaalsContact ND1-CB 3.33Å; H183-W185 WeakPolarHBondContact ND1-CB 3.37Å; H183-W185 AromaticContact ND1-CD1 3.83Å; H183-W185 AromaticContact ND1-CD2 3.68Å; H183-W185 AromaticContact ND1-CG 3.31Å; H183-W185 VanDerWaalsContact ND1-CG 3.31Å; H183-W185 PolarHBondContact ND1-N 2.96Å; H183-W185 VanDerWaalsContact ND1-N 3.19Å; H183-W185 PolarHBondContact O-N 2.88Å; W185-T187 PolarHBondContact O-N 2.83Å
186N96.9Very high95.8Very high8 Ų819.6 Ų19.64%0.04310%0.104CC..  trans-58.9132.4178.6-70.2-13.2000109.8T66 V181 H183 W191 L192T66-N186 HydrophobicContact CG2-CB 4.25Å; V181-N186 PolarHBondContact O-ND2 2.65Å; H183-N186 PolarHBondContact N-ND2 3.34Å; H183-N186 WeakPolarHBondContact O-CB 3.45Å; H183-N186 PolarHBondContact O-N 2.73Å; N186-W191 HydrophobicContact CB-CB 4.46Å; N186-W191 WeakPolarHBondContact OD1-CA 3.29Å; N186-L192 PolarHBondContact OD1-N 2.94Å
187T97.1Very high96Very high6 Ų620.4 Ų20.44%0.03711%0.107CC..  trans-118.4179.9172.173.60000108.9N61 T66 Y68 G70 W185 N189 A190N61-T187 WeakPolarHBondContact CB-O 3.27Å; N61-T187 PolarHBondContact ND2-O 2.91Å; T66-T187 VanDerWaalsContact OG1-C 3.25Å; T66-T187 VanDerWaalsContact OG1-CA 3.29Å; T66-T187 WeakPolarHBondContact OG1-CA 3.5Å; Y68-T187 CarbonylContact O-C 3.57Å; Y68-T187 WeakPolarHBondContact O-CA 3.32Å; Y68-T187 VanDerWaalsContact O-CB 3.27Å; Y68-T187 WeakPolarHBondContact O-CB 3.4Å; G70-T187 WeakPolarHBondContact O-CB 3.34Å; G70-T187 PolarHBondContact O-OG1 3.01Å; W185-T187 PolarHBondContact O-N 2.83Å; T187-N189 PolarHBondContact O-N 3.17Å; T187-N189 PolarHBondContact OG1-N 3.46Å; T187-N189 VanDerWaalsContact OG1-N 3.11Å; T187-A190 PolarHBondContact N-O 2.87Å; T187-A190 PolarHBondContact OG1-N 2.82Å; T187-A190 PolarHBondContact OG1-O 3.45Å
188D96.6Very high96.1Very high21 Ų2120.3 Ų20.311%0.11211%0.107CC..SBendtrans-67.5-16.9173.1-60.7-10.7000112P3 A60 N61 I65 T66 G67 Y68P3-D188 WeakPolarHBondContact CG-OD2 3.48Å; A60-D188 CarbonylContact C-O 3.5Å; A60-D188 VanDerWaalsContact CA-O 3.32Å; A60-D188 WeakPolarHBondContact CA-O 3.47Å; N61-D188 PolarHBondContact N-O 2.83Å; I65-D188 WeakPolarHBondContact CA-OD1 3.46Å; T66-D188 PolarHBondContact N-OD1 3.38Å; T66-D188 PolarHBondContact OG1-N 2.9Å; T66-D188 PolarHBondContact OG1-OD1 3.41Å; G67-D188 PolarHBondContact N-OD1 2.79Å; Y68-D188 WeakPolarHBondContact O-CB 3.13Å; Y68-D188 PolarHBondContact O-N 2.91Å
189N97.2Very high96.2Very high27 Ų2719.9 Ų19.914%0.14410%0.104CC..SBendtrans-128.8-6-172.2-50.1118.1000115I58 P59 G70 W77 G78 T187I58-N189 HydrophobicContact CG2-CB 4.09Å; I58-N189 WeakPolarHBondContact CG2-ND2 3.5Å; P59-N189 WeakPolarHBondContact CG-O 3.18Å; P59-N189 VanDerWaalsContact O-CA 3.29Å; P59-N189 WeakPolarHBondContact O-CA 3.26Å; P59-N189 WeakPolarHBondContact O-CB 3.34Å; P59-N189 PolarHBondContact O-ND2 2.82Å; G70-N189 PolarHBondContact N-OD1 3.32Å; W77-N189 HydrophobicContact CE3-CB 3.68Å; W77-N189 HydrophobicContact CZ3-CB 3.54Å; G78-N189 WeakPolarHBondContact CA-O 3.49Å; G78-N189 PolarHBondContact N-O 3.39Å; T187-N189 PolarHBondContact O-N 3.17Å; T187-N189 PolarHBondContact OG1-N 3.46Å; T187-N189 VanDerWaalsContact OG1-N 3.11Å
190A97.8Very high96.1Very high0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-149.1135175.800000109.8L71 F74 G78 T187L71-A190 HydrophobicContact CD1-CB 4.13Å; F74-A190 HydrophobicContact CB-CB 4.07Å; F74-A190 HydrophobicContact CD2-CB 3.67Å; F74-A190 WeakPolarHBondContact CE2-O 3.48Å; F74-A190 HydrophobicContact CG-CB 4.26Å; G78-A190 VanDerWaalsContact O-CA 3.26Å; G78-A190 WeakPolarHBondContact O-CA 3.46Å; T187-A190 PolarHBondContact N-O 2.87Å; T187-A190 PolarHBondContact OG1-N 2.82Å; T187-A190 PolarHBondContact OG1-O 3.45Å
191W97.3Very high95.8Very high1 Ų121.6 Ų21.60%0.00411%0.111CC..EExtended strand (participates in β ladder)trans-145.4160.7-174.959.991.4000112.3Y52 P59 A60 N61 P62 G78 P79 N80 N186 E193Y52-W191 AromaticContact CD1-CH2 3.88Å; Y52-W191 HydrophobicContact CD1-CH2 3.88Å; Y52-W191 AromaticContact CD1-CZ2 3.58Å; Y52-W191 HydrophobicContact CD1-CZ2 3.58Å; Y52-W191 AromaticContact CD2-CH2 3.66Å; Y52-W191 HydrophobicContact CD2-CH2 3.66Å; Y52-W191 HydrophobicContact CD2-CZ2 4.24Å; Y52-W191 HydrophobicContact CE1-CH2 4.36Å; Y52-W191 HydrophobicContact CE1-CZ2 4.15Å; Y52-W191 HydrophobicContact CE2-CH2 4.18Å; Y52-W191 AromaticContact CG-CH2 3.49Å; Y52-W191 HydrophobicContact CG-CH2 3.49Å; Y52-W191 VanDerWaalsContact CG-CH2 3.49Å; Y52-W191 AromaticContact CG-CZ2 3.62Å; Y52-W191 HydrophobicContact CG-CZ2 3.62Å; P59-W191 HydrophobicContact CB-CH2 4.27Å; P59-W191 HydrophobicContact CB-CZ3 4.29Å; A60-W191 WeakPolarHBondContact O-CH2 3.32Å; A60-W191 WeakPolarHBondContact O-CZ3 3.33Å; N61-W191 VanDerWaalsContact CA-CE3 3.45Å; N61-W191 VanDerWaalsContact CA-CZ3 3.47Å; N61-W191 HydrophobicContact CB-CD2 4.37Å; N61-W191 HydrophobicContact CB-CE3 3.75Å; N61-W191 HydrophobicContact CB-CZ3 4.22Å; P62-W191 VanDerWaalsContact CD-CZ2 3.4Å; P62-W191 HydrophobicContact CG-CZ2 4.07Å; G78-W191 PolarHBondContact O-N 3.16Å; P79-W191 HydrophobicContact CB-CZ2 4.27Å; P79-W191 HydrophobicContact CG-CZ2 4.48Å; N80-W191 PolarHBondContact N-O 2.68Å; N186-W191 HydrophobicContact CB-CB 4.46Å; N186-W191 WeakPolarHBondContact OD1-CA 3.29Å; W191-E193 PolarHBondContact NE1-OE1 3.45Å
192L97.2Very high95.3Very high6 Ų622.4 Ų22.43%0.03112%0.115CC..EExtended strand (participates in β ladder)trans-82.1129.6175.2-171.864.9000110.3F74 F132 S180 V181 H183 N186 I194F74-L192 HydrophobicContact CE1-CB 4.2Å; F74-L192 HydrophobicContact CE1-CD1 4.26Å; F74-L192 HydrophobicContact CZ-CB 3.89Å; F132-L192 HydrophobicContact CE1-CD1 3.76Å; F132-L192 HydrophobicContact CZ-CD1 4.17Å; S180-L192 WeakPolarHBondContact CA-O 3.39Å; V181-L192 HydrophobicContact CG2-CB 4.39Å; V181-L192 HydrophobicContact CG2-CD2 3.73Å; V181-L192 HydrophobicContact CG2-CG 4.01Å; V181-L192 PolarHBondContact N-O 3.3Å; H183-L192 HydrophobicContact CB-CB 4.01Å; H183-L192 HydrophobicContact CB-CD2 3.86Å; H183-L192 VanDerWaalsContact CD2-CD2 3.48Å; H183-L192 WeakPolarHBondContact CD2-CD2 2.98Å; N186-L192 PolarHBondContact OD1-N 2.94Å; L192-I194 HydrophobicContact CD2-CG2 4.5Å; L192-I194 HydrophobicContact CG-CG2 4.43Å
193E96.2Very high94.9Very high0 Ų026.4 Ų26.40%013%0.13CC..EExtended strand (participates in β ladder)trans-118.2149.8160.2-56.7-163.7-179.100109.2R42 V43 P79 N80 V81 Y82 G179 W191R42-E193 VanDerWaalsContact CA-OE2 3.31Å; R42-E193 WeakPolarHBondContact CA-OE2 3.46Å; R42-E193 WeakPolarHBondContact CG-OE1 3.45Å; V43-E193 HydrophobicContact CG1-CB 4.05Å; V43-E193 HydrophobicContact CG2-CB 4.11Å; V43-E193 VanDerWaalsContact CG2-OE2 3.29Å; V43-E193 WeakPolarHBondContact CG2-OE2 3.22Å; V43-E193 PolarHBondContact N-OE2 2.95Å; P79-E193 HydrophobicContact CB-CG 4.07Å; N80-E193 PolarHBondContact O-N 3.02Å; V81-E193 CarbonylContact C-O 3.52Å; V81-E193 VanDerWaalsContact CA-O 3.3Å; V81-E193 WeakPolarHBondContact CA-O 3.05Å; V81-E193 HydrophobicContact CG2-CB 4.34Å; Y82-E193 PolarHBondContact N-O 3.25Å; G179-E193 CarbonylContact O-C 3.58Å; G179-E193 WeakPolarHBondContact O-CA 3.43Å; W191-E193 PolarHBondContact NE1-OE1 3.45Å
194I95.8Very high94.7Very high0 Ų024.3 Ų24.30%012%0.12CC..EExtended strand (participates in β ladder)trans-116.4150.6177.463.1170.9000110.6Y82 I177 S178 G179 V181 L192 Y245Y82-I194 VanDerWaalsContact O-CA 3.26Å; Y82-I194 WeakPolarHBondContact O-CA 3.36Å; I177-I194 HydrophobicContact CD1-CD1 4.17Å; I177-I194 HydrophobicContact CG1-CD1 4.2Å; I177-I194 HydrophobicContact CG2-CD1 3.86Å; S178-I194 CarbonylContact C-O 3.53Å; S178-I194 VanDerWaalsContact CA-O 3.24Å; S178-I194 WeakPolarHBondContact CA-O 3.33Å; S178-I194 PolarHBondContact OG-O 3.38Å; G179-I194 PolarHBondContact N-O 2.97Å; G179-I194 WeakPolarHBondContact O-CG1 3.42Å; G179-I194 PolarHBondContact O-N 3.29Å; V181-I194 HydrophobicContact CG1-CD1 3.63Å; V181-I194 HydrophobicContact CG1-CG1 3.86Å; V181-I194 HydrophobicContact CG2-CG2 3.88Å; L192-I194 HydrophobicContact CD2-CG2 4.5Å; L192-I194 HydrophobicContact CG-CG2 4.43Å; I194-Y245 HydrophobicContact CD1-CD2 4.15Å; I194-Y245 HydrophobicContact CD1-CE2 3.77Å
195N95Very high94.4Very high7 Ų720.8 Ų20.84%0.03710%0.098CC..EExtended strand (participates in β ladder)trans-144.890.7173.5-154.315.8000107.5V43 V81 Y82 M83 L175 S178 Y197V43-N195 HydrophobicContact CG1-CB 4.29Å; V81-N195 HydrophobicContact CG1-CB 3.98Å; Y82-N195 PolarHBondContact O-N 2.92Å; M83-N195 VanDerWaalsContact CG-O 3.24Å; M83-N195 WeakPolarHBondContact CG-O 3.43Å; L175-N195 WeakPolarHBondContact CD1-OD1 3.45Å; S178-N195 PolarHBondContact OG-OD1 2.94Å; N195-Y197 HydrophobicContact CB-CE2 4.04Å; N195-Y197 VanDerWaalsContact CG-CE2 3.48Å; N195-Y197 PolarHBondContact ND2-OH 2.83Å; N195-Y197 VanDerWaalsContact O-CD2 3.3Å; N195-Y197 WeakPolarHBondContact O-CD2 3.47Å; N195-Y197 WeakPolarHBondContact O-CE2 3.42Å; N195-Y197 PolarHBondContact OD1-OH 3.17Å
196N96.5Very high94.2Very high0 Ų019.9 Ų19.90%010%0.104CC..EExtended strand (participates in β ladder)trans-106.1134.4-167.7-60.2-17.8000112.3K84 L175 Y176 I177 D241K84-N196 HydrophobicContact CB-CB 4.21Å; K84-N196 PolarHBondContact N-OD1 3.41Å; K84-N196 CarbonylContact O-C 3.6Å; K84-N196 VanDerWaalsContact O-CA 3.27Å; K84-N196 WeakPolarHBondContact O-CA 3.5Å; L175-N196 VanDerWaalsContact CD1-O 3.3Å; L175-N196 WeakPolarHBondContact CD1-O 3.48Å; Y176-N196 HydrophobicContact CD1-CB 4.15Å; Y176-N196 WeakPolarHBondContact CD1-O 3.33Å; Y176-N196 VanDerWaalsContact CE1-C 3.47Å; Y176-N196 HydrophobicContact CE1-CB 3.4Å; Y176-N196 VanDerWaalsContact CE1-CB 3.4Å; Y176-N196 HydrophobicContact CE2-CB 3.97Å; Y176-N196 PolarHBondContact N-O 2.71Å; Y176-N196 WeakPolarHBondContact OH-CB 3.24Å; I177-N196 HydrophobicContact CG2-CB 3.81Å; I177-N196 PolarHBondContact O-N 3Å; N196-D241 PolarHBondContact ND2-OD2 3.27Å
197Y97.5Very high94.2Very high23 Ų2319.7 Ų19.79%0.0910%0.102CC..EExtended strand (participates in β ladder)trans-125154.6-168.7-69.8-91.8000113.1M83 K84 V85 L86 R170 K174 L175 N195M83-Y197 HydrophobicContact CE-CD2 4.25Å; M83-Y197 HydrophobicContact CE-CE2 3.91Å; M83-Y197 HydrophobicContact CG-CD2 4.33Å; M83-Y197 HydrophobicContact SD-CD2 4.26Å; K84-Y197 PolarHBondContact O-N 3.09Å; V85-Y197 WeakPolarHBondContact CA-O 3.41Å; L86-Y197 PolarHBondContact N-O 3.08Å; R170-Y197 PolarHBondContact NH1-OH 3.35Å; R170-Y197 PolarHBondContact NH2-OH 2.87Å; K174-Y197 CarbonylContact O-C 3.54Å; K174-Y197 VanDerWaalsContact O-CA 3.29Å; K174-Y197 WeakPolarHBondContact O-CA 2.99Å; L175-Y197 HydrophobicContact CB-CD1 4.01Å; L175-Y197 HydrophobicContact CB-CE1 3.59Å; L175-Y197 HydrophobicContact CD1-CD1 4.45Å; L175-Y197 HydrophobicContact CD1-CD2 4.43Å; L175-Y197 HydrophobicContact CD1-CE1 4.04Å; L175-Y197 HydrophobicContact CD1-CE2 4.01Å; L175-Y197 HydrophobicContact CG-CE1 4.33Å; N195-Y197 HydrophobicContact CB-CE2 4.04Å; N195-Y197 VanDerWaalsContact CG-CE2 3.48Å; N195-Y197 PolarHBondContact ND2-OH 2.83Å; N195-Y197 VanDerWaalsContact O-CD2 3.3Å; N195-Y197 WeakPolarHBondContact O-CD2 3.47Å; N195-Y197 WeakPolarHBondContact O-CE2 3.42Å; N195-Y197 PolarHBondContact OD1-OH 3.17Å
198V97.2Very high94Very high0 Ų019.5 Ų19.50%010%0.102CC..EExtended strand (participates in β ladder)trans-111.7123162.81720000108.7L86 V88 S173 K174 Y176 V230 L234 L237L86-V198 HydrophobicContact CB-CG2 4.29Å; L86-V198 CarbonylContact O-C 3.58Å; L86-V198 WeakPolarHBondContact O-CA 3.33Å; V88-V198 HydrophobicContact CB-CG1 4.21Å; V88-V198 HydrophobicContact CG1-CG1 3.76Å; V88-V198 HydrophobicContact CG2-CG1 3.36Å; S173-V198 WeakPolarHBondContact CA-O 3.36Å; K174-V198 PolarHBondContact N-O 3Å; K174-V198 PolarHBondContact O-N 2.88Å; Y176-V198 HydrophobicContact CD1-CG2 4.06Å; Y176-V198 HydrophobicContact CE1-CG2 4.43Å; V198-V230 HydrophobicContact CG1-CG1 4.42Å; V198-L234 HydrophobicContact CB-CD2 3.79Å; V198-L234 HydrophobicContact CG2-CD2 3.49Å; V198-L234 VanDerWaalsContact CG2-CD2 3.49Å; V198-L237 HydrophobicContact CG2-CD1 3.68Å
199L96.3Very high93.6Very high0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-99.6121.7172.3175.264.2000109.5V85 L86 I87 V88 F140 F148 A169 S173 N204V85-L199 HydrophobicContact CG1-CB 4.2Å; L86-L199 PolarHBondContact O-N 3.39Å; I87-L199 HydrophobicContact CG1-CD2 4.41Å; V88-L199 PolarHBondContact N-O 3.44Å; F140-L199 HydrophobicContact CZ-CD2 4.42Å; F148-L199 HydrophobicContact CE2-CD2 4.09Å; F148-L199 HydrophobicContact CZ-CD2 3.55Å; A169-L199 HydrophobicContact CB-CD1 3.94Å; S173-L199 WeakPolarHBondContact OG-CD1 3.37Å; L199-N204 WeakPolarHBondContact CD1-ND2 3.13Å
200R92.2Very high93.5Very high31 Ų3119.9 Ų19.912%0.11710%0.104CC..EExtended strand (participates in β ladder)trans-87.8109.3176.5-76.3-17669.4164.73.3110.9V88 E92 D202 K203 N204 V230V88-R200 HydrophobicContact CG2-CG 3.94Å; E92-R200 VanDerWaalsContact CD-NH1 3.27Å; E92-R200 IonicContact OE1-CZ 3.12Å; E92-R200 IonicContact OE1-NH1 2.76Å; E92-R200 PolarHBondContact OE1-NH1 3.2Å; E92-R200 IonicContact OE1-NH2 2.65Å; E92-R200 IonicContact OE2-CZ 3.47Å; E92-R200 IonicContact OE2-NH1 3.14Å; E92-R200 PolarHBondContact OE2-NH1 2.98Å; E92-R200 IonicContact OE2-NH2 2.97Å; E92-R200 PolarHBondContact OE2-NH2 2.98Å; R200-D202 VanDerWaalsContact C-N 3.3Å; R200-D202 WeakPolarHBondContact CB-OD1 3.38Å; R200-D202 IonicContact CZ-OD2 3.26Å; R200-D202 VanDerWaalsContact CZ-OD2 3.26Å; R200-D202 IonicContact NE-OD1 3.39Å; R200-D202 PolarHBondContact NE-OD1 3.21Å; R200-D202 IonicContact NE-OD2 3.09Å; R200-D202 PolarHBondContact NE-OD2 2.97Å; R200-D202 VanDerWaalsContact NE-OD2 3.09Å; R200-D202 IonicContact NH2-OD2 2.71Å; R200-D202 PolarHBondContact NH2-OD2 2.05Å; R200-D202 PolarHBondContact O-N 3.49Å; R200-K203 HydrophobicContact CB-CB 4.04Å; R200-K203 HydrophobicContact CB-CG 3.87Å; R200-K203 VanDerWaalsContact CZ-CE 3.44Å; R200-K203 PolarHBondContact O-N 2.9Å; R200-K203 VanDerWaalsContact O-N 3.16Å; R200-N204 PolarHBondContact O-N 3.03Å; R200-N204 PolarHBondContact O-ND2 2.78Å; R200-V230 HydrophobicContact CG-CG2 4.44Å
201C90.2Very high93.4Very high8 Ų819.9 Ų19.95%0.05410%0.104CC..G310 helixtrans-67.1-31.1177.2-90.20000113.4I87 V88 K203 N204 C208 W221I87-C201 HydrophobicContact CG2-CB 4.48Å; I87-C201 WeakPolarHBondContact CG2-SG 3.27Å; V88-C201 PolarHBondContact O-N 3.28Å; C201-K203 PolarHBondContact O-N 3.21Å; C201-N204 CarbonylContact O-C 3.57Å; C201-N204 PolarHBondContact O-N 3.38Å; C201-N204 VanDerWaalsContact O-N 3.15Å; C201-C208 WeakPolarHBondContact CA-SG 3.35Å; C201-C208 HydrophobicContact CB-CB 3.56Å; C201-C208 WeakPolarHBondContact CB-SG 3.48Å; C201-C208 WeakPolarHBondContact SG-CB 3.47Å; C201-C208 CovalentContact SG-SG 2.05Å; C201-C208 PolarHBondContact SG-SG 2.91Å; C201-W221 HydrophobicContact CB-CH2 4.29Å; C201-W221 HydrophobicContact CB-CZ2 4.42Å
202D84.8Confident93.2Very high18 Ų1820.6 Ų20.610%0.09611%0.108CC..G310 helixtrans-65-16.8173.960.2-69.4000113.3R200R200-D202 VanDerWaalsContact C-N 3.3Å; R200-D202 WeakPolarHBondContact CB-OD1 3.38Å; R200-D202 IonicContact CZ-OD2 3.26Å; R200-D202 VanDerWaalsContact CZ-OD2 3.26Å; R200-D202 IonicContact NE-OD1 3.39Å; R200-D202 PolarHBondContact NE-OD1 3.21Å; R200-D202 IonicContact NE-OD2 3.09Å; R200-D202 PolarHBondContact NE-OD2 2.97Å; R200-D202 VanDerWaalsContact NE-OD2 3.09Å; R200-D202 IonicContact NH2-OD2 2.71Å; R200-D202 PolarHBondContact NH2-OD2 2.05Å; R200-D202 PolarHBondContact O-N 3.49Å
203K86.9Confident92.9Very high114 Ų11426.4 Ų26.450%0.49613%0.129SC..G310 helixtrans-103.6-7175.6-58.2-58.9179-178.60113.6R200 C201 P205R200-K203 HydrophobicContact CB-CB 4.04Å; R200-K203 HydrophobicContact CB-CG 3.87Å; R200-K203 VanDerWaalsContact CZ-CE 3.44Å; R200-K203 PolarHBondContact O-N 2.9Å; R200-K203 VanDerWaalsContact O-N 3.16Å; C201-K203 PolarHBondContact O-N 3.21Å; K203-P205 VanDerWaalsContact C-CD 3.43Å
204N91.1Very high92.8Very high12 Ų1230 Ų306%0.06415%0.146CC..  trans-131.953.6-178.7-61.5-89.5000110.7A169 S172 L199 R200 C201 T206 L207 C208A169-N204 WeakPolarHBondContact CA-OD1 3.32Å; S172-N204 PolarHBondContact OG-ND2 2.65Å; S172-N204 VanDerWaalsContact OG-ND2 3.08Å; S172-N204 PolarHBondContact OG-OD1 3.43Å; L199-N204 WeakPolarHBondContact CD1-ND2 3.13Å; R200-N204 PolarHBondContact O-N 3.03Å; R200-N204 PolarHBondContact O-ND2 2.78Å; C201-N204 CarbonylContact O-C 3.57Å; C201-N204 PolarHBondContact O-N 3.38Å; C201-N204 VanDerWaalsContact O-N 3.15Å; N204-T206 PolarHBondContact O-N 3.42Å; N204-L207 PolarHBondContact O-N 2.9Å; N204-C208 WeakPolarHBondContact O-CB 3.04Å; N204-C208 PolarHBondContact O-N 2.86Å
205P88.1Confident92.7Very high50 Ų5030.2 Ų30.233%0.32515%0.147SC..Hα-helixtrans-62.9-38.9-171.225.4-34.8000112.9K203 L207 C208 I209K203-P205 VanDerWaalsContact C-CD 3.43Å; P205-L207 PolarHBondContact O-N 2.95Å; P205-C208 PolarHBondContact O-N 2.86Å; P205-I209 HydrophobicContact CB-CD1 4.09Å; P205-I209 HydrophobicContact CB-CG1 4.46Å; P205-I209 WeakPolarHBondContact O-CB 3.47Å; P205-I209 VanDerWaalsContact O-CG1 3.23Å; P205-I209 WeakPolarHBondContact O-CG1 3.04Å; P205-I209 PolarHBondContact O-N 3.37Å
206T91.3Very high92.5Very high86 Ų8636 Ų3653%0.52817%0.169SC..Hα-helixtrans-60.4-33.4-180-44.10000112.4L165 N204 P210L165-T206 HydrophobicContact CD1-CG2 3.91Å; L165-T206 HydrophobicContact CD2-CG2 3.8Å; N204-T206 PolarHBondContact O-N 3.42Å; T206-P210 VanDerWaalsContact O-CD 3.24Å; T206-P210 WeakPolarHBondContact O-CD 3.49Å; T206-P210 VanDerWaalsContact O-CG 3.25Å; T206-P210 WeakPolarHBondContact O-CG 3.31Å
207L95Very high92.3Very high3 Ų342 Ų422%0.01620%0.197CC..Hα-helixtrans-82-48.4171.8177.767.8000111.9F148 L152 I166 A169 N204 P205 P210 F211F148-L207 HydrophobicContact CB-CD1 4.04Å; F148-L207 HydrophobicContact CD1-CD1 3.93Å; F148-L207 HydrophobicContact CD1-CD2 4.26Å; F148-L207 HydrophobicContact CD1-CG 4.13Å; F148-L207 HydrophobicContact CD2-CD1 4.43Å; F148-L207 HydrophobicContact CD2-CD2 4.14Å; F148-L207 HydrophobicContact CE1-CD1 4.5Å; F148-L207 HydrophobicContact CE1-CD2 4.09Å; F148-L207 HydrophobicContact CE1-CG 4.2Å; F148-L207 HydrophobicContact CE2-CD2 3.95Å; F148-L207 HydrophobicContact CG-CD1 3.9Å; F148-L207 HydrophobicContact CG-CD2 4.3Å; F148-L207 HydrophobicContact CG-CG 4.41Å; F148-L207 HydrophobicContact CZ-CD2 3.93Å; L152-L207 HydrophobicContact CD1-CD1 3.65Å; L152-L207 HydrophobicContact CD2-CD1 4.32Å; L152-L207 HydrophobicContact CG-CD1 4.08Å; I166-L207 HydrophobicContact CG1-CD1 4.13Å; A169-L207 HydrophobicContact CB-CD2 3.23Å; N204-L207 PolarHBondContact O-N 2.9Å; P205-L207 PolarHBondContact O-N 2.95Å; L207-P210 WeakPolarHBondContact O-CD 3.4Å; L207-P210 WeakPolarHBondContact O-CG 3.31Å; L207-F211 VanDerWaalsContact O-CB 3.31Å; L207-F211 WeakPolarHBondContact O-CB 3.26Å; L207-F211 PolarHBondContact O-N 3.24Å
208C93.3Very high92.2Very high3 Ų345.4 Ų45.42%0.0222%0.216CC..Hα-helixtrans-74.2-33.7-168.7-84.20000113.9C201 N204 P205 F211 L212C201-C208 WeakPolarHBondContact CA-SG 3.35Å; C201-C208 HydrophobicContact CB-CB 3.56Å; C201-C208 WeakPolarHBondContact CB-SG 3.48Å; C201-C208 WeakPolarHBondContact SG-CB 3.47Å; C201-C208 CovalentContact SG-SG 2.05Å; C201-C208 PolarHBondContact SG-SG 2.91Å; N204-C208 WeakPolarHBondContact O-CB 3.04Å; N204-C208 PolarHBondContact O-N 2.86Å; P205-C208 PolarHBondContact O-N 2.86Å; C208-F211 PolarHBondContact O-N 3.15Å; C208-L212 HydrophobicContact CB-CD1 4.45Å; C208-L212 VanDerWaalsContact O-CB 3.31Å; C208-L212 WeakPolarHBondContact O-CB 3.45Å; C208-L212 WeakPolarHBondContact O-CG 3.31Å; C208-L212 PolarHBondContact O-N 3.41Å
209I89.7Confident92Very high36 Ų3646.8 Ų46.819%0.18522%0.222CC..Hα-helixtrans-60-55179.2-67.3174.9000111.7I103 P205 F211 L212 R213I103-I209 HydrophobicContact CD1-CG1 4.27Å; I103-I209 HydrophobicContact CG1-CD1 4.38Å; I103-I209 HydrophobicContact CG1-CG1 4.04Å; P205-I209 HydrophobicContact CB-CD1 4.09Å; P205-I209 HydrophobicContact CB-CG1 4.46Å; P205-I209 WeakPolarHBondContact O-CB 3.47Å; P205-I209 VanDerWaalsContact O-CG1 3.23Å; P205-I209 WeakPolarHBondContact O-CG1 3.04Å; P205-I209 PolarHBondContact O-N 3.37Å; I209-F211 VanDerWaalsContact C-N 3.31Å; I209-F211 PolarHBondContact O-N 3.22Å; I209-L212 PolarHBondContact O-N 3.12Å; I209-R213 WeakPolarHBondContact O-CG 3.42Å; I209-R213 PolarHBondContact O-N 3.44Å; I209-R213 VanDerWaalsContact O-N 3.09Å
210P93.9Very high91.8Very high19 Ų1950.1 Ų50.112%0.12324%0.237CC..Hα-helixtrans-64.3-37176.823.8-32.3000112L152 A155 T206 L207 R213 H214L152-P210 HydrophobicContact CD2-CG 3.71Å; A155-P210 HydrophobicContact CB-CB 3.61Å; A155-P210 HydrophobicContact CB-CG 4.43Å; T206-P210 VanDerWaalsContact O-CD 3.24Å; T206-P210 WeakPolarHBondContact O-CD 3.49Å; T206-P210 VanDerWaalsContact O-CG 3.25Å; T206-P210 WeakPolarHBondContact O-CG 3.31Å; L207-P210 WeakPolarHBondContact O-CD 3.4Å; L207-P210 WeakPolarHBondContact O-CG 3.31Å; P210-R213 PolarHBondContact O-N 3.45Å; P210-H214 WeakPolarHBondContact O-CB 3.2Å; P210-H214 PolarHBondContact O-N 3.49Å
211F95.9Very high91.7Very high0 Ų050.8 Ų50.80%024%0.24CC..Hα-helixtrans-58-53.1174.6167.1-110.2000112.8I87 L120 F129 L144 L147 F148 A151 L207 C208 I209 R213 H214 V215I87-F211 HydrophobicContact CD1-CD1 4.45Å; I87-F211 HydrophobicContact CD1-CE1 3.47Å; I87-F211 VanDerWaalsContact CD1-CE1 3.47Å; I87-F211 HydrophobicContact CD1-CZ 3.63Å; L120-F211 HydrophobicContact CD2-CE1 3.55Å; L120-F211 HydrophobicContact CD2-CZ 3.9Å; F129-F211 HydrophobicContact CE2-CZ 4.49Å; F129-F211 AromaticContact CZ-CZ 3.99Å; F129-F211 HydrophobicContact CZ-CZ 3.99Å; L144-F211 HydrophobicContact CD1-CE2 4.41Å; L144-F211 HydrophobicContact CD1-CZ 4.43Å; L147-F211 HydrophobicContact CB-CD2 4.33Å; L147-F211 HydrophobicContact CB-CE2 3.96Å; L147-F211 HydrophobicContact CD1-CE2 4.4Å; F148-F211 HydrophobicContact CD1-CB 4.02Å; F148-F211 HydrophobicContact CD1-CD1 4.46Å; F148-F211 AromaticContact CD1-CD2 3.58Å; F148-F211 HydrophobicContact CD1-CD2 3.58Å; F148-F211 HydrophobicContact CD1-CE2 4.14Å; F148-F211 AromaticContact CD1-CG 3.76Å; F148-F211 HydrophobicContact CD1-CG 3.76Å; F148-F211 HydrophobicContact CE1-CB 4.15Å; F148-F211 AromaticContact CE1-CD1 3.86Å; F148-F211 HydrophobicContact CE1-CD1 3.86Å; F148-F211 AromaticContact CE1-CD2 3.7Å; F148-F211 HydrophobicContact CE1-CD2 3.7Å; F148-F211 HydrophobicContact CE1-CE1 4.15Å; F148-F211 HydrophobicContact CE1-CE2 4Å; F148-F211 AromaticContact CE1-CG 3.62Å; F148-F211 HydrophobicContact CE1-CG 3.62Å; F148-F211 HydrophobicContact CE1-CZ 4.22Å; A151-F211 VanDerWaalsContact CB-CA 3.48Å; A151-F211 HydrophobicContact CB-CB 4.21Å; L207-F211 VanDerWaalsContact O-CB 3.31Å; L207-F211 WeakPolarHBondContact O-CB 3.26Å; L207-F211 PolarHBondContact O-N 3.24Å; C208-F211 PolarHBondContact O-N 3.15Å; I209-F211 VanDerWaalsContact C-N 3.31Å; I209-F211 PolarHBondContact O-N 3.22Å; F211-R213 VanDerWaalsContact C-N 3.3Å; F211-R213 PolarHBondContact O-N 3.26Å; F211-H214 WeakPolarHBondContact O-CB 3.39Å; F211-H214 PolarHBondContact O-N 3Å; F211-V215 HydrophobicContact CD2-CG1 3.99Å; F211-V215 HydrophobicContact CD2-CG2 4.48Å; F211-V215 HydrophobicContact CE1-CG2 4.27Å; F211-V215 HydrophobicContact CE2-CG1 3.68Å; F211-V215 HydrophobicContact CE2-CG2 4.09Å; F211-V215 HydrophobicContact CZ-CG1 4.35Å; F211-V215 HydrophobicContact CZ-CG2 3.98Å; F211-V215 WeakPolarHBondContact O-CG2 3.1Å; F211-V215 PolarHBondContact O-N 3.03Å
212L92.8Very high91.6Very high17 Ų1755.2 Ų55.29%0.08926%0.255CS..Hα-helixtrans-63.7-36.4-179.2-68.5170.4000111.7I103 L120 C208 I209 H214 V215 R216 W221I103-L212 HydrophobicContact CD1-CD1 4.27Å; L120-L212 HydrophobicContact CD1-CD2 3.79Å; L120-L212 HydrophobicContact CD2-CD2 3.93Å; C208-L212 HydrophobicContact CB-CD1 4.45Å; C208-L212 VanDerWaalsContact O-CB 3.31Å; C208-L212 WeakPolarHBondContact O-CB 3.45Å; C208-L212 WeakPolarHBondContact O-CG 3.31Å; C208-L212 PolarHBondContact O-N 3.41Å; I209-L212 PolarHBondContact O-N 3.12Å; L212-H214 VanDerWaalsContact C-N 3.34Å; L212-V215 PolarHBondContact O-N 2.03Å; L212-R216 WeakPolarHBondContact O-CA 3.47Å; L212-R216 WeakPolarHBondContact O-CB 3.3Å; L212-R216 PolarHBondContact O-N 3.08Å; L212-W221 HydrophobicContact CD1-CZ2 3.9Å; L212-W221 HydrophobicContact CD2-CZ2 3.77Å; L212-W221 HydrophobicContact CG-CZ2 4.48Å
213R91.1Very high91.8Very high127 Ų12757.6 Ų57.648%0.47927%0.272SS..Hα-helixtrans-62.5-42171.8-73.1177.5-176.6169.73.6111.8I209 P210 F211 R216I209-R213 WeakPolarHBondContact O-CG 3.42Å; I209-R213 PolarHBondContact O-N 3.44Å; I209-R213 VanDerWaalsContact O-N 3.09Å; P210-R213 PolarHBondContact O-N 3.45Å; F211-R213 VanDerWaalsContact C-N 3.3Å; F211-R213 PolarHBondContact O-N 3.26Å; R213-R216 WeakPolarHBondContact O-CD 3.4Å; R213-R216 WeakPolarHBondContact O-CG 3.36Å
214H94.2Very high91.8Very high77 Ų7755.4 Ų55.436%0.35626%0.26SS..Hα-helixtrans-65.7-37.5179.8-175.956.8000112.4A151 P210 F211 L212A151-H214 HydrophobicContact CB-CB 3.62Å; P210-H214 WeakPolarHBondContact O-CB 3.2Å; P210-H214 PolarHBondContact O-N 3.49Å; F211-H214 WeakPolarHBondContact O-CB 3.39Å; F211-H214 PolarHBondContact O-N 3Å; L212-H214 VanDerWaalsContact C-N 3.34Å
215V94.1Very high91.6Very high3 Ų363 Ų632%0.01830%0.296CS..Hα-helixtrans-102.96.3-173.7-510000114.6L147 F211 L212 H217 D218 Y219L147-V215 HydrophobicContact CD2-CG1 4.08Å; F211-V215 HydrophobicContact CD2-CG1 3.99Å; F211-V215 HydrophobicContact CD2-CG2 4.48Å; F211-V215 HydrophobicContact CE1-CG2 4.27Å; F211-V215 HydrophobicContact CE2-CG1 3.68Å; F211-V215 HydrophobicContact CE2-CG2 4.09Å; F211-V215 HydrophobicContact CZ-CG1 4.35Å; F211-V215 HydrophobicContact CZ-CG2 3.98Å; F211-V215 WeakPolarHBondContact O-CG2 3.1Å; F211-V215 PolarHBondContact O-N 3.03Å; L212-V215 PolarHBondContact O-N 2.03Å; V215-H217 PolarHBondContact O-N 3.37Å; V215-D218 PolarHBondContact O-N 3.3Å; V215-Y219 HydrophobicContact CB-CD2 3.52Å; V215-Y219 HydrophobicContact CB-CE2 3.93Å; V215-Y219 HydrophobicContact CB-CG 4.35Å; V215-Y219 HydrophobicContact CG1-CD2 4.44Å; V215-Y219 HydrophobicContact CG1-CE2 4.4Å; V215-Y219 HydrophobicContact CG2-CD2 3.73Å; V215-Y219 HydrophobicContact CG2-CE2 4.4Å; V215-Y219 HydrophobicContact CG2-CG 4.05Å; V215-Y219 WeakPolarHBondContact O-CD2 3.42Å; V215-Y219 PolarHBondContact O-N 3.15Å
216R90.3Very high91.4Very high130 Ų13063 Ų6349%0.49131%0.305SS..THydrogen-bonded Turntrans-55-28.6-17269.8-174.1178.7-149.5-6.8115.5L212 R213L212-R216 WeakPolarHBondContact O-CA 3.47Å; L212-R216 WeakPolarHBondContact O-CB 3.3Å; L212-R216 PolarHBondContact O-N 3.08Å; R213-R216 WeakPolarHBondContact O-CD 3.4Å; R213-R216 WeakPolarHBondContact O-CG 3.36Å
217H92.6Very high91.3Very high126 Ų12660 Ų6058%0.58329%0.285SS*.THydrogen-bonded Turntrans-79.9-28.5-178.6-64.8-62.5000111.8K123 V215K123-H217 WeakPolarHBondContact CD-O 3.49Å; K123-H217 WeakPolarHBondContact CE-O 3.41Å; K123-H217 PolarHBondContact NZ-O 3.05Å; V215-H217 PolarHBondContact O-N 3.37Å
218D94.8Very high90.8Very high94 Ų9464.2 Ų64.250%0.50330%0.304SS..THydrogen-bonded Turntrans-101.3-14.7-174.7-58.5-45.7000113.3K122 K123 V215K122-D218 CarbonylContact C-O 3.43Å; K122-D218 WeakPolarHBondContact CA-O 3.37Å; K123-D218 PolarHBondContact N-O 3.1Å; V215-D218 PolarHBondContact O-N 3.3Å
219Y94.4Very high90.5Very high29 Ų2966.5 Ų66.511%0.11432%0.318CS..EExtended strand (participates in β ladder)trans-130155.2-175.3-64.4-105.2000112.5L120 W121 K122 F129 V215L120-Y219 HydrophobicContact CD2-CD1 4.12Å; L120-Y219 HydrophobicContact CD2-CG 4.44Å; L120-Y219 HydrophobicContact CG-CD1 3.98Å; L120-Y219 HydrophobicContact CG-CG 4.36Å; W121-Y219 CarbonylContact O-C 3.03Å; W121-Y219 WeakPolarHBondContact O-CA 3.45Å; W121-Y219 WeakPolarHBondContact O-CB 3.48Å; W121-Y219 WeakPolarHBondContact O-CD1 3.06Å; K122-Y219 HydrophobicContact CB-CD1 3.92Å; K122-Y219 HydrophobicContact CB-CE1 3.55Å; K122-Y219 HydrophobicContact CG-CD1 4.47Å; K122-Y219 HydrophobicContact CG-CE1 4Å; K122-Y219 HydrophobicContact CG-CE2 4.33Å; F129-Y219 AromaticContact CE1-CE1 3.91Å; F129-Y219 HydrophobicContact CE1-CE1 3.91Å; F129-Y219 AromaticContact CE1-CZ 3.82Å; F129-Y219 VanDerWaalsContact CE1-OH 3.31Å; F129-Y219 WeakPolarHBondContact CE1-OH 3.39Å; F129-Y219 HydrophobicContact CE2-CE1 4.23Å; F129-Y219 HydrophobicContact CZ-CD1 4.2Å; F129-Y219 AromaticContact CZ-CE1 3.38Å; F129-Y219 HydrophobicContact CZ-CE1 3.38Å; F129-Y219 AromaticContact CZ-CZ 3.72Å; V215-Y219 HydrophobicContact CB-CD2 3.52Å; V215-Y219 HydrophobicContact CB-CE2 3.93Å; V215-Y219 HydrophobicContact CB-CG 4.35Å; V215-Y219 HydrophobicContact CG1-CD2 4.44Å; V215-Y219 HydrophobicContact CG1-CE2 4.4Å; V215-Y219 HydrophobicContact CG2-CD2 3.73Å; V215-Y219 HydrophobicContact CG2-CE2 4.4Å; V215-Y219 HydrophobicContact CG2-CG 4.05Å; V215-Y219 WeakPolarHBondContact O-CD2 3.42Å; V215-Y219 PolarHBondContact O-N 3.15Å
220E91.1Very high90.3Very high70 Ų7065 Ų6533%0.32731%0.311SS..EExtended strand (participates in β ladder)trans-145.6153177.563-172.5-165.100111.3W121 K123 R222W121-E220 PolarHBondContact N-O 3.38Å; W121-E220 PolarHBondContact O-N 3.3Å; K123-E220 HydrophobicContact CG-CG 4.29Å; E220-R222 HydrophobicContact CG-CG 4.31Å; E220-R222 IonicContact OE1-CZ 3.31Å; E220-R222 IonicContact OE1-NE 3.4Å; E220-R222 PolarHBondContact OE1-NE 2.82Å; E220-R222 IonicContact OE1-NH2 2.84Å; E220-R222 PolarHBondContact OE1-NH2 2.84Å
221W90.2Very high90.1Very high45 Ų4572.4 Ų72.417%0.1734%0.341CS..EExtended strand (participates in β ladder)trans-85.2129.2173.9-72.1106.1000109.8I87 R89 Y118 L120 C201 L212I87-W221 HydrophobicContact CG2-CH2 4.03Å; R89-W221 HydrophobicContact CB-CH2 3.87Å; R89-W221 HydrophobicContact CB-CZ2 4.32Å; R89-W221 HydrophobicContact CB-CZ3 4.12Å; R89-W221 HydrophobicContact CG-CD2 4.09Å; R89-W221 HydrophobicContact CG-CE3 3.81Å; R89-W221 HydrophobicContact CG-CH2 3.77Å; R89-W221 HydrophobicContact CG-CZ2 4.06Å; R89-W221 HydrophobicContact CG-CZ3 3.66Å; Y118-W221 HydrophobicContact CD1-CB 4.29Å; Y118-W221 WeakPolarHBondContact O-CZ3 3.38Å; L120-W221 HydrophobicContact CB-CE3 4.1Å; L120-W221 HydrophobicContact CB-CH2 4.05Å; L120-W221 HydrophobicContact CB-CZ2 4.47Å; L120-W221 HydrophobicContact CB-CZ3 3.82Å; L120-W221 HydrophobicContact CD1-CD2 4.06Å; L120-W221 HydrophobicContact CD1-CE3 4.43Å; L120-W221 HydrophobicContact CD1-CG 4.46Å; L120-W221 HydrophobicContact CD1-CZ2 4.22Å; C201-W221 HydrophobicContact CB-CH2 4.29Å; C201-W221 HydrophobicContact CB-CZ2 4.42Å; L212-W221 HydrophobicContact CD1-CZ2 3.9Å; L212-W221 HydrophobicContact CD2-CZ2 3.77Å; L212-W221 HydrophobicContact CG-CZ2 4.48Å
222R89Confident90Very high100 Ų10076.4 Ų76.438%0.37736%0.36SS..EExtended strand (participates in β ladder)trans-121.7137.8172.1-58.5-174.4178.6-172.5-3.4110.1Y118 V119 W121 E220Y118-R222 CarbonylContact C-O 3.53Å; Y118-R222 WeakPolarHBondContact CA-O 3.16Å; V119-R222 PolarHBondContact N-O 3.46Å; V119-R222 PolarHBondContact O-N 2.88Å; W121-R222 HydrophobicContact CB-CG 4.38Å; W121-R222 HydrophobicContact CG-CB 4.42Å; W121-R222 HydrophobicContact CG-CG 4.1Å; E220-R222 HydrophobicContact CG-CG 4.31Å; E220-R222 IonicContact OE1-CZ 3.31Å; E220-R222 IonicContact OE1-NE 3.4Å; E220-R222 PolarHBondContact OE1-NE 2.82Å; E220-R222 IonicContact OE1-NH2 2.84Å; E220-R222 PolarHBondContact OE1-NH2 2.84Å
223P87.8Confident90Very high69 Ų6975.6 Ų75.645%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-63.1141.3170.929.1-33.2000108.7Q116 Y118Q116-P223 HydrophobicContact CG-CB 3.89Å; Y118-P223 HydrophobicContact CD1-CB 4.26Å; Y118-P223 HydrophobicContact CE1-CB 3.84Å; Y118-P223 HydrophobicContact CE1-CG 4.33Å
224W87.7Confident90.1Very high67 Ų6771.3 Ų71.325%0.25434%0.342SS..  trans-93.5107.8168.5-167.2-59.3000108.8Q116 V117 V119 G226 M227 L233 L237Q116-W224 PolarHBondContact NE2-O 3Å; V117-W224 PolarHBondContact O-N 3.05Å; V119-W224 HydrophobicContact CB-CE3 4.19Å; V119-W224 HydrophobicContact CG1-CE3 4.5Å; V119-W224 HydrophobicContact CG2-CB 4.25Å; V119-W224 HydrophobicContact CG2-CD2 4.35Å; V119-W224 HydrophobicContact CG2-CE3 3.5Å; V119-W224 HydrophobicContact CG2-CZ3 4.21Å; W224-G226 PolarHBondContact O-N 3.02Å; W224-M227 HydrophobicContact CB-CB 4.14Å; W224-M227 HydrophobicContact CB-CG 4.26Å; W224-M227 HydrophobicContact CG-CB 4.2Å; W224-M227 HydrophobicContact CG-CG 3.77Å; W224-M227 PolarHBondContact O-N 3.46Å; W224-L233 HydrophobicContact CD2-CD1 3.97Å; W224-L233 HydrophobicContact CE3-CD1 4.28Å; W224-L233 HydrophobicContact CG-CD1 4.35Å; W224-L233 HydrophobicContact CZ2-CD1 4.34Å; W224-L237 HydrophobicContact CH2-CD2 4.13Å
225E85.6Confident90.1Very high173 Ų17370.3 Ų70.381%0.80835%0.347SS*.THydrogen-bonded Turntrans-52.8132.2-175.1-67.3-179-178.500112.3M227E225-M227 PolarHBondContact O-N 2.99Å
226G85.5Confident90.2Very high49 Ų4972.9 Ų72.951%0.50536%0.359SS..THydrogen-bonded Turntrans72.60.718000000115.9W224W224-G226 PolarHBondContact O-N 3.02Å
227M88.5Confident90.4Very high23 Ų2367 Ų6711%0.11334%0.337CS..  trans-101.1103.8178.3-62.9-63.5138.400111.4Q116 V117 W224 E225 Q232 L233 E236Q116-M227 PolarHBondContact NE2-O 3.05Å; V117-M227 HydrophobicContact CB-CB 4.3Å; V117-M227 HydrophobicContact CG2-CB 4.5Å; V117-M227 PolarHBondContact N-O 3.38Å; W224-M227 HydrophobicContact CB-CB 4.14Å; W224-M227 HydrophobicContact CB-CG 4.26Å; W224-M227 HydrophobicContact CG-CB 4.2Å; W224-M227 HydrophobicContact CG-CG 3.77Å; W224-M227 PolarHBondContact O-N 3.46Å; E225-M227 PolarHBondContact O-N 2.99Å; M227-Q232 HydrophobicContact SD-CB 3.87Å; M227-L233 HydrophobicContact CG-CD1 4.36Å; M227-L233 HydrophobicContact SD-CB 4.5Å; M227-E236 HydrophobicContact CE-CB 3.98Å; M227-E236 HydrophobicContact CE-CG 3.77Å; M227-E236 HydrophobicContact SD-CB 4.13Å
228H84.2Confident90.5Very high92 Ų9264.1 Ų64.143%0.42632%0.321SS..  trans-95.8-23.2-176-60.1-64.9000113.5N115N115-H228 CarbonylContact C-O 3.53Å; N115-H228 HydrophobicContact CB-CB 3.86Å; N115-H228 WeakPolarHBondContact O-CA 3.23Å; N115-H228 VanDerWaalsContact O-CB 3.27Å; N115-H228 WeakPolarHBondContact O-CB 3.35Å; N115-H228 PolarHBondContact O-ND1 2.9Å
229T86.4Confident90.5Very high50 Ų5065.1 Ų65.131%0.30732%0.318SS..SBendtrans-132.7151.8179.364.70000111.1V117 K231 Q232 L233V117-T229 VanDerWaalsContact CG2-C 3.47Å; T229-K231 PolarHBondContact O-N 3.36Å; T229-Q232 PolarHBondContact O-N 2.89Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.39Å; T229-Q232 PolarHBondContact OG1-N 3.45Å; T229-Q232 VanDerWaalsContact OG1-N 3.16Å; T229-Q232 PolarHBondContact OG1-OE1 3.5Å; T229-L233 PolarHBondContact O-N 2.96Å
230V87Confident90.5Very high6 Ų671.2 Ų71.24%0.03634%0.341CS..Hα-helixtrans-60.8-31173.4178.40000110.8V117 V198 R200 L233 L234V117-V230 HydrophobicContact CG2-CG2 4.41Å; V198-V230 HydrophobicContact CG1-CG1 4.42Å; R200-V230 HydrophobicContact CG-CG2 4.44Å; V230-L233 PolarHBondContact O-N 2.65Å; V230-L234 HydrophobicContact CG1-CD1 4.11Å; V230-L234 HydrophobicContact CG1-CG 4.21Å; V230-L234 VanDerWaalsContact O-CG 3.24Å; V230-L234 WeakPolarHBondContact O-CG 3.17Å; V230-L234 PolarHBondContact O-N 3.41Å
231K90.3Very high90.7Very high173 Ų17368.1 Ų68.175%0.75233%0.327SS*.Hα-helixtrans-60.8-45.9175.2-173.9-179.8178.2-177.40112.3T229 L234 A235T229-K231 PolarHBondContact O-N 3.36Å; K231-L234 PolarHBondContact O-N 3.09Å; K231-A235 PolarHBondContact O-N 2.79Å
232Q92Very high90.8Very high85 Ų8568.3 Ų68.340%0.39733%0.331SS..Hα-helixtrans-61.2-45.7175.3-75.6164.7-30.100111M227 T229 L234 A235 E236M227-Q232 HydrophobicContact SD-CB 3.87Å; T229-Q232 PolarHBondContact O-N 2.89Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.39Å; T229-Q232 PolarHBondContact OG1-N 3.45Å; T229-Q232 VanDerWaalsContact OG1-N 3.16Å; T229-Q232 PolarHBondContact OG1-OE1 3.5Å; Q232-L234 PolarHBondContact O-N 3.34Å; Q232-A235 PolarHBondContact O-N 3.46Å; Q232-E236 WeakPolarHBondContact O-CB 3.31Å; Q232-E236 PolarHBondContact O-N 3.45Å
233L92.8Very high91.1Very high0 Ų069.5 Ų69.50%034%0.341CS..Hα-helixtrans-58.8-46.4177.7178.164.5000112L86 V88 V117 V119 W224 M227 T229 V230 A235 E236 L237L86-L233 HydrophobicContact CD2-CD2 4.17Å; V88-L233 HydrophobicContact CG1-CD2 3.74Å; V117-L233 HydrophobicContact CG1-CD2 3.78Å; V119-L233 HydrophobicContact CG2-CD2 4.45Å; W224-L233 HydrophobicContact CD2-CD1 3.97Å; W224-L233 HydrophobicContact CE3-CD1 4.28Å; W224-L233 HydrophobicContact CG-CD1 4.35Å; W224-L233 HydrophobicContact CZ2-CD1 4.34Å; M227-L233 HydrophobicContact CG-CD1 4.36Å; M227-L233 HydrophobicContact SD-CB 4.5Å; T229-L233 PolarHBondContact O-N 2.96Å; V230-L233 PolarHBondContact O-N 2.65Å; L233-A235 VanDerWaalsContact C-N 3.3Å; L233-A235 PolarHBondContact O-N 2.68Å; L233-E236 PolarHBondContact O-N 3.28Å; L233-L237 HydrophobicContact CD1-CD1 4.09Å; L233-L237 HydrophobicContact CD1-CD2 4.35Å; L233-L237 HydrophobicContact CD1-CG 3.92Å; L233-L237 HydrophobicContact CD2-CD1 4.5Å; L233-L237 HydrophobicContact CG-CD1 3.92Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.45Å; L233-L237 PolarHBondContact O-N 2.98Å
234L94.6Very high91.4Very high37 Ų3768.7 Ų68.719%0.19435%0.345CS..Hα-helixtrans-59.9-41.1178.8-67.4167.9000111.9K174 V198 V230 K231 Q232 R238K174-L234 HydrophobicContact CB-CD1 4.2Å; K174-L234 HydrophobicContact CB-CD2 4.13Å; V198-L234 HydrophobicContact CB-CD2 3.79Å; V198-L234 HydrophobicContact CG2-CD2 3.49Å; V198-L234 VanDerWaalsContact CG2-CD2 3.49Å; V230-L234 HydrophobicContact CG1-CD1 4.11Å; V230-L234 HydrophobicContact CG1-CG 4.21Å; V230-L234 VanDerWaalsContact O-CG 3.24Å; V230-L234 WeakPolarHBondContact O-CG 3.17Å; V230-L234 PolarHBondContact O-N 3.41Å; K231-L234 PolarHBondContact O-N 3.09Å; Q232-L234 PolarHBondContact O-N 3.34Å; L234-R238 WeakPolarHBondContact O-CB 3.31Å; L234-R238 PolarHBondContact O-N 2.88Å
235A94.1Very high91.7Very high56 Ų5667.3 Ų67.346%0.46334%0.34SS..Hα-helixtrans-66.8-41.2177.100000112K231 Q232 L233 R238 R239K231-A235 PolarHBondContact O-N 2.79Å; Q232-A235 PolarHBondContact O-N 3.46Å; L233-A235 VanDerWaalsContact C-N 3.3Å; L233-A235 PolarHBondContact O-N 2.68Å; A235-R238 PolarHBondContact O-N 3.36Å; A235-R239 PolarHBondContact O-N 2.86Å; A235-R239 VanDerWaalsContact O-N 3.07Å
236E94.8Very high92.1Very high56 Ų5666.2 Ų66.226%0.26234%0.335SS..Hα-helixtrans-62.6-50.7176.4-168.161.7-146.100111.6M227 Q232 L233 R238 R239 Y240M227-E236 HydrophobicContact CE-CB 3.98Å; M227-E236 HydrophobicContact CE-CG 3.77Å; M227-E236 HydrophobicContact SD-CB 4.13Å; Q232-E236 WeakPolarHBondContact O-CB 3.31Å; Q232-E236 PolarHBondContact O-N 3.45Å; L233-E236 PolarHBondContact O-N 3.28Å; E236-R238 VanDerWaalsContact C-N 3.31Å; E236-R238 PolarHBondContact O-N 2.96Å; E236-R239 WeakPolarHBondContact O-CB 3.35Å; E236-R239 PolarHBondContact O-N 3.23Å; E236-R239 VanDerWaalsContact O-N 3.12Å; E236-R239 IonicContact OE1-CZ 3.88Å; E236-R239 IonicContact OE1-NH1 2.85Å; E236-R239 PolarHBondContact OE1-NH1 2.88Å; E236-R239 IonicContact OE2-CZ 3.15Å; E236-R239 IonicContact OE2-NH1 2.67Å; E236-R239 PolarHBondContact OE2-NH1 3.44Å; E236-R239 IonicContact OE2-NH2 2.8Å; E236-R239 PolarHBondContact OE2-NH2 2.95Å; E236-Y240 WeakPolarHBondContact O-CB 3.23Å; E236-Y240 PolarHBondContact O-N 3.17Å
237L95.7Very high92.4Very high6 Ų664.4 Ų64.43%0.03131%0.314CS..Hα-helixtrans-58.3-42.5178.5-71.4177.9000112.1L86 F128 Y176 V198 W224 L233 Y240 D241L86-L237 HydrophobicContact CD2-CD1 3.76Å; L86-L237 HydrophobicContact CD2-CD2 4.36Å; F128-L237 HydrophobicContact CZ-CD2 3.91Å; Y176-L237 HydrophobicContact CD1-CD1 4.28Å; Y176-L237 HydrophobicContact CD2-CB 3.67Å; Y176-L237 HydrophobicContact CE1-CD1 4.12Å; Y176-L237 HydrophobicContact CE2-CB 3.61Å; Y176-L237 HydrophobicContact CG-CB 4.18Å; V198-L237 HydrophobicContact CG2-CD1 3.68Å; W224-L237 HydrophobicContact CH2-CD2 4.13Å; L233-L237 HydrophobicContact CD1-CD1 4.09Å; L233-L237 HydrophobicContact CD1-CD2 4.35Å; L233-L237 HydrophobicContact CD1-CG 3.92Å; L233-L237 HydrophobicContact CD2-CD1 4.5Å; L233-L237 HydrophobicContact CG-CD1 3.92Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.45Å; L233-L237 PolarHBondContact O-N 2.98Å; L237-Y240 PolarHBondContact O-N 3.3Å; L237-D241 PolarHBondContact O-N 3.35Å
238R94.8Very high92.5Very high67 Ų6765.9 Ų65.925%0.25332%0.324SS..Hα-helixtrans-61.9-45176.2-173.5-175.6-172.7114.2-11.1111.2Y176 I177 L234 A235 E236 D241 I242 C255Y176-R238 HydrophobicContact CD2-CB 4.37Å; Y176-R238 PolarHBondContact O-NH1 3.13Å; I177-R238 HydrophobicContact CB-CG 4.42Å; L234-R238 WeakPolarHBondContact O-CB 3.31Å; L234-R238 PolarHBondContact O-N 2.88Å; A235-R238 PolarHBondContact O-N 3.36Å; E236-R238 VanDerWaalsContact C-N 3.31Å; E236-R238 PolarHBondContact O-N 2.96Å; R238-D241 PolarHBondContact O-N 3.42Å; R238-I242 HydrophobicContact CG-CD1 3.93Å; R238-I242 WeakPolarHBondContact O-CB 3.25Å; R238-I242 VanDerWaalsContact O-CG1 3.29Å; R238-I242 WeakPolarHBondContact O-CG1 3.24Å; R238-I242 PolarHBondContact O-N 3.26Å; R238-C255 PolarHBondContact NH2-O 3.43Å
239R93.8Very high92.7Very high115 Ų11565.8 Ų65.843%0.43433%0.332SS..Hα-helixtrans-62.3-46.3178.8-160-171.5-39.6111.911.7111A235 E236 I242 Q243A235-R239 PolarHBondContact O-N 2.86Å; A235-R239 VanDerWaalsContact O-N 3.07Å; E236-R239 WeakPolarHBondContact O-CB 3.35Å; E236-R239 PolarHBondContact O-N 3.23Å; E236-R239 VanDerWaalsContact O-N 3.12Å; E236-R239 IonicContact OE1-CZ 3.88Å; E236-R239 IonicContact OE1-NH1 2.85Å; E236-R239 PolarHBondContact OE1-NH1 2.88Å; E236-R239 IonicContact OE2-CZ 3.15Å; E236-R239 IonicContact OE2-NH1 2.67Å; E236-R239 PolarHBondContact OE2-NH1 3.44Å; E236-R239 IonicContact OE2-NH2 2.8Å; E236-R239 PolarHBondContact OE2-NH2 2.95Å; R239-I242 PolarHBondContact O-N 3.25Å; R239-Q243 WeakPolarHBondContact O-CG 3.49Å; R239-Q243 PolarHBondContact O-N 3.48Å
240Y94.9Very high92.8Very high156 Ų15668.9 Ų68.961%0.61235%0.346SS*.Hα-helixtrans-59.9-48.6178.2-178.9-90.3000112E236 L237 Q243 G244E236-Y240 WeakPolarHBondContact O-CB 3.23Å; E236-Y240 PolarHBondContact O-N 3.17Å; L237-Y240 PolarHBondContact O-N 3.3Å; Y240-Q243 PolarHBondContact O-N 3.5Å; Y240-G244 PolarHBondContact O-N 3.05Å
241D95.2Very high93.1Very high6 Ų670.6 Ų70.63%0.03235%0.352CS..Hα-helixtrans-67.5-38.2179-92.9-16.7000111.7K84 Y176 I177 N196 L237 R238 Q243 G244 Y245K84-D241 IonicContact NZ-OD1 3.71Å; K84-D241 PolarHBondContact NZ-OD1 3.16Å; K84-D241 IonicContact NZ-OD2 2.68Å; Y176-D241 WeakPolarHBondContact CE2-OD2 3.39Å; Y176-D241 PolarHBondContact OH-OD2 3.48Å; I177-D241 HydrophobicContact CD1-CB 3.98Å; I177-D241 HydrophobicContact CG2-CB 4.32Å; N196-D241 PolarHBondContact ND2-OD2 3.27Å; L237-D241 PolarHBondContact O-N 3.35Å; R238-D241 PolarHBondContact O-N 3.42Å; D241-Q243 VanDerWaalsContact C-N 3.31Å; D241-Q243 PolarHBondContact O-N 3.4Å; D241-G244 PolarHBondContact O-N 2.95Å; D241-Y245 HydrophobicContact CB-CD2 4.18Å; D241-Y245 HydrophobicContact CB-CE2 4.28Å; D241-Y245 WeakPolarHBondContact O-CB 3.35Å; D241-Y245 VanDerWaalsContact O-CD2 3.22Å; D241-Y245 WeakPolarHBondContact O-CD2 3.37Å; D241-Y245 PolarHBondContact O-N 2.94Å
242I93.1Very high93.1Very high49 Ų4962.9 Ų62.925%0.25132%0.32SS..Hα-helixtrans-58-45.4174.8-76.4171.3000110.9I177 R238 R239 H246 V247I177-I242 HydrophobicContact CD1-CG1 3.85Å; R238-I242 HydrophobicContact CG-CD1 3.93Å; R238-I242 WeakPolarHBondContact O-CB 3.25Å; R238-I242 VanDerWaalsContact O-CG1 3.29Å; R238-I242 WeakPolarHBondContact O-CG1 3.24Å; R238-I242 PolarHBondContact O-N 3.26Å; R239-I242 PolarHBondContact O-N 3.25Å; I242-H246 PolarHBondContact O-N 3.39Å; I242-V247 HydrophobicContact CG2-CB 4.41Å; I242-V247 PolarHBondContact O-N 3.48Å
243Q93.9Very high93.1Very high125 Ų12558.9 Ų58.958%0.58430%0.301SS*.Hα-helixtrans-68.9-47.9177.9-71.3174.9-10.900111.5R239 Y240 D241 Y245 H246R239-Q243 WeakPolarHBondContact O-CG 3.49Å; R239-Q243 PolarHBondContact O-N 3.48Å; Y240-Q243 PolarHBondContact O-N 3.5Å; D241-Q243 VanDerWaalsContact C-N 3.31Å; D241-Q243 PolarHBondContact O-N 3.4Å; Q243-Y245 VanDerWaalsContact C-N 3.33Å; Q243-Y245 PolarHBondContact O-N 2.9Å; Q243-H246 PolarHBondContact O-N 3.2Å
244G94Very high92.9Very high51 Ų5162.7 Ų62.753%0.52632%0.317SS..Hα-helixtrans-65.5-32-175.700000113.9Y240 D241Y240-G244 PolarHBondContact O-N 3.05Å; D241-G244 PolarHBondContact O-N 2.95Å
245Y93.6Very high92.1Very high39 Ų3961.2 Ų61.215%0.15331%0.309CS..THydrogen-bonded Turntrans-88.5-4.2172.6-73-66.6000113.6K84 V181 P182 I194 D241 Q243 V247K84-Y245 VanDerWaalsContact CE-OH 3.24Å; K84-Y245 WeakPolarHBondContact CE-OH 3.38Å; K84-Y245 PolarHBondContact NZ-OH 3.42Å; V181-Y245 HydrophobicContact CB-CD1 4.21Å; V181-Y245 HydrophobicContact CB-CG 4.12Å; V181-Y245 HydrophobicContact CG1-CD2 4.16Å; V181-Y245 HydrophobicContact CG1-CG 4.14Å; V181-Y245 HydrophobicContact CG2-CD1 4.04Å; V181-Y245 HydrophobicContact CG2-CE1 4.18Å; V181-Y245 HydrophobicContact CG2-CG 4.37Å; P182-Y245 VanDerWaalsContact CG-O 3.26Å; P182-Y245 WeakPolarHBondContact CG-O 3.39Å; I194-Y245 HydrophobicContact CD1-CD2 4.15Å; I194-Y245 HydrophobicContact CD1-CE2 3.77Å; D241-Y245 HydrophobicContact CB-CD2 4.18Å; D241-Y245 HydrophobicContact CB-CE2 4.28Å; D241-Y245 WeakPolarHBondContact O-CB 3.35Å; D241-Y245 VanDerWaalsContact O-CD2 3.22Å; D241-Y245 WeakPolarHBondContact O-CD2 3.37Å; D241-Y245 PolarHBondContact O-N 2.94Å; Q243-Y245 VanDerWaalsContact C-N 3.33Å; Q243-Y245 PolarHBondContact O-N 2.9Å; Y245-V247 VanDerWaalsContact C-N 3.29Å; Y245-V247 PolarHBondContact O-N 3.22Å
246H94.3Very high90.7Very high150 Ų15064.2 Ų64.269%0.69432%0.315SS*.THydrogen-bonded Turntrans52.745.4-172.3-55.7-76.8000112.8I242 Q243 T248I242-H246 PolarHBondContact O-N 3.39Å; Q243-H246 PolarHBondContact O-N 3.2Å; H246-T248 PolarHBondContact O-N 3.11Å
247V92.2Very high89Confident11 Ų1166.3 Ų66.37%0.06733%0.334CS..  trans-65.7118-171.7-174.20000110.8V181 I242 Y245 A253 Y254V181-V247 HydrophobicContact CG1-CG2 4.09Å; I242-V247 HydrophobicContact CG2-CB 4.41Å; I242-V247 PolarHBondContact O-N 3.48Å; Y245-V247 VanDerWaalsContact C-N 3.29Å; Y245-V247 PolarHBondContact O-N 3.22Å; V247-A253 HydrophobicContact CG1-CB 3.92Å; V247-A253 HydrophobicContact CG2-CB 4.49Å; V247-Y254 VanDerWaalsContact CG1-N 3.32Å
248T90.5Very high86.8Confident54 Ų5479.4 Ų79.433%0.33139%0.39SS..  trans-100.9164.7176.370.50000111.6H246 D250 Y251 Y254H246-T248 PolarHBondContact O-N 3.11Å; T248-D250 PolarHBondContact O-N 3.06Å; T248-D250 PolarHBondContact OG1-OD2 2.88Å; T248-Y251 PolarHBondContact O-N 3.33Å; T248-Y251 WeakPolarHBondContact OG1-CD2 3.5Å; T248-Y254 VanDerWaalsContact O-CB 3.22Å; T248-Y254 WeakPolarHBondContact O-CB 3.48Å
249P89Confident86.4Confident90 Ų9080 Ų8058%0.58440%0.397SS*.THydrogen-bonded Turntrans-55.1-18.5178.7-26.234000116.6Y251 Y254P249-Y251 PolarHBondContact O-N 3.28Å; P249-Y254 VanDerWaalsContact CA-CD1 3.48Å; P249-Y254 HydrophobicContact CB-CD1 3.87Å; P249-Y254 HydrophobicContact CB-CE1 3.94Å; P249-Y254 HydrophobicContact CB-CG 4.43Å; P249-Y254 HydrophobicContact CG-CD1 3.98Å; P249-Y254 HydrophobicContact CG-CE1 3.64Å; P249-Y254 HydrophobicContact CG-CE2 4.29Å; P249-Y254 HydrophobicContact CG-CG 4.4Å
250D88.6Confident86Confident114 Ų11478.2 Ų78.261%0.6140%0.395SS*.THydrogen-bonded Turntrans-71.4-20.1176.9-52.6-56.6000112.7T248T248-D250 PolarHBondContact O-N 3.06Å; T248-D250 PolarHBondContact OG1-OD2 2.88Å
251Y92Very high85.5Confident42 Ų4273.8 Ų73.817%0.16538%0.383CS..SBendtrans-100.9136.4-176.8-71.6-82.9000111A63 S180 V181 P182 T248 P249 A253 Y254A63-Y251 HydrophobicContact CB-CD1 3.96Å; A63-Y251 HydrophobicContact CB-CE1 3.68Å; S180-Y251 WeakPolarHBondContact O-CB 3.44Å; V181-Y251 WeakPolarHBondContact O-CE1 3.4Å; P182-Y251 HydrophobicContact CB-CE1 4.47Å; P182-Y251 HydrophobicContact CB-CE2 4.04Å; P182-Y251 HydrophobicContact CG-CD1 4.45Å; P182-Y251 HydrophobicContact CG-CD2 3.64Å; P182-Y251 HydrophobicContact CG-CE1 4.34Å; P182-Y251 HydrophobicContact CG-CE2 3.51Å; P182-Y251 HydrophobicContact CG-CG 4.11Å; T248-Y251 PolarHBondContact O-N 3.33Å; T248-Y251 WeakPolarHBondContact OG1-CD2 3.5Å; P249-Y251 PolarHBondContact O-N 3.28Å; Y251-A253 PolarHBondContact O-N 3.29Å; Y251-A253 VanDerWaalsContact O-N 3.17Å; Y251-Y254 WeakPolarHBondContact O-CA 3.38Å; Y251-Y254 WeakPolarHBondContact O-CB 3.17Å; Y251-Y254 PolarHBondContact O-N 3.06Å
252S91.9Very high84.9Confident12 Ų1277.8 Ų77.88%0.08440%0.404CS..THydrogen-bonded Turntrans-72.9-12.5-17372.60000114G179 S180 Y254G179-S252 VanDerWaalsContact CA-OG 3.27Å; G179-S252 WeakPolarHBondContact CA-OG 3.3Å; S180-S252 PolarHBondContact N-OG 3.39Å; S180-S252 PolarHBondContact OG-N 3.25Å; S180-S252 PolarHBondContact OG-OG 3.29Å; S252-Y254 PolarHBondContact O-N 3.16Å
253A91.9Very high84.4Confident0 Ų079.6 Ų79.60%041%0.413CS..THydrogen-bonded Turntrans-68.3-19.616700000112.5I177 S178 S180 V181 V247 Y251 C255I177-A253 HydrophobicContact CD1-CB 4.49Å; I177-A253 HydrophobicContact CG1-CB 4.45Å; S178-A253 WeakPolarHBondContact O-CA 3.36Å; S180-A253 WeakPolarHBondContact O-CB 3.33Å; S180-A253 PolarHBondContact O-N 3.01Å; S180-A253 VanDerWaalsContact O-N 3.11Å; V181-A253 HydrophobicContact CG1-CB 3.64Å; V247-A253 HydrophobicContact CG1-CB 3.92Å; V247-A253 HydrophobicContact CG2-CB 4.49Å; Y251-A253 PolarHBondContact O-N 3.29Å; Y251-A253 VanDerWaalsContact O-N 3.17Å; A253-C255 PolarHBondContact O-N 3.02Å
254Y87.5Confident83.8Confident81 Ų8176.6 Ų76.632%0.31840%0.402SS..  trans-72.671.1165.6-163.7-96.5000109.1V247 T248 P249 Y251 S252 M256V247-Y254 VanDerWaalsContact CG1-N 3.32Å; T248-Y254 VanDerWaalsContact O-CB 3.22Å; T248-Y254 WeakPolarHBondContact O-CB 3.48Å; P249-Y254 VanDerWaalsContact CA-CD1 3.48Å; P249-Y254 HydrophobicContact CB-CD1 3.87Å; P249-Y254 HydrophobicContact CB-CE1 3.94Å; P249-Y254 HydrophobicContact CB-CG 4.43Å; P249-Y254 HydrophobicContact CG-CD1 3.98Å; P249-Y254 HydrophobicContact CG-CE1 3.64Å; P249-Y254 HydrophobicContact CG-CE2 4.29Å; P249-Y254 HydrophobicContact CG-CG 4.4Å; Y251-Y254 WeakPolarHBondContact O-CA 3.38Å; Y251-Y254 WeakPolarHBondContact O-CB 3.17Å; Y251-Y254 PolarHBondContact O-N 3.06Å; S252-Y254 PolarHBondContact O-N 3.16Å; Y254-M256 HydrophobicContact CE1-CE 3.67Å; Y254-M256 HydrophobicContact CE1-CG 4.29Å; Y254-M256 HydrophobicContact CE1-SD 4.43Å; Y254-M256 WeakPolarHBondContact OH-CE 3.45Å
255C78.1Confident83Confident6 Ų678.4 Ų78.44%0.04139%0.393CS..  trans-108.796.6174.6179.50000107.9C47 R238 A253 P257C47-C255 HydrophobicContact CB-CB 3.64Å; C47-C255 WeakPolarHBondContact CB-SG 3.29Å; C47-C255 PolarHBondContact N-SG 2.9Å; C47-C255 VanDerWaalsContact SG-C 3.51Å; C47-C255 WeakPolarHBondContact SG-CA 3.32Å; C47-C255 WeakPolarHBondContact SG-CB 3.36Å; C47-C255 CovalentContact SG-SG 2.05Å; C47-C255 PolarHBondContact SG-SG 3.4Å; R238-C255 PolarHBondContact NH2-O 3.43Å; A253-C255 PolarHBondContact O-N 3.02Å; C255-P257 WeakPolarHBondContact O-CD 3.45Å
256M65.4Low82.2Confident119 Ų11981.5 Ų81.559%0.58641%0.411SS*.  trans-91112.4166.8-62.7-160.8-64.100106.9Y254 K258Y254-M256 HydrophobicContact CE1-CE 3.67Å; Y254-M256 HydrophobicContact CE1-CG 4.29Å; Y254-M256 HydrophobicContact CE1-SD 4.43Å; Y254-M256 WeakPolarHBondContact OH-CE 3.45Å; M256-K258 PolarHBondContact O-N 3.34Å
257P58.7Low81.2Confident100 Ų10075.8 Ų75.865%0.64939%0.388SS*.  trans-56.5129.3166.619.7-24.4000107.7C255C255-P257 WeakPolarHBondContact O-CD 3.45Å
258K48.7Very low80.2Confident280 Ų28081.6 Ų81.6100%1.21742%0.417SS*.  trans-640174.3-71.2-172.1178.5-177.20110.9M256M256-K258 PolarHBondContact O-N 3.34Å

Retrieved 258 of 258 residues in 353.9 ms (Link to these results)

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