A0A093HVZ2_STRCA Loading...

Fibroblast growth factor receptor substrate 3

AlphaFold DB , UniProt , Accession A0A093HVZ2, Species STRCA (Struthio camelus australis), Gene n/a, Length 504 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.3Very low41.1Very low246 Ų246138.6 Ų138.6100%1.21283%0.83SS**  0127.10-66.6133.876.400107.5
2G41.1Very low42.7Very low82 Ų82135.1 Ų135.185%0.84582%0.816SS**  trans-92.5119.7177.500000110.2
3S40.9Very low44.3Very low115 Ų115129 Ų12980%0.80478%0.78SS**  trans-88.9112.9167-168.20000108.2C5S3-C5 PolarHBondContact O-N 3.44Å
4C35.6Very low46.1Very low114 Ų114125.4 Ų125.477%0.7776%0.761SS**  trans-79.5105.3175.348.60000109.5S6C4-S6 PolarHBondContact O-N 3.03Å
5C37.9Very low47.4Very low126 Ų126123.2 Ų123.285%0.85174%0.743SS**  trans-66.496.8167.3-68.10000109.3S3 C7S3-C5 PolarHBondContact O-N 3.44Å; C5-C7 PolarHBondContact O-N 3.27Å
6S38.7Very low49.1Very low103 Ų103123.7 Ų123.772%0.7274%0.74SS**  trans-51.5128.1169.4-54.40000109.8C4 L8C4-S6 PolarHBondContact O-N 3.03Å; S6-L8 PolarHBondContact O-N 3.04Å
7C35.8Very low51.2Low102 Ų102119.5 Ų119.569%0.68971%0.711SS**  trans-59125.3174.150.30000110.3C5 C9C5-C7 PolarHBondContact O-N 3.27Å; C7-C9 HydrophobicContact CB-CB 4.46Å; C7-C9 PolarHBondContact O-N 3.4Å
8L42.1Very low53.1Low178 Ų178117.9 Ų117.993%0.93270%0.704SS**  trans-73.642.2174.4-69.5171.9000112.1S6 R10S6-L8 PolarHBondContact O-N 3.04Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.76Å; L8-R10 VanDerWaalsContact O-N 3.14Å
9C47.7Very low55.1Low105 Ų105114.2 Ų114.271%0.70968%0.683SS**  trans-88.667.8-180-660000110.8C7C7-C9 HydrophobicContact CB-CB 4.46Å; C7-C9 PolarHBondContact O-N 3.4Å
10R44.9Very low57Low191 Ų191111 Ų11172%0.72166%0.659SS**  trans-17296.3156.8-111.1166.2-177.1-168.5-1112L8 S12L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.76Å; L8-R10 VanDerWaalsContact O-N 3.14Å; R10-S12 PolarHBondContact O-N 3.15Å; R10-S12 PolarHBondContact O-OG 3.2Å
11D45.1Very low58.7Low163 Ų163105.8 Ų105.887%0.87263%0.628SS**  trans-60.387.3154.4-74.8-71.4000108.8V13D11-V13 PolarHBondContact O-N 3.44Å
12S60.1Low61.2Low96 Ų96100.3 Ų100.367%0.67160%0.598SS**  trans-79.980.6-178.7-57.90000107.4R10 P14R10-S12 PolarHBondContact O-N 3.15Å; R10-S12 PolarHBondContact O-OG 3.2Å; S12-P14 VanDerWaalsContact O-N 3.09Å
13V63.8Low63.7Low56 Ų5696.5 Ų96.534%0.33956%0.558SS.*  trans-45.5119.7174.2177.80000107.5D11 D15 H17 K20D11-V13 PolarHBondContact O-N 3.44Å; V13-D15 PolarHBondContact O-N 3.3Å; V13-H17 HydrophobicContact CG1-CB 3.86Å; V13-K20 HydrophobicContact CG1-CB 3.8Å; V13-K20 HydrophobicContact CG1-CD 3.92Å; V13-K20 HydrophobicContact CG2-CD 4.35Å
14P69Low66.3Low79 Ų7992.2 Ų92.251%0.51353%0.527SS..  trans-61.7138.9-174.823.8-32.4000109.1S12 N16 H17S12-P14 VanDerWaalsContact O-N 3.09Å; P14-N16 PolarHBondContact O-N 3.03Å; P14-H17 HydrophobicContact CG-CB 4.21Å; P14-H17 WeakPolarHBondContact O-CB 3.28Å; P14-H17 PolarHBondContact O-N 3.28Å
15D65.6Low69.1Low92 Ų9288.6 Ų88.649%0.49250%0.5SS..THydrogen-bonded Turntrans-58.2-22.6-173.4-15160000112.4V13 R93V13-D15 PolarHBondContact O-N 3.3Å; D15-R93 PolarHBondContact O-NH1 3.25Å
16N74.8Confident71.8Confident131 Ų13183.4 Ų83.470%0.70146%0.464SS*.THydrogen-bonded Turntrans-103.232.8174.7-72.2-91.8000113.6P14P14-N16 PolarHBondContact O-N 3.03Å
17H85Confident74.3Confident52 Ų5280.4 Ų80.424%0.24144%0.44CS..  trans-67.7135.7170.6-168.8-89.1000110V13 P14 T19 K20 R93V13-H17 HydrophobicContact CG1-CB 3.86Å; P14-H17 HydrophobicContact CG-CB 4.21Å; P14-H17 WeakPolarHBondContact O-CB 3.28Å; P14-H17 PolarHBondContact O-N 3.28Å; H17-T19 VanDerWaalsContact C-N 3.34Å; H17-T19 PolarHBondContact CE1-OG1 3.25Å; H17-T19 VanDerWaalsContact CE1-OG1 3.25Å; H17-T19 PolarHBondContact ND1-N 2.95Å; H17-T19 PolarHBondContact O-N 3.46Å; H17-K20 HydrophobicContact CB-CB 4Å; H17-K20 VanDerWaalsContact ND1-CB 3.34Å; H17-K20 WeakPolarHBondContact ND1-CB 3.31Å; H17-K20 WeakPolarHBondContact ND1-CG 3.27Å; H17-K20 PolarHBondContact ND1-N 2.99Å; H17-K20 VanDerWaalsContact ND1-N 3.15Å; H17-K20 VanDerWaalsContact O-O 3.1Å; H17-R93 PolarHBondContact O-NH1 2.83Å; H17-R93 PolarHBondContact O-NH2 3.09Å
18P86.3Confident76.8Confident92 Ų9282.4 Ų82.460%0.59744%0.444SS*.SBendtrans-71.1-25.2-170.926.2-35.6000114.1F21 L100P18-F21 WeakPolarHBondContact O-CZ 3.43Å; P18-L100 WeakPolarHBondContact O-CD2 3.33Å
19T90.2Very high79.1Confident47 Ų4781.3 Ų81.329%0.28843%0.434SS..SBendtrans-122.56.5-179.266.50000114H17 E39 L40 L100H17-T19 VanDerWaalsContact C-N 3.34Å; H17-T19 PolarHBondContact CE1-OG1 3.25Å; H17-T19 VanDerWaalsContact CE1-OG1 3.25Å; H17-T19 PolarHBondContact ND1-N 2.95Å; H17-T19 PolarHBondContact O-N 3.46Å; T19-E39 WeakPolarHBondContact O-CA 3.39Å; T19-L40 WeakPolarHBondContact CB-O 3.34Å; T19-L40 PolarHBondContact O-N 3.15Å; T19-L100 HydrophobicContact CG2-CD2 4.14Å
20K93.2Very high80.8Confident49 Ų4978.4 Ų78.421%0.21342%0.422CS..EExtended strand (participates in β ladder)trans-131.9129.1-179.8-63.5173.5-168.2-101.30109V13 H17 I37 M38 E39 R93V13-K20 HydrophobicContact CG1-CB 3.8Å; V13-K20 HydrophobicContact CG1-CD 3.92Å; V13-K20 HydrophobicContact CG2-CD 4.35Å; H17-K20 HydrophobicContact CB-CB 4Å; H17-K20 VanDerWaalsContact ND1-CB 3.34Å; H17-K20 WeakPolarHBondContact ND1-CB 3.31Å; H17-K20 WeakPolarHBondContact ND1-CG 3.27Å; H17-K20 PolarHBondContact ND1-N 2.99Å; H17-K20 VanDerWaalsContact ND1-N 3.15Å; H17-K20 VanDerWaalsContact O-O 3.1Å; K20-I37 HydrophobicContact CB-CG2 3.86Å; K20-I37 HydrophobicContact CG-CG2 4.44Å; K20-M38 CarbonylContact C-O 3.59Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.39Å; K20-E39 WeakPolarHBondContact CE-OE1 3.14Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.96Å; K20-E39 IonicContact NZ-OE1 3.62Å; K20-E39 PolarHBondContact NZ-OE1 3.46Å; K20-E39 IonicContact NZ-OE2 3.36Å; K20-E39 PolarHBondContact NZ-OE2 2.86Å; K20-R93 PolarHBondContact O-NH1 3.47Å
21F93.7Very high82.9Confident2 Ų273.7 Ų73.71%0.00941%0.411CS..EExtended strand (participates in β ladder)trans-132.8134.5-168.6-55.7-94.5000109.2P18 V23 I37 M38 L40 R93 E96 I97 L100P18-F21 WeakPolarHBondContact O-CZ 3.43Å; F21-V23 PolarHBondContact O-N 3.43Å; F21-I37 CarbonylContact O-C 3.59Å; F21-I37 WeakPolarHBondContact O-CA 3.46Å; F21-M38 PolarHBondContact N-O 2.85Å; F21-M38 PolarHBondContact O-N 2.86Å; F21-L40 HydrophobicContact CD2-CD1 4.06Å; F21-L40 HydrophobicContact CE2-CD1 4.06Å; F21-R93 HydrophobicContact CD1-CB 3.81Å; F21-R93 VanDerWaalsContact CD1-CZ 3.49Å; F21-R93 HydrophobicContact CE1-CB 4.29Å; F21-R93 VanDerWaalsContact CE1-CZ 3.45Å; F21-E96 HydrophobicContact CE1-CB 3.66Å; F21-E96 HydrophobicContact CZ-CB 4.24Å; F21-I97 HydrophobicContact CB-CD1 3.74Å; F21-I97 HydrophobicContact CB-CG1 3.92Å; F21-I97 HydrophobicContact CD1-CD1 4.29Å; F21-I97 HydrophobicContact CD1-CG1 3.66Å; F21-I97 HydrophobicContact CD2-CD1 4.34Å; F21-I97 HydrophobicContact CD2-CG1 3.64Å; F21-I97 HydrophobicContact CE1-CG1 4.02Å; F21-I97 HydrophobicContact CE2-CG1 4.01Å; F21-I97 HydrophobicContact CG-CD1 3.88Å; F21-I97 HydrophobicContact CG-CG1 3.45Å; F21-I97 VanDerWaalsContact CG-CG1 3.45Å; F21-I97 HydrophobicContact CZ-CG1 4.19Å; F21-L100 HydrophobicContact CE2-CD2 4.03Å; F21-L100 HydrophobicContact CZ-CD2 4.14Å
22K93.8Very high85.2Confident132 Ų13271.3 Ų71.357%0.57440%0.395SS*.EExtended strand (participates in β ladder)trans-78122.8176.6-176.5-178.1172.1-168.20109.3I37 C91K22-I37 HydrophobicContact CB-CD1 4.19Å; K22-I37 HydrophobicContact CG-CD1 4.41Å; K22-C91 PolarHBondContact O-SG 3.38Å
23V94.5Very high86.5Confident2 Ų272.1 Ų72.11%0.01239%0.391CS..EExtended strand (participates in β ladder)trans-129.9151.7-174.8-59.10000111.7F21 S35 G36 M38 L47 F89 K90 C91 I97F21-V23 PolarHBondContact O-N 3.43Å; V23-S35 CarbonylContact O-C 3.55Å; V23-S35 WeakPolarHBondContact O-CA 3.4Å; V23-G36 PolarHBondContact N-O 3.04Å; V23-G36 PolarHBondContact O-N 3.17Å; V23-G36 VanDerWaalsContact O-O 3.12Å; V23-M38 HydrophobicContact CG1-CB 3.66Å; V23-M38 HydrophobicContact CG2-CB 3.98Å; V23-L47 HydrophobicContact CG2-CD1 3.55Å; V23-F89 HydrophobicContact CB-CB 4.18Å; V23-F89 HydrophobicContact CB-CD1 4.12Å; V23-F89 HydrophobicContact CG1-CB 4.42Å; V23-F89 HydrophobicContact CG2-CD1 3.84Å; V23-F89 HydrophobicContact CG2-CE1 4.41Å; V23-K90 WeakPolarHBondContact CA-O 3.2Å; V23-C91 HydrophobicContact CG1-CB 4.01Å; V23-I97 HydrophobicContact CG1-CD1 4.22Å
24T94.9Very high87.7Confident25 Ų2571.1 Ų71.115%0.15339%0.392CS..EExtended strand (participates in β ladder)trans-118.3121.3167.1-61.30000109.5E32 F89 K90T24-E32 HydrophobicContact CG2-CB 3.59Å; T24-E32 HydrophobicContact CG2-CG 3.63Å; T24-F89 CarbonylContact O-C 3.5Å; T24-F89 WeakPolarHBondContact O-CA 3.22Å; T24-K90 PolarHBondContact N-O 3.18Å; T24-K90 PolarHBondContact O-N 3.05Å
25N93.9Very high88.8Confident38 Ų3871 Ų7120%0.20339%0.393CS..EExtended strand (participates in β ladder)trans-67.8134.7174.3-174.5-59.8000109.3L33 G34 F89N25-L33 PolarHBondContact O-N 3.41Å; N25-L33 WeakPolarHBondContact OD1-CD1 3.5Å; N25-G34 PolarHBondContact N-O 2.89Å; N25-F89 HydrophobicContact CB-CD1 4.12Å; N25-F89 HydrophobicContact CB-CE1 3.83Å
26V94.1Very high90.1Very high17 Ų1767.1 Ų67.110%0.10338%0.375CS..EExtended strand (participates in β ladder)trans-124.8150.6178.6-63.20000112.1N31 E32 L71 A88 K90V26-N31 WeakPolarHBondContact CA-O 3.49Å; V26-E32 HydrophobicContact CG1-CG 4.33Å; V26-L71 HydrophobicContact CG2-CD1 3.98Å; V26-A88 HydrophobicContact CG2-CB 3.7Å; V26-A88 PolarHBondContact N-O 3.36Å; V26-A88 VanDerWaalsContact N-O 3.13Å; V26-K90 HydrophobicContact CG1-CB 4.19Å
27D91.6Very high91Very high39 Ų3963.1 Ų63.121%0.20935%0.353CS..  trans-81.9180172.357.631.2000112.9E29 G30 N31 L33D27-E29 PolarHBondContact O-N 3.33Å; D27-E29 WeakPolarHBondContact OD1-CA 3.3Å; D27-E29 PolarHBondContact OD1-N 3.46Å; D27-E29 VanDerWaalsContact OD1-N 3.16Å; D27-G30 PolarHBondContact O-N 3.16Å; D27-G30 PolarHBondContact OD1-N 2.84Å; D27-N31 PolarHBondContact N-O 3.46Å; D27-N31 PolarHBondContact OD1-N 2.9Å; D27-N31 PolarHBondContact OD1-ND2 2.88Å; D27-N31 VanDerWaalsContact OD1-ND2 3.08Å; D27-N31 WeakPolarHBondContact OD2-CB 3.29Å; D27-N31 PolarHBondContact OD2-ND2 2.95Å; D27-L33 HydrophobicContact CB-CD1 4.03Å; D27-L33 HydrophobicContact CB-CD2 4.23Å; D27-L33 HydrophobicContact CB-CG 4.16Å
28D89.8Confident91.5Very high144 Ų14460.7 Ų60.777%0.7734%0.342SS*.THydrogen-bonded Turntrans-63.8-20179.4-68.3-67.7000113.5
29E88.9Confident92Very high155 Ų15557.9 Ų57.972%0.72432%0.321SS*.THydrogen-bonded Turntrans-89.5-13.8172.9-64.683.2-129.500113.2D27D27-E29 PolarHBondContact O-N 3.33Å; D27-E29 WeakPolarHBondContact OD1-CA 3.3Å; D27-E29 PolarHBondContact OD1-N 3.46Å; D27-E29 VanDerWaalsContact OD1-N 3.16Å
30G83.6Confident92.2Very high44 Ų4455.9 Ų55.945%0.45431%0.308SS..  trans93.49.2179.500000115.6D27D27-G30 PolarHBondContact O-N 3.16Å; D27-G30 PolarHBondContact OD1-N 2.84Å
31N89.9Confident92.2Very high92 Ų9255.2 Ų55.249%0.49231%0.308SS..  trans-74.4147.1178.2-43.8-76.9000111.6V26 D27 L33V26-N31 WeakPolarHBondContact CA-O 3.49Å; D27-N31 PolarHBondContact N-O 3.46Å; D27-N31 PolarHBondContact OD1-N 2.9Å; D27-N31 PolarHBondContact OD1-ND2 2.88Å; D27-N31 VanDerWaalsContact OD1-ND2 3.08Å; D27-N31 WeakPolarHBondContact OD2-CB 3.29Å; D27-N31 PolarHBondContact OD2-ND2 2.95Å; N31-L33 PolarHBondContact O-N 2.83Å; N31-L33 VanDerWaalsContact O-N 3.13Å
32E92.3Very high92Very high113 Ų11360.1 Ų60.153%0.52833%0.331SS..EExtended strand (participates in β ladder)trans-80.595.4-175.7-67-170.1-171.600112.5T24 V26 G34 K90T24-E32 HydrophobicContact CG2-CB 3.59Å; T24-E32 HydrophobicContact CG2-CG 3.63Å; V26-E32 HydrophobicContact CG1-CG 4.33Å; E32-G34 VanDerWaalsContact C-N 3.34Å; E32-G34 PolarHBondContact O-N 2.86Å; E32-K90 WeakPolarHBondContact OE1-CD 3.12Å; E32-K90 WeakPolarHBondContact OE1-CE 3.4Å; E32-K90 IonicContact OE1-NZ 2.7Å; E32-K90 PolarHBondContact OE1-NZ 2.93Å
33L87.8Confident91.8Very high113 Ų11358.3 Ų58.359%0.59233%0.332SS*.EExtended strand (participates in β ladder)trans-69.5-27.1-180-63.5-174.7000113.7N25 D27 N31N25-L33 PolarHBondContact O-N 3.41Å; N25-L33 WeakPolarHBondContact OD1-CD1 3.5Å; D27-L33 HydrophobicContact CB-CD1 4.03Å; D27-L33 HydrophobicContact CB-CD2 4.23Å; D27-L33 HydrophobicContact CB-CG 4.16Å; N31-L33 PolarHBondContact O-N 2.83Å; N31-L33 VanDerWaalsContact O-N 3.13Å
34G89.5Confident91.8Very high36 Ų3660.1 Ų60.137%0.37134%0.34SS..EExtended strand (participates in β ladder)trans159.9152.6173.500000114.7N25 E32N25-G34 PolarHBondContact N-O 2.89Å; E32-G34 VanDerWaalsContact C-N 3.34Å; E32-G34 PolarHBondContact O-N 2.86Å
35S92.2Very high91.8Very high76 Ų7658.9 Ų58.953%0.53133%0.332SS..EExtended strand (participates in β ladder)trans-93.8153.1-17952.60000113.9V23V23-S35 CarbonylContact O-C 3.55Å; V23-S35 WeakPolarHBondContact O-CA 3.4Å
36G92.6Very high91.8Very high11 Ų1157.5 Ų57.511%0.11333%0.325CS..EExtended strand (participates in β ladder)trans-161.7-173.9179.800000112.1V23 H48V23-G36 PolarHBondContact N-O 3.04Å; V23-G36 PolarHBondContact O-N 3.17Å; V23-G36 VanDerWaalsContact O-O 3.12Å; G36-H48 CarbonylContact C-O 3.55Å; G36-H48 WeakPolarHBondContact CA-O 3.5Å
37I94.1Very high91.9Very high47 Ų4757.2 Ų57.224%0.24132%0.323CS..EExtended strand (participates in β ladder)trans-114120.6172.6-55.1-60.4000108.1K20 F21 K22 H48K20-I37 HydrophobicContact CB-CG2 3.86Å; K20-I37 HydrophobicContact CG-CG2 4.44Å; F21-I37 CarbonylContact O-C 3.59Å; F21-I37 WeakPolarHBondContact O-CA 3.46Å; K22-I37 HydrophobicContact CB-CD1 4.19Å; K22-I37 HydrophobicContact CG-CD1 4.41Å; I37-H48 HydrophobicContact CB-CB 4.4Å; I37-H48 PolarHBondContact N-O 2.96Å; I37-H48 PolarHBondContact O-N 3.46Å
38M95.5Very high91.9Very high0 Ų058.7 Ų58.70%033%0.328CS..EExtended strand (participates in β ladder)trans-84.1129.5168.3-167.56779.800108.9K20 F21 V23 L40 L45 I46 L47 W57 F74 F89K20-M38 CarbonylContact C-O 3.59Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.39Å; F21-M38 PolarHBondContact N-O 2.85Å; F21-M38 PolarHBondContact O-N 2.86Å; V23-M38 HydrophobicContact CG1-CB 3.66Å; V23-M38 HydrophobicContact CG2-CB 3.98Å; M38-L40 HydrophobicContact CG-CD1 4.06Å; M38-L45 HydrophobicContact CE-CD2 4.41Å; M38-L45 HydrophobicContact CG-CD1 3.69Å; M38-L45 HydrophobicContact CG-CG 4.34Å; M38-L45 HydrophobicContact SD-CD1 3.63Å; M38-L45 HydrophobicContact SD-CD2 4.02Å; M38-L45 HydrophobicContact SD-CG 3.59Å; M38-L45 VanDerWaalsContact SD-CG 3.59Å; M38-I46 CarbonylContact C-O 3.54Å; M38-I46 WeakPolarHBondContact CA-O 3.37Å; M38-L47 HydrophobicContact CE-CB 4.38Å; M38-L47 HydrophobicContact CE-CD1 4.25Å; M38-L47 HydrophobicContact SD-CB 4.14Å; M38-W57 HydrophobicContact CE-CZ3 4.34Å; M38-W57 HydrophobicContact SD-CZ3 4.25Å; M38-F74 HydrophobicContact CE-CE1 4.2Å; M38-F89 HydrophobicContact CE-CD1 4.07Å; M38-F89 HydrophobicContact CE-CD2 3.61Å; M38-F89 HydrophobicContact CE-CE1 3.96Å; M38-F89 HydrophobicContact CE-CE2 3.48Å; M38-F89 VanDerWaalsContact CE-CE2 3.48Å; M38-F89 HydrophobicContact CE-CG 3.91Å; M38-F89 HydrophobicContact CE-CZ 3.67Å
39E95.2Very high92Very high34 Ų3453.7 Ų53.716%0.15930%0.303CS..EExtended strand (participates in β ladder)trans-121.9128.5178.7175.2163.7-15800110.4T19 K20 T41 I46 H48T19-E39 WeakPolarHBondContact O-CA 3.39Å; K20-E39 WeakPolarHBondContact CE-OE1 3.14Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.96Å; K20-E39 IonicContact NZ-OE1 3.62Å; K20-E39 PolarHBondContact NZ-OE1 3.46Å; K20-E39 IonicContact NZ-OE2 3.36Å; K20-E39 PolarHBondContact NZ-OE2 2.86Å; E39-T41 HydrophobicContact CG-CG2 4.1Å; E39-I46 HydrophobicContact CB-CB 4.35Å; E39-I46 PolarHBondContact N-O 3.28Å; E39-I46 PolarHBondContact O-N 2.94Å; E39-H48 IonicContact OE2-CD2 3.63Å; E39-H48 IonicContact OE2-CE1 3.71Å; E39-H48 IonicContact OE2-NE2 2.75Å; E39-H48 PolarHBondContact OE2-NE2 2.7Å
40L95.2Very high91.5Very high4 Ų453.9 Ų53.92%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-102.6109176.9-79.973.1000107.8T19 F21 M38 L45 I97 L100 L101 L104T19-L40 WeakPolarHBondContact CB-O 3.34Å; T19-L40 PolarHBondContact O-N 3.15Å; F21-L40 HydrophobicContact CD2-CD1 4.06Å; F21-L40 HydrophobicContact CE2-CD1 4.06Å; M38-L40 HydrophobicContact CG-CD1 4.06Å; L40-L45 HydrophobicContact CD1-CD1 3.44Å; L40-L45 VanDerWaalsContact CD1-CD1 3.44Å; L40-L45 HydrophobicContact CG-CD1 3.65Å; L40-I97 HydrophobicContact CD1-CG2 4.1Å; L40-I97 HydrophobicContact CD2-CG2 4.27Å; L40-L100 HydrophobicContact CB-CD2 3.87Å; L40-L100 HydrophobicContact CB-CG 4.35Å; L40-L100 HydrophobicContact CD2-CB 4.04Å; L40-L100 HydrophobicContact CD2-CD2 3.91Å; L40-L100 HydrophobicContact CD2-CG 3.82Å; L40-L100 HydrophobicContact CG-CD2 4.44Å; L40-L101 HydrophobicContact CD2-CB 4.07Å; L40-L104 HydrophobicContact CB-CD1 3.92Å; L40-L104 HydrophobicContact CD2-CD1 4.31Å
41T93.4Very high91.1Very high35 Ų3561.3 Ų61.322%0.21532%0.323CS..  trans-95.3179.417674.20000110.4E39 T43 E44 I46 Y59 L104E39-T41 HydrophobicContact CG-CG2 4.1Å; T41-T43 PolarHBondContact O-N 3.32Å; T41-T43 PolarHBondContact OG1-N 3.02Å; T41-E44 WeakPolarHBondContact CB-O 3.2Å; T41-E44 PolarHBondContact N-O 2.95Å; T41-E44 VanDerWaalsContact N-O 3.13Å; T41-E44 WeakPolarHBondContact OG1-CG 3.43Å; T41-E44 PolarHBondContact OG1-N 3.27Å; T41-E44 PolarHBondContact OG1-O 2.86Å; T41-I46 HydrophobicContact CG2-CD1 3.64Å; T41-I46 HydrophobicContact CG2-CG1 4.16Å; T41-Y59 PolarHBondContact N-OH 2.84Å; T41-Y59 WeakPolarHBondContact O-CE2 3.19Å; T41-Y59 PolarHBondContact O-OH 2.89Å; T41-L104 WeakPolarHBondContact O-CD1 3.34Å
42Q89.6Confident90.6Very high105 Ų10566.7 Ų66.749%0.49134%0.337SS..SBendtrans-65-19.6174.4-168.757.157.300113.3N108Q42-N108 PolarHBondContact NE2-OD1 3.23Å; Q42-N108 PolarHBondContact O-ND2 3.38Å; Q42-N108 PolarHBondContact O-OD1 2.77Å
43T89.3Confident90.4Very high95 Ų9568.2 Ų68.258%0.58335%0.348SS*.SBendtrans-129.1-25.8-167.355.30000115.4T41 Y59T41-T43 PolarHBondContact O-N 3.32Å; T41-T43 PolarHBondContact OG1-N 3.02Å; T43-Y59 VanDerWaalsContact C-CE2 3.45Å; T43-Y59 VanDerWaalsContact O-CD2 3.22Å; T43-Y59 WeakPolarHBondContact O-CD2 3.46Å; T43-Y59 PolarHBondContact O-N 3.16Å
44E93.9Very high90.6Very high39 Ų3964.2 Ų64.218%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-146.2149.7-176.658175.9-164.200112.7T41 I46 R56 Y59T41-E44 WeakPolarHBondContact CB-O 3.2Å; T41-E44 PolarHBondContact N-O 2.95Å; T41-E44 VanDerWaalsContact N-O 3.13Å; T41-E44 WeakPolarHBondContact OG1-CG 3.43Å; T41-E44 PolarHBondContact OG1-N 3.27Å; T41-E44 PolarHBondContact OG1-O 2.86Å; E44-I46 HydrophobicContact CG-CD1 4.02Å; E44-I46 HydrophobicContact CG-CG1 3.87Å; E44-I46 VanDerWaalsContact OE1-CD1 3.29Å; E44-I46 WeakPolarHBondContact OE1-CD1 3.31Å; E44-R56 VanDerWaalsContact OE1-CD 3.27Å; E44-R56 WeakPolarHBondContact OE1-CD 3.37Å; E44-R56 IonicContact OE1-CZ 3.82Å; E44-R56 IonicContact OE1-NE 2.77Å; E44-R56 PolarHBondContact OE1-NE 3.04Å; E44-R56 VanDerWaalsContact OE2-CD 3.31Å; E44-R56 WeakPolarHBondContact OE2-CD 3.49Å; E44-R56 IonicContact OE2-NE 3.73Å; E44-Y59 PolarHBondContact O-OH 3.45Å
45L95.1Very high90.8Very high0 Ų064 Ų640%032%0.323CS..EExtended strand (participates in β ladder)trans-85131166.3-173.368.6000108.8M38 L40 W57 Y59 F72 F74M38-L45 HydrophobicContact CE-CD2 4.41Å; M38-L45 HydrophobicContact CG-CD1 3.69Å; M38-L45 HydrophobicContact CG-CG 4.34Å; M38-L45 HydrophobicContact SD-CD1 3.63Å; M38-L45 HydrophobicContact SD-CD2 4.02Å; M38-L45 HydrophobicContact SD-CG 3.59Å; M38-L45 VanDerWaalsContact SD-CG 3.59Å; L40-L45 HydrophobicContact CD1-CD1 3.44Å; L40-L45 VanDerWaalsContact CD1-CD1 3.44Å; L40-L45 HydrophobicContact CG-CD1 3.65Å; L45-W57 HydrophobicContact CB-CB 4.44Å; L45-W57 HydrophobicContact CB-CE3 4.36Å; L45-W57 HydrophobicContact CD2-CE3 4.14Å; L45-W57 HydrophobicContact CG-CE3 4.17Å; L45-W57 PolarHBondContact N-O 3.14Å; L45-W57 PolarHBondContact O-N 3.25Å; L45-Y59 HydrophobicContact CB-CE1 3.92Å; L45-F72 HydrophobicContact CD2-CE1 4.26Å; L45-F74 HydrophobicContact CD2-CD1 3.92Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.31Å; L45-F74 HydrophobicContact CD2-CZ 3.61Å
46I95.1Very high90.9Very high9 Ų966.1 Ų66.15%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-126.9124.2-176.3-47-177.9000110.6M38 E39 T41 E44 A54 V55 R56M38-I46 CarbonylContact C-O 3.54Å; M38-I46 WeakPolarHBondContact CA-O 3.37Å; E39-I46 HydrophobicContact CB-CB 4.35Å; E39-I46 PolarHBondContact N-O 3.28Å; E39-I46 PolarHBondContact O-N 2.94Å; T41-I46 HydrophobicContact CG2-CD1 3.64Å; T41-I46 HydrophobicContact CG2-CG1 4.16Å; E44-I46 HydrophobicContact CG-CD1 4.02Å; E44-I46 HydrophobicContact CG-CG1 3.87Å; E44-I46 VanDerWaalsContact OE1-CD1 3.29Å; E44-I46 WeakPolarHBondContact OE1-CD1 3.31Å; I46-A54 HydrophobicContact CG2-CB 3.96Å; I46-V55 CarbonylContact C-O 3.59Å; I46-V55 VanDerWaalsContact CA-O 3.31Å; I46-V55 WeakPolarHBondContact CA-O 3.46Å; I46-R56 HydrophobicContact CG1-CG 4.29Å; I46-R56 HydrophobicContact CG2-CG 4.32Å
47L95.1Very high91Very high11 Ų1165.7 Ų65.76%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-100.3110.4169.2176.772.5000110.4V23 M38 T49 A54 V55 W57 F89V23-L47 HydrophobicContact CG2-CD1 3.55Å; M38-L47 HydrophobicContact CE-CB 4.38Å; M38-L47 HydrophobicContact CE-CD1 4.25Å; M38-L47 HydrophobicContact SD-CB 4.14Å; L47-T49 HydrophobicContact CD2-CG2 3.78Å; L47-T49 HydrophobicContact CG-CG2 3.84Å; L47-A54 WeakPolarHBondContact O-CA 3.4Å; L47-V55 HydrophobicContact CB-CB 4.46Å; L47-V55 PolarHBondContact N-O 3.06Å; L47-V55 PolarHBondContact O-N 3.18Å; L47-W57 HydrophobicContact CB-CH2 3.72Å; L47-W57 HydrophobicContact CB-CZ3 3.56Å; L47-W57 HydrophobicContact CD2-CH2 4.15Å; L47-F89 HydrophobicContact CD1-CE1 3.97Å; L47-F89 HydrophobicContact CD2-CE1 3.67Å; L47-F89 HydrophobicContact CD2-CZ 3.87Å; L47-F89 HydrophobicContact CG-CE1 4.42Å
48H93Very high91Very high69 Ų6966 Ų6632%0.31932%0.319SS..EExtended strand (participates in β ladder)trans-84.2115.9168.9-56.7-81.9000109.7G36 I37 E39G36-H48 CarbonylContact C-O 3.55Å; G36-H48 WeakPolarHBondContact CA-O 3.5Å; I37-H48 HydrophobicContact CB-CB 4.4Å; I37-H48 PolarHBondContact N-O 2.96Å; I37-H48 PolarHBondContact O-N 3.46Å; E39-H48 IonicContact OE2-CD2 3.63Å; E39-H48 IonicContact OE2-CE1 3.71Å; E39-H48 IonicContact OE2-NE2 2.75Å; E39-H48 PolarHBondContact OE2-NE2 2.7Å
49T90.8Very high90.8Very high39 Ų3966.1 Ų66.124%0.23932%0.32CS..EExtended strand (participates in β ladder)trans-106151.3176.283.20000111.2L47 K51 R52L47-T49 HydrophobicContact CD2-CG2 3.78Å; L47-T49 HydrophobicContact CG-CG2 3.84Å; T49-K51 PolarHBondContact O-N 3.24Å; T49-R52 WeakPolarHBondContact OG1-CB 3.14Å; T49-R52 PolarHBondContact OG1-N 2.78Å; T49-R52 PolarHBondContact OG1-O 3.02Å
50H78.6Confident90.6Very high159 Ų15970.4 Ų70.474%0.73634%0.343SS*.SBendtrans-76.5-1.1-179.6-157.3-52.2000113.8
51K75.3Confident90.4Very high201 Ų20171 Ų7187%0.87435%0.348SS*.SBendtrans-137.2-2.4-170.9-66.7-174179.6177.70115.4T49T49-K51 PolarHBondContact O-N 3.24Å
52R80.1Confident90.4Very high205 Ų20569.6 Ų69.677%0.77434%0.339SS*.SBendtrans-149.2161.4-178.6-54.2179.4-177.7134.5-1.4108.9T49T49-R52 WeakPolarHBondContact OG1-CB 3.14Å; T49-R52 PolarHBondContact OG1-N 2.78Å; T49-R52 PolarHBondContact OG1-O 3.02Å
53D87.4Confident90.6Very high144 Ų14468.3 Ų68.377%0.7733%0.329SS*.PPolyproline II helixtrans-53.3154.7173.2-56.3-66.4000112.8V55D53-V55 PolarHBondContact O-N 3.2Å
54A91.8Very high90.7Very high29 Ų2966.5 Ų66.524%0.2431%0.312CS..PPolyproline II helixtrans-66.8121.8178.600000110.8I46 L47I46-A54 HydrophobicContact CG2-CB 3.96Å; L47-A54 WeakPolarHBondContact O-CA 3.4Å
55V93.3Very high90.8Very high31 Ų3164.7 Ų64.719%0.18830%0.303CS..EExtended strand (participates in β ladder)trans-86.3133.7-177.4-176.80000109.5I46 L47 D53 W57 T82I46-V55 CarbonylContact C-O 3.59Å; I46-V55 VanDerWaalsContact CA-O 3.31Å; I46-V55 WeakPolarHBondContact CA-O 3.46Å; L47-V55 HydrophobicContact CB-CB 4.46Å; L47-V55 PolarHBondContact N-O 3.06Å; L47-V55 PolarHBondContact O-N 3.18Å; D53-V55 PolarHBondContact O-N 3.2Å; V55-W57 HydrophobicContact CB-CH2 4.05Å; V55-W57 HydrophobicContact CB-CZ2 4.25Å; V55-W57 HydrophobicContact CB-CZ3 4.43Å; V55-W57 HydrophobicContact CG1-CD2 4.3Å; V55-W57 HydrophobicContact CG1-CH2 3.73Å; V55-W57 HydrophobicContact CG1-CZ2 3.43Å; V55-W57 VanDerWaalsContact CG1-CZ2 3.43Å; V55-W57 HydrophobicContact CG1-CZ3 4.26Å; V55-T82 HydrophobicContact CG1-CG2 3.37Å
56R94.3Very high90.7Very high121 Ų12164.7 Ų64.746%0.45730%0.303SS..EExtended strand (participates in β ladder)trans-116.8134.9-176.3-70.3174.4159.5103.4-0.2112.7E44 I46E44-R56 VanDerWaalsContact OE1-CD 3.27Å; E44-R56 WeakPolarHBondContact OE1-CD 3.37Å; E44-R56 IonicContact OE1-CZ 3.82Å; E44-R56 IonicContact OE1-NE 2.77Å; E44-R56 PolarHBondContact OE1-NE 3.04Å; E44-R56 VanDerWaalsContact OE2-CD 3.31Å; E44-R56 WeakPolarHBondContact OE2-CD 3.49Å; E44-R56 IonicContact OE2-NE 3.73Å; I46-R56 HydrophobicContact CG1-CG 4.29Å; I46-R56 HydrophobicContact CG2-CG 4.32Å
57W95.2Very high90.7Very high3 Ų367.1 Ų67.11%0.01131%0.312CS..EExtended strand (participates in β ladder)trans-127.5102.6169.6-54.4-84.8000109.9M38 L45 L47 V55 L62 F74 T82 F87 F89M38-W57 HydrophobicContact CE-CZ3 4.34Å; M38-W57 HydrophobicContact SD-CZ3 4.25Å; L45-W57 HydrophobicContact CB-CB 4.44Å; L45-W57 HydrophobicContact CB-CE3 4.36Å; L45-W57 HydrophobicContact CD2-CE3 4.14Å; L45-W57 HydrophobicContact CG-CE3 4.17Å; L45-W57 PolarHBondContact N-O 3.14Å; L45-W57 PolarHBondContact O-N 3.25Å; L47-W57 HydrophobicContact CB-CH2 3.72Å; L47-W57 HydrophobicContact CB-CZ3 3.56Å; L47-W57 HydrophobicContact CD2-CH2 4.15Å; V55-W57 HydrophobicContact CB-CH2 4.05Å; V55-W57 HydrophobicContact CB-CZ2 4.25Å; V55-W57 HydrophobicContact CB-CZ3 4.43Å; V55-W57 HydrophobicContact CG1-CD2 4.3Å; V55-W57 HydrophobicContact CG1-CH2 3.73Å; V55-W57 HydrophobicContact CG1-CZ2 3.43Å; V55-W57 VanDerWaalsContact CG1-CZ2 3.43Å; V55-W57 HydrophobicContact CG1-CZ3 4.26Å; W57-L62 HydrophobicContact CB-CD2 3.95Å; W57-F74 AromaticContact CD2-CE2 3.78Å; W57-F74 HydrophobicContact CD2-CE2 3.78Å; W57-F74 AromaticContact CD2-CZ 3.71Å; W57-F74 HydrophobicContact CD2-CZ 3.71Å; W57-F74 AromaticContact CE2-CE2 3.86Å; W57-F74 AromaticContact CE2-CZ 3.85Å; W57-F74 HydrophobicContact CE3-CE2 4.25Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CZ 4.32Å; W57-F74 AromaticContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CE2 4.35Å; W57-F74 AromaticContact CZ2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CZ 3.98Å; W57-F74 AromaticContact CZ3-CZ 3.86Å; W57-F74 HydrophobicContact CZ3-CZ 3.86Å; W57-T82 HydrophobicContact CZ2-CG2 4.03Å; W57-T82 PolarHBondContact NE1-OG1 2.86Å; W57-F87 AromaticContact CE2-CE2 3.96Å; W57-F87 HydrophobicContact CZ2-CD2 4Å; W57-F87 AromaticContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CG 4.37Å; W57-F87 HydrophobicContact CZ2-CZ 4.38Å; W57-F87 AromaticContact NE1-CE2 3.49Å; W57-F89 HydrophobicContact CH2-CZ 4.17Å
58P93.7Very high90.5Very high53 Ų5367.3 Ų67.334%0.34431%0.313SS..EExtended strand (participates in β ladder)trans-58.7138.4170.2-23.834.6000110.6L60 C61P58-L60 PolarHBondContact O-N 2.87Å; P58-L60 VanDerWaalsContact O-N 3.15Å; P58-C61 PolarHBondContact O-N 2.95Å
59Y92.5Very high90.2Very high3 Ų367.6 Ų67.61%0.01232%0.323CS..G310 helixtrans-58.9-33.8-173-64.2-48.6000113.5T41 T43 E44 L45 C61 L62 L101 L104 M105 N108T41-Y59 PolarHBondContact N-OH 2.84Å; T41-Y59 WeakPolarHBondContact O-CE2 3.19Å; T41-Y59 PolarHBondContact O-OH 2.89Å; T43-Y59 VanDerWaalsContact C-CE2 3.45Å; T43-Y59 VanDerWaalsContact O-CD2 3.22Å; T43-Y59 WeakPolarHBondContact O-CD2 3.46Å; T43-Y59 PolarHBondContact O-N 3.16Å; E44-Y59 PolarHBondContact O-OH 3.45Å; L45-Y59 HydrophobicContact CB-CE1 3.92Å; Y59-C61 PolarHBondContact O-N 3.06Å; Y59-L62 HydrophobicContact CD1-CD1 4.17Å; Y59-L62 PolarHBondContact O-N 2.97Å; Y59-L62 VanDerWaalsContact O-N 3.1Å; Y59-L101 HydrophobicContact CD1-CD1 3.6Å; Y59-L101 HydrophobicContact CE1-CD1 3.27Å; Y59-L104 HydrophobicContact CE2-CB 4.26Å; Y59-M105 HydrophobicContact CD1-CE 3.92Å; Y59-M105 HydrophobicContact CG-CE 4.14Å; Y59-N108 WeakPolarHBondContact CD2-ND2 3.43Å
60L90.2Very high90.3Very high123 Ų12370 Ų7064%0.64433%0.334SS*.G310 helixtrans-65-0.4172.7-64.2172.7000115.1P58 R79 I110P58-L60 PolarHBondContact O-N 2.87Å; P58-L60 VanDerWaalsContact O-N 3.15Å; L60-R79 PolarHBondContact O-NH2 2.98Å; L60-I110 HydrophobicContact CD2-CD1 3.81Å; L60-I110 HydrophobicContact CD2-CG1 3.78Å; L60-I110 HydrophobicContact CG-CD1 4.15Å
61C91.5Very high91Very high18 Ų1864 Ų6412%0.12231%0.308CS..G310 helixtrans-120.12.6175.4-61.40000113.3P58 Y59 G77 C80P58-C61 PolarHBondContact O-N 2.95Å; Y59-C61 PolarHBondContact O-N 3.06Å; C61-G77 PolarHBondContact O-N 3.03Å; C61-C80 WeakPolarHBondContact CB-SG 3.13Å
62L93.3Very high92Very high5 Ų554.4 Ų54.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-78.1144.1161.6-55.3-171.7000109W57 Y59 F74 E75 L101 M105 T198W57-L62 HydrophobicContact CB-CD2 3.95Å; Y59-L62 HydrophobicContact CD1-CD1 4.17Å; Y59-L62 PolarHBondContact O-N 2.97Å; Y59-L62 VanDerWaalsContact O-N 3.1Å; L62-F74 HydrophobicContact CD2-CD2 3.5Å; L62-F74 HydrophobicContact CD2-CE2 3.89Å; L62-F74 HydrophobicContact CD2-CG 4.23Å; L62-E75 WeakPolarHBondContact CA-O 3.49Å; L62-L101 HydrophobicContact CD1-CD2 4.36Å; L62-M105 HydrophobicContact CB-CE 4.26Å; L62-M105 HydrophobicContact CD1-CE 3.84Å; L62-M105 HydrophobicContact CG-CE 4.42Å; L62-T198 PolarHBondContact O-OG1 2.66Å
63R92.6Very high92.7Very high77 Ų7744.8 Ų44.829%0.29123%0.23SC..EExtended strand (participates in β ladder)trans-109.4-35.5-179.6-72.7172.3162.2177.8-4.1113.4E75 T198R63-E75 HydrophobicContact CB-CB 4.28Å; R63-E75 HydrophobicContact CB-CG 4.49Å; R63-E75 WeakPolarHBondContact CD-OE1 3.35Å; R63-E75 IonicContact CZ-OE1 3.64Å; R63-E75 PolarHBondContact N-O 2.96Å; R63-E75 IonicContact NE-OE1 3.82Å; R63-E75 IonicContact NH1-OE1 2.67Å; R63-E75 PolarHBondContact NH1-OE1 3.37Å; R63-T198 WeakPolarHBondContact CA-OG1 3.39Å; R63-T198 PolarHBondContact O-N 3.04Å; R63-T198 PolarHBondContact O-OG1 3Å; R63-T198 VanDerWaalsContact O-OG1 3.08Å
64R92.9Very high93.1Very high57 Ų5737.9 Ų37.922%0.21519%0.194CC..EExtended strand (participates in β ladder)trans-153.5153.6166.461.7175.9172.1-69.9-16.3108.7F74 E75 Y195 V196R64-F74 CarbonylContact O-C 3.47Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.4Å; R64-F74 WeakPolarHBondContact O-CB 3.37Å; R64-E75 HydrophobicContact CG-CB 4.02Å; R64-E75 IonicContact CZ-OE2 2.74Å; R64-E75 IonicContact NH1-OE2 3.67Å; R64-E75 PolarHBondContact NH1-OE2 2.69Å; R64-E75 IonicContact NH2-OE2 3.83Å; R64-E75 PolarHBondContact NH2-OE2 3.1Å; R64-E75 PolarHBondContact O-N 2.86Å; R64-Y195 HydrophobicContact CG-CD1 4.19Å; R64-V196 CarbonylContact C-O 3.51Å; R64-V196 WeakPolarHBondContact CA-O 3.38Å; R64-V196 WeakPolarHBondContact CB-O 3.33Å
65Y94.3Very high93.3Very high1 Ų137.5 Ų37.50%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-135.7158.9171.257.9-91.5000108.7S73 F98 L101 Q102 M105 V196 T198Y65-S73 CarbonylContact C-O 3.54Å; Y65-S73 WeakPolarHBondContact CA-O 3.12Å; Y65-F98 AromaticContact CD2-CD2 3.75Å; Y65-F98 HydrophobicContact CD2-CD2 3.75Å; Y65-F98 AromaticContact CD2-CE2 3.76Å; Y65-F98 HydrophobicContact CD2-CE2 3.76Å; Y65-F98 AromaticContact CE2-CD2 3.96Å; Y65-F98 HydrophobicContact CE2-CD2 3.96Å; Y65-F98 AromaticContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CZ 4.45Å; Y65-L101 HydrophobicContact CD1-CD2 4.01Å; Y65-L101 HydrophobicContact CD1-CG 4.43Å; Y65-L101 HydrophobicContact CD2-CD2 3.7Å; Y65-L101 HydrophobicContact CD2-CG 4.21Å; Y65-L101 HydrophobicContact CE2-CD2 4.28Å; Y65-L101 HydrophobicContact CE2-CG 4.3Å; Y65-L101 HydrophobicContact CG-CD2 3.54Å; Y65-L101 HydrophobicContact CG-CG 4.27Å; Y65-Q102 HydrophobicContact CE2-CG 3.92Å; Y65-M105 HydrophobicContact CD1-CE 4.14Å; Y65-M105 HydrophobicContact CE1-CE 4Å; Y65-M105 HydrophobicContact CE1-CG 4.03Å; Y65-M105 HydrophobicContact CE1-SD 4.47Å; Y65-V196 HydrophobicContact CE2-CB 4.28Å; Y65-V196 HydrophobicContact CE2-CG1 4.48Å; Y65-V196 PolarHBondContact N-O 2.67Å; Y65-V196 PolarHBondContact O-N 3.09Å; Y65-T198 HydrophobicContact CD1-CG2 4.19Å; Y65-T198 HydrophobicContact CE1-CG2 3.93Å
66G94.1Very high93.3Very high0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-171.8166.7-173.100000113.1F72 S73 T194G66-F72 WeakPolarHBondContact O-CD2 3.49Å; G66-S73 PolarHBondContact N-O 2.85Å; G66-S73 PolarHBondContact O-N 2.81Å; G66-S73 VanDerWaalsContact O-O 3.12Å; G66-S73 PolarHBondContact O-OG 3.31Å; G66-T194 CarbonylContact C-O 3.47Å; G66-T194 WeakPolarHBondContact CA-O 3.5Å
67Y94.3Very high93.2Very high60 Ų6030.6 Ų30.624%0.23516%0.159CC..EExtended strand (participates in β ladder)trans-144.1164.8178.483.7-71.4000112.1L71 E95 F98 T194Y67-L71 CarbonylContact C-O 3.54Å; Y67-L71 VanDerWaalsContact CA-O 3.28Å; Y67-L71 WeakPolarHBondContact CA-O 3.32Å; Y67-E95 HydrophobicContact CD2-CB 4.23Å; Y67-E95 HydrophobicContact CE2-CB 3.91Å; Y67-E95 HydrophobicContact CE2-CG 3.89Å; Y67-F98 HydrophobicContact CD1-CB 3.81Å; Y67-F98 AromaticContact CD1-CD1 3.67Å; Y67-F98 HydrophobicContact CD1-CD1 3.67Å; Y67-F98 AromaticContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CE1 4.08Å; Y67-F98 HydrophobicContact CD1-CE2 4.04Å; Y67-F98 AromaticContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CG 3.41Å; Y67-F98 VanDerWaalsContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CZ 4.24Å; Y67-F98 HydrophobicContact CE1-CB 4.46Å; Y67-F98 AromaticContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD2 4.34Å; Y67-F98 AromaticContact CE1-CE1 3.81Å; Y67-F98 HydrophobicContact CE1-CE1 3.81Å; Y67-F98 AromaticContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CZ 4.25Å; Y67-F98 HydrophobicContact CG-CB 4.09Å; Y67-F98 HydrophobicContact CG-CD2 4.46Å; Y67-F98 HydrophobicContact CG-CG 4.19Å; Y67-T194 PolarHBondContact N-O 3.36Å; Y67-T194 PolarHBondContact O-N 2.94Å
68D91.9Very high93.1Very high15 Ų1539.7 Ų39.78%0.0819%0.193CC..EExtended strand (participates in β ladder)trans-150.4129.1166.1149.251.4000105.6N70 L71 Q191 H193D68-N70 PolarHBondContact O-N 3.15Å; D68-L71 PolarHBondContact N-O 2.87Å; D68-L71 WeakPolarHBondContact O-CA 3.37Å; D68-L71 PolarHBondContact O-N 3.06Å; D68-L71 VanDerWaalsContact O-O 3.1Å; D68-Q191 PolarHBondContact OD1-NE2 3.4Å; D68-Q191 WeakPolarHBondContact OD2-CG 3.3Å; D68-H193 WeakPolarHBondContact CB-ND1 3.49Å; D68-H193 IonicContact OD2-CE1 3.43Å; D68-H193 PolarHBondContact OD2-CE1 3.32Å; D68-H193 IonicContact OD2-ND1 3.35Å
69S87.3Confident92.8Very high76 Ų7646.3 Ų46.353%0.53121%0.212SC..THydrogen-bonded Turntrans42.6-83.4163.8-49.30000116.9Q191S69-Q191 PolarHBondContact OG-NE2 3.15Å; S69-Q191 VanDerWaalsContact OG-NE2 3.14Å
70N91.4Very high92.6Very high88 Ų8846.6 Ų46.647%0.47121%0.214SC..THydrogen-bonded Turntrans-121.519.5-178.866.932.5000114.2D68 K90 C91D68-N70 PolarHBondContact O-N 3.15Å; N70-K90 CarbonylContact O-C 3.17Å; N70-K90 VanDerWaalsContact O-CA 3.3Å; N70-K90 WeakPolarHBondContact O-CA 3.48Å; N70-C91 CarbonylContact C-O 3.6Å; N70-C91 VanDerWaalsContact CA-O 3.25Å; N70-C91 WeakPolarHBondContact CA-O 3.42Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 2.9Å; N70-C91 VanDerWaalsContact O-O 3.07Å
71L93.8Very high92.4Very high33 Ų3347.9 Ų47.917%0.17322%0.216CC..EExtended strand (participates in β ladder)trans-135.8122.4-173.8-169.775.8000110.5V26 Y67 D68 A88V26-L71 HydrophobicContact CG2-CD1 3.98Å; Y67-L71 CarbonylContact C-O 3.54Å; Y67-L71 VanDerWaalsContact CA-O 3.28Å; Y67-L71 WeakPolarHBondContact CA-O 3.32Å; D68-L71 PolarHBondContact N-O 2.87Å; D68-L71 WeakPolarHBondContact O-CA 3.37Å; D68-L71 PolarHBondContact O-N 3.06Å; D68-L71 VanDerWaalsContact O-O 3.1Å; L71-A88 HydrophobicContact CD1-CB 4.31Å
72F95.7Very high92.2Very high0 Ų049.7 Ų49.70%023%0.227CC..EExtended strand (participates in β ladder)trans-105.3141.8169.2170.6-109000109.8L45 G66 F74 F89 A94 I97 L101L45-F72 HydrophobicContact CD2-CE1 4.26Å; G66-F72 WeakPolarHBondContact O-CD2 3.49Å; F72-F74 HydrophobicContact CD1-CD1 4.38Å; F72-F74 AromaticContact CE1-CD1 3.54Å; F72-F74 HydrophobicContact CE1-CD1 3.54Å; F72-F74 AromaticContact CE1-CE1 3.88Å; F72-F74 HydrophobicContact CE1-CE1 3.88Å; F72-F74 AromaticContact CZ-CD1 3.88Å; F72-F74 HydrophobicContact CZ-CD1 3.88Å; F72-F89 HydrophobicContact CD1-CD2 4.43Å; F72-F89 PolarHBondContact N-O 3.13Å; F72-F89 PolarHBondContact O-N 2.94Å; F72-A94 HydrophobicContact CB-CB 4.11Å; F72-I97 HydrophobicContact CB-CD1 4.38Å; F72-I97 HydrophobicContact CD1-CG2 3.74Å; F72-I97 HydrophobicContact CD2-CB 4.31Å; F72-I97 HydrophobicContact CD2-CG2 3.68Å; F72-I97 HydrophobicContact CE1-CG2 3.72Å; F72-I97 HydrophobicContact CE2-CG2 3.68Å; F72-I97 HydrophobicContact CG-CB 4.33Å; F72-I97 HydrophobicContact CG-CD1 4.49Å; F72-I97 HydrophobicContact CG-CG2 3.71Å; F72-I97 HydrophobicContact CZ-CG2 3.7Å; F72-L101 HydrophobicContact CE2-CD2 4.05Å; F72-L101 HydrophobicContact CZ-CD2 3.8Å
73S95.1Very high92.1Very high3 Ų350.7 Ų50.72%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-146.6154.9-176.766.60000113.5Y65 G66 F87 Y195Y65-S73 CarbonylContact C-O 3.54Å; Y65-S73 WeakPolarHBondContact CA-O 3.12Å; G66-S73 PolarHBondContact N-O 2.85Å; G66-S73 PolarHBondContact O-N 2.81Å; G66-S73 VanDerWaalsContact O-O 3.12Å; G66-S73 PolarHBondContact O-OG 3.31Å; S73-F87 CarbonylContact C-O 3.54Å; S73-F87 WeakPolarHBondContact CA-O 3.37Å; S73-Y195 WeakPolarHBondContact OG-CE1 3.42Å; S73-Y195 PolarHBondContact OG-OH 3.48Å
74F95.8Very high92.1Very high0 Ų051.1 Ų51.10%024%0.244CC..EExtended strand (participates in β ladder)trans-156.1152.9173.159.2-89.8000113.2M38 L45 W57 L62 R64 F72 I86 F87 F89M38-F74 HydrophobicContact CE-CE1 4.2Å; L45-F74 HydrophobicContact CD2-CD1 3.92Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.31Å; L45-F74 HydrophobicContact CD2-CZ 3.61Å; W57-F74 AromaticContact CD2-CE2 3.78Å; W57-F74 HydrophobicContact CD2-CE2 3.78Å; W57-F74 AromaticContact CD2-CZ 3.71Å; W57-F74 HydrophobicContact CD2-CZ 3.71Å; W57-F74 AromaticContact CE2-CE2 3.86Å; W57-F74 AromaticContact CE2-CZ 3.85Å; W57-F74 HydrophobicContact CE3-CE2 4.25Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CZ 4.32Å; W57-F74 AromaticContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CE2 4.35Å; W57-F74 AromaticContact CZ2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CZ 3.98Å; W57-F74 AromaticContact CZ3-CZ 3.86Å; W57-F74 HydrophobicContact CZ3-CZ 3.86Å; L62-F74 HydrophobicContact CD2-CD2 3.5Å; L62-F74 HydrophobicContact CD2-CE2 3.89Å; L62-F74 HydrophobicContact CD2-CG 4.23Å; R64-F74 CarbonylContact O-C 3.47Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.4Å; R64-F74 WeakPolarHBondContact O-CB 3.37Å; F72-F74 HydrophobicContact CD1-CD1 4.38Å; F72-F74 AromaticContact CE1-CD1 3.54Å; F72-F74 HydrophobicContact CE1-CD1 3.54Å; F72-F74 AromaticContact CE1-CE1 3.88Å; F72-F74 HydrophobicContact CE1-CE1 3.88Å; F72-F74 AromaticContact CZ-CD1 3.88Å; F72-F74 HydrophobicContact CZ-CD1 3.88Å; F74-I86 CarbonylContact O-C 3.55Å; F74-I86 WeakPolarHBondContact O-CA 3.28Å; F74-F87 HydrophobicContact CD2-CD2 4.19Å; F74-F87 HydrophobicContact CE1-CB 4.29Å; F74-F87 HydrophobicContact CE2-CB 4.29Å; F74-F87 AromaticContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CE2 4.39Å; F74-F87 HydrophobicContact CE2-CG 4.34Å; F74-F87 HydrophobicContact CZ-CB 4.07Å; F74-F87 AromaticContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CG 4.37Å; F74-F87 PolarHBondContact N-O 3.47Å; F74-F87 PolarHBondContact O-N 3.36Å; F74-F89 HydrophobicContact CD1-CE2 4.48Å; F74-F89 AromaticContact CE1-CD2 3.96Å; F74-F89 HydrophobicContact CE1-CD2 3.96Å; F74-F89 AromaticContact CE1-CE2 3.54Å; F74-F89 HydrophobicContact CE1-CE2 3.54Å; F74-F89 AromaticContact CZ-CE2 3.95Å; F74-F89 HydrophobicContact CZ-CE2 3.95Å
75E95.8Very high92.1Very high21 Ų2149.5 Ų49.510%0.09825%0.245CC..EExtended strand (participates in β ladder)trans-96.9126166-168.3-168.5151.100110.5L62 R63 R64 I86L62-E75 WeakPolarHBondContact CA-O 3.49Å; R63-E75 HydrophobicContact CB-CB 4.28Å; R63-E75 HydrophobicContact CB-CG 4.49Å; R63-E75 WeakPolarHBondContact CD-OE1 3.35Å; R63-E75 IonicContact CZ-OE1 3.64Å; R63-E75 PolarHBondContact N-O 2.96Å; R63-E75 IonicContact NE-OE1 3.82Å; R63-E75 IonicContact NH1-OE1 2.67Å; R63-E75 PolarHBondContact NH1-OE1 3.37Å; R64-E75 HydrophobicContact CG-CB 4.02Å; R64-E75 IonicContact CZ-OE2 2.74Å; R64-E75 IonicContact NH1-OE2 3.67Å; R64-E75 PolarHBondContact NH1-OE2 2.69Å; R64-E75 IonicContact NH2-OE2 3.83Å; R64-E75 PolarHBondContact NH2-OE2 3.1Å; R64-E75 PolarHBondContact O-N 2.86Å; E75-I86 HydrophobicContact CB-CG1 4.13Å; E75-I86 HydrophobicContact CG-CG1 4.01Å
76S94.9Very high92.1Very high0 Ų054 Ų540%027%0.268CS..EExtended strand (participates in β ladder)trans-91.3143169.762.70000112.1G83 Q84 G85 F87S76-G83 PolarHBondContact OG-O 3.31Å; S76-Q84 WeakPolarHBondContact O-CA 3.41Å; S76-G85 PolarHBondContact N-O 2.77Å; S76-G85 PolarHBondContact O-N 2.75Å; S76-G85 PolarHBondContact OG-N 2.86Å; S76-G85 VanDerWaalsContact OG-N 3.09Å; S76-G85 PolarHBondContact OG-O 3.28Å; S76-F87 WeakPolarHBondContact OG-CE2 3.21Å
77G92.1Very high92.1Very high6 Ų656.1 Ų56.16%0.06228%0.277CS..PPolyproline II helixtrans-82.8163.6171.500000113.2C61 R79 C80C61-G77 PolarHBondContact O-N 3.03Å; G77-R79 PolarHBondContact O-N 3.31Å; G77-C80 PolarHBondContact O-N 2.94Å
78R92.3Very high92.2Very high194 Ų19454.3 Ų54.373%0.73228%0.275SS*.THydrogen-bonded Turntrans-56.7-10.4-179.9-63-178.3-175.7-179.7-0.9115.6Q84R78-Q84 HydrophobicContact CB-CB 4.41Å; R78-Q84 HydrophobicContact CG-CB 3.58Å; R78-Q84 HydrophobicContact CG-CG 4.46Å
79R87.4Confident92.3Very high193 Ų19353.6 Ų53.673%0.72827%0.271SS*.THydrogen-bonded Turntrans-84.8-12.6178.4-59.3-169-63-1461.7113.6L60 G77L60-R79 PolarHBondContact O-NH2 2.98Å; G77-R79 PolarHBondContact O-N 3.31Å
80C89.2Confident92.7Very high9 Ų954.2 Ų54.26%0.06126%0.264CS..SBendtrans-72.6155.5177.4-68.70000111.9C61 G77 T82 G83C61-C80 WeakPolarHBondContact CB-SG 3.13Å; G77-C80 PolarHBondContact O-N 2.94Å; C80-T82 PolarHBondContact O-N 2.86Å; C80-T82 VanDerWaalsContact O-N 3.17Å; C80-G83 PolarHBondContact O-N 2.93Å
81Q84.8Confident92.8Very high149 Ų14950.2 Ų50.270%0.69624%0.243SC*.THydrogen-bonded Turntrans-57.3-29.8175.2-171.4-176.310.400112.5G83Q81-G83 VanDerWaalsContact C-N 3.3Å
82T88.6Confident92.7Very high56 Ų5653.5 Ų53.534%0.34427%0.269SS..THydrogen-bonded Turntrans-79.2-5.5175.2550000114.7V55 W57 C80 F87V55-T82 HydrophobicContact CG1-CG2 3.37Å; W57-T82 HydrophobicContact CZ2-CG2 4.03Å; W57-T82 PolarHBondContact NE1-OG1 2.86Å; C80-T82 PolarHBondContact O-N 2.86Å; C80-T82 VanDerWaalsContact O-N 3.17Å; T82-F87 HydrophobicContact CG2-CE2 4.41Å; T82-F87 HydrophobicContact CG2-CZ 3.97Å
83G90.3Very high92.5Very high26 Ų2654.6 Ų54.627%0.26827%0.273SS..  trans68.8-163.4-161.300000112.5S76 C80 Q81S76-G83 PolarHBondContact OG-O 3.31Å; C80-G83 PolarHBondContact O-N 2.93Å; Q81-G83 VanDerWaalsContact C-N 3.3Å
84Q93.3Very high92.4Very high87 Ų8754.4 Ų54.441%0.40727%0.272SS..SBendtrans-81.6130.6175.9170.3-177.9-5.100110.5S76 R78S76-Q84 WeakPolarHBondContact O-CA 3.41Å; R78-Q84 HydrophobicContact CB-CB 4.41Å; R78-Q84 HydrophobicContact CG-CB 3.58Å; R78-Q84 HydrophobicContact CG-CG 4.46Å
85G92.9Very high92.2Very high22 Ų2259.7 Ų59.723%0.22730%0.296CS..EExtended strand (participates in β ladder)trans-172.9160174.200000111.8S76S76-G85 PolarHBondContact N-O 2.77Å; S76-G85 PolarHBondContact O-N 2.75Å; S76-G85 PolarHBondContact OG-N 2.86Å; S76-G85 VanDerWaalsContact OG-N 3.09Å; S76-G85 PolarHBondContact OG-O 3.28Å
86I93.9Very high92.1Very high96 Ų9662.8 Ų62.849%0.49231%0.311SS..EExtended strand (participates in β ladder)trans-90.1138.2165-58.9174.1000107.1F74 E75F74-I86 CarbonylContact O-C 3.55Å; F74-I86 WeakPolarHBondContact O-CA 3.28Å; E75-I86 HydrophobicContact CB-CG1 4.13Å; E75-I86 HydrophobicContact CG-CG1 4.01Å
87F94.3Very high92.1Very high44 Ų4462.8 Ų62.819%0.19331%0.311CS..EExtended strand (participates in β ladder)trans-122.9137.5172.9-59.6-72.4000109.8W57 S73 F74 S76 T82 F89W57-F87 AromaticContact CE2-CE2 3.96Å; W57-F87 HydrophobicContact CZ2-CD2 4Å; W57-F87 AromaticContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CG 4.37Å; W57-F87 HydrophobicContact CZ2-CZ 4.38Å; W57-F87 AromaticContact NE1-CE2 3.49Å; S73-F87 CarbonylContact C-O 3.54Å; S73-F87 WeakPolarHBondContact CA-O 3.37Å; F74-F87 HydrophobicContact CD2-CD2 4.19Å; F74-F87 HydrophobicContact CE1-CB 4.29Å; F74-F87 HydrophobicContact CE2-CB 4.29Å; F74-F87 AromaticContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CE2 4.39Å; F74-F87 HydrophobicContact CE2-CG 4.34Å; F74-F87 HydrophobicContact CZ-CB 4.07Å; F74-F87 AromaticContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CG 4.37Å; F74-F87 PolarHBondContact N-O 3.47Å; F74-F87 PolarHBondContact O-N 3.36Å; S76-F87 WeakPolarHBondContact OG-CE2 3.21Å; T82-F87 HydrophobicContact CG2-CE2 4.41Å; T82-F87 HydrophobicContact CG2-CZ 3.97Å; F87-F89 HydrophobicContact CB-CD2 4.31Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 4.1Å; F87-F89 HydrophobicContact CG-CE2 4.47Å
88A95.4Very high92.1Very high23 Ų2362.9 Ų62.919%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-123.8139.2178.700000110.3V26 L71V26-A88 HydrophobicContact CG2-CB 3.7Å; V26-A88 PolarHBondContact N-O 3.36Å; V26-A88 VanDerWaalsContact N-O 3.13Å; L71-A88 HydrophobicContact CD1-CB 4.31Å
89F95.6Very high92.2Very high0 Ų056.7 Ų56.70%029%0.291CS..EExtended strand (participates in β ladder)trans-140.4108.1-168.7-70.3-75.7000110.9V23 T24 N25 M38 L47 W57 F72 F74 F87 C91V23-F89 HydrophobicContact CB-CB 4.18Å; V23-F89 HydrophobicContact CB-CD1 4.12Å; V23-F89 HydrophobicContact CG1-CB 4.42Å; V23-F89 HydrophobicContact CG2-CD1 3.84Å; V23-F89 HydrophobicContact CG2-CE1 4.41Å; T24-F89 CarbonylContact O-C 3.5Å; T24-F89 WeakPolarHBondContact O-CA 3.22Å; N25-F89 HydrophobicContact CB-CD1 4.12Å; N25-F89 HydrophobicContact CB-CE1 3.83Å; M38-F89 HydrophobicContact CE-CD1 4.07Å; M38-F89 HydrophobicContact CE-CD2 3.61Å; M38-F89 HydrophobicContact CE-CE1 3.96Å; M38-F89 HydrophobicContact CE-CE2 3.48Å; M38-F89 VanDerWaalsContact CE-CE2 3.48Å; M38-F89 HydrophobicContact CE-CG 3.91Å; M38-F89 HydrophobicContact CE-CZ 3.67Å; L47-F89 HydrophobicContact CD1-CE1 3.97Å; L47-F89 HydrophobicContact CD2-CE1 3.67Å; L47-F89 HydrophobicContact CD2-CZ 3.87Å; L47-F89 HydrophobicContact CG-CE1 4.42Å; W57-F89 HydrophobicContact CH2-CZ 4.17Å; F72-F89 HydrophobicContact CD1-CD2 4.43Å; F72-F89 PolarHBondContact N-O 3.13Å; F72-F89 PolarHBondContact O-N 2.94Å; F74-F89 HydrophobicContact CD1-CE2 4.48Å; F74-F89 AromaticContact CE1-CD2 3.96Å; F74-F89 HydrophobicContact CE1-CD2 3.96Å; F74-F89 AromaticContact CE1-CE2 3.54Å; F74-F89 HydrophobicContact CE1-CE2 3.54Å; F74-F89 AromaticContact CZ-CE2 3.95Å; F74-F89 HydrophobicContact CZ-CE2 3.95Å; F87-F89 HydrophobicContact CB-CD2 4.31Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 4.1Å; F87-F89 HydrophobicContact CG-CE2 4.47Å; F89-C91 PolarHBondContact O-N 3.47Å
90K94.4Very high92.5Very high88 Ų8849.2 Ų49.238%0.38327%0.266SS..EExtended strand (participates in β ladder)trans-69.2120.7174.1-171.1176.5179.2-178.10109.6V23 T24 V26 E32 N70V23-K90 WeakPolarHBondContact CA-O 3.2Å; T24-K90 PolarHBondContact N-O 3.18Å; T24-K90 PolarHBondContact O-N 3.05Å; V26-K90 HydrophobicContact CG1-CB 4.19Å; E32-K90 WeakPolarHBondContact OE1-CD 3.12Å; E32-K90 WeakPolarHBondContact OE1-CE 3.4Å; E32-K90 IonicContact OE1-NZ 2.7Å; E32-K90 PolarHBondContact OE1-NZ 2.93Å; N70-K90 CarbonylContact O-C 3.17Å; N70-K90 VanDerWaalsContact O-CA 3.3Å; N70-K90 WeakPolarHBondContact O-CA 3.48Å
91C93.1Very high92.7Very high5 Ų548.8 Ų48.83%0.03426%0.263CS..  trans-155.3130-176-170.10000110.3K22 V23 N70 F89 R93 A94 I97K22-C91 PolarHBondContact O-SG 3.38Å; V23-C91 HydrophobicContact CG1-CB 4.01Å; N70-C91 CarbonylContact C-O 3.6Å; N70-C91 VanDerWaalsContact CA-O 3.25Å; N70-C91 WeakPolarHBondContact CA-O 3.42Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 2.9Å; N70-C91 VanDerWaalsContact O-O 3.07Å; F89-C91 PolarHBondContact O-N 3.47Å; C91-R93 PolarHBondContact O-N 3Å; C91-R93 PolarHBondContact SG-N 3.03Å; C91-A94 WeakPolarHBondContact O-CB 3.22Å; C91-A94 PolarHBondContact O-N 3.31Å; C91-I97 HydrophobicContact CB-CD1 4.22Å
92S91.9Very high93Very high102 Ų10243.4 Ų43.471%0.71324%0.238SC*.THydrogen-bonded Turntrans-65.5-18.2173.547.20000114
93R91.2Very high93.1Very high22 Ų2245.4 Ų45.48%0.08325%0.246CC..THydrogen-bonded Turntrans-108.330.4-178.8-60.8175.964.5-144.7-7.9111.4D15 H17 K20 F21 C91 E95 E96 I97D15-R93 PolarHBondContact O-NH1 3.25Å; H17-R93 PolarHBondContact O-NH1 2.83Å; H17-R93 PolarHBondContact O-NH2 3.09Å; K20-R93 PolarHBondContact O-NH1 3.47Å; F21-R93 HydrophobicContact CD1-CB 3.81Å; F21-R93 VanDerWaalsContact CD1-CZ 3.49Å; F21-R93 HydrophobicContact CE1-CB 4.29Å; F21-R93 VanDerWaalsContact CE1-CZ 3.45Å; C91-R93 PolarHBondContact O-N 3Å; C91-R93 PolarHBondContact SG-N 3.03Å; R93-E95 VanDerWaalsContact C-N 3.31Å; R93-E95 PolarHBondContact O-N 3.21Å; R93-E96 HydrophobicContact CB-CB 4.4Å; R93-E96 WeakPolarHBondContact CB-OE1 3.34Å; R93-E96 WeakPolarHBondContact CD-OE1 3.3Å; R93-E96 VanDerWaalsContact CG-OE1 3.24Å; R93-E96 WeakPolarHBondContact CG-OE1 3.38Å; R93-E96 IonicContact CZ-OE1 2.67Å; R93-E96 IonicContact CZ-OE2 3.52Å; R93-E96 IonicContact NE-OE1 3.58Å; R93-E96 PolarHBondContact NE-OE1 2.72Å; R93-E96 IonicContact NE-OE2 2.81Å; R93-E96 PolarHBondContact NE-OE2 3.02Å; R93-E96 IonicContact NH2-OE1 3.22Å; R93-E96 IonicContact NH2-OE2 3.72Å; R93-E96 PolarHBondContact NH2-OE2 2.83Å; R93-E96 PolarHBondContact O-N 2.68Å; R93-I97 WeakPolarHBondContact O-CG1 3.45Å; R93-I97 PolarHBondContact O-N 3.38Å; R93-I97 VanDerWaalsContact O-N 3.14Å
94A93.3Very high93.2Very high0 Ų044.9 Ų44.90%024%0.237CC..Hα-helixtrans-60.3-37.7-176.300000113.2F72 C91 I97 F98F72-A94 HydrophobicContact CB-CB 4.11Å; C91-A94 WeakPolarHBondContact O-CB 3.22Å; C91-A94 PolarHBondContact O-N 3.31Å; A94-I97 PolarHBondContact O-N 2.92Å; A94-F98 PolarHBondContact O-N 3.12Å
95E92.8Very high93Very high110 Ų11040.8 Ų40.851%0.51422%0.218SC..Hα-helixtrans-62.9-44174.4-168-162.9141.800111.9Y67 R93 I97 F98 N99Y67-E95 HydrophobicContact CD2-CB 4.23Å; Y67-E95 HydrophobicContact CE2-CB 3.91Å; Y67-E95 HydrophobicContact CE2-CG 3.89Å; R93-E95 VanDerWaalsContact C-N 3.31Å; R93-E95 PolarHBondContact O-N 3.21Å; E95-I97 VanDerWaalsContact C-N 3.32Å; E95-I97 PolarHBondContact O-N 3.28Å; E95-F98 WeakPolarHBondContact O-CB 3.4Å; E95-F98 PolarHBondContact O-N 3.43Å; E95-F98 VanDerWaalsContact O-N 3.14Å; E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 VanDerWaalsContact O-CG 3.31Å; E95-N99 PolarHBondContact O-N 2.97Å; E95-N99 PolarHBondContact O-ND2 3.48Å; E95-N99 PolarHBondContact OE1-ND2 3.23Å
96E93.3Very high92.6Very high87 Ų8746 Ų4641%0.40724%0.236SC..Hα-helixtrans-63.2-37.8177.1-66.6-179-108.100112.3F21 R93 F98 L100F21-E96 HydrophobicContact CE1-CB 3.66Å; F21-E96 HydrophobicContact CZ-CB 4.24Å; R93-E96 HydrophobicContact CB-CB 4.4Å; R93-E96 WeakPolarHBondContact CB-OE1 3.34Å; R93-E96 WeakPolarHBondContact CD-OE1 3.3Å; R93-E96 VanDerWaalsContact CG-OE1 3.24Å; R93-E96 WeakPolarHBondContact CG-OE1 3.38Å; R93-E96 IonicContact CZ-OE1 2.67Å; R93-E96 IonicContact CZ-OE2 3.52Å; R93-E96 IonicContact NE-OE1 3.58Å; R93-E96 PolarHBondContact NE-OE1 2.72Å; R93-E96 IonicContact NE-OE2 2.81Å; R93-E96 PolarHBondContact NE-OE2 3.02Å; R93-E96 IonicContact NH2-OE1 3.22Å; R93-E96 IonicContact NH2-OE2 3.72Å; R93-E96 PolarHBondContact NH2-OE2 2.83Å; R93-E96 PolarHBondContact O-N 2.68Å; E96-F98 VanDerWaalsContact C-N 3.34Å; E96-L100 VanDerWaalsContact O-CB 3.22Å; E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 3.48Å
97I94.1Very high92Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-61.5-45.3173.2-65.1169.9000110.2F21 V23 L40 F72 C91 R93 A94 E95 L101F21-I97 HydrophobicContact CB-CD1 3.74Å; F21-I97 HydrophobicContact CB-CG1 3.92Å; F21-I97 HydrophobicContact CD1-CD1 4.29Å; F21-I97 HydrophobicContact CD1-CG1 3.66Å; F21-I97 HydrophobicContact CD2-CD1 4.34Å; F21-I97 HydrophobicContact CD2-CG1 3.64Å; F21-I97 HydrophobicContact CE1-CG1 4.02Å; F21-I97 HydrophobicContact CE2-CG1 4.01Å; F21-I97 HydrophobicContact CG-CD1 3.88Å; F21-I97 HydrophobicContact CG-CG1 3.45Å; F21-I97 VanDerWaalsContact CG-CG1 3.45Å; F21-I97 HydrophobicContact CZ-CG1 4.19Å; V23-I97 HydrophobicContact CG1-CD1 4.22Å; L40-I97 HydrophobicContact CD1-CG2 4.1Å; L40-I97 HydrophobicContact CD2-CG2 4.27Å; F72-I97 HydrophobicContact CB-CD1 4.38Å; F72-I97 HydrophobicContact CD1-CG2 3.74Å; F72-I97 HydrophobicContact CD2-CB 4.31Å; F72-I97 HydrophobicContact CD2-CG2 3.68Å; F72-I97 HydrophobicContact CE1-CG2 3.72Å; F72-I97 HydrophobicContact CE2-CG2 3.68Å; F72-I97 HydrophobicContact CG-CB 4.33Å; F72-I97 HydrophobicContact CG-CD1 4.49Å; F72-I97 HydrophobicContact CG-CG2 3.71Å; F72-I97 HydrophobicContact CZ-CG2 3.7Å; C91-I97 HydrophobicContact CB-CD1 4.22Å; R93-I97 WeakPolarHBondContact O-CG1 3.45Å; R93-I97 PolarHBondContact O-N 3.38Å; R93-I97 VanDerWaalsContact O-N 3.14Å; A94-I97 PolarHBondContact O-N 2.92Å; E95-I97 VanDerWaalsContact C-N 3.32Å; E95-I97 PolarHBondContact O-N 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 PolarHBondContact O-N 2.96Å
98F93.5Very high91.4Very high8 Ų846.4 Ų46.44%0.03525%0.248CC..Hα-helixtrans-65.1-49.5-179.2175.7-93.6000112.1Y65 Y67 A94 E95 E96 L100 L101 Q102 V196Y65-F98 AromaticContact CD2-CD2 3.75Å; Y65-F98 HydrophobicContact CD2-CD2 3.75Å; Y65-F98 AromaticContact CD2-CE2 3.76Å; Y65-F98 HydrophobicContact CD2-CE2 3.76Å; Y65-F98 AromaticContact CE2-CD2 3.96Å; Y65-F98 HydrophobicContact CE2-CD2 3.96Å; Y65-F98 AromaticContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CZ 4.45Å; Y67-F98 HydrophobicContact CD1-CB 3.81Å; Y67-F98 AromaticContact CD1-CD1 3.67Å; Y67-F98 HydrophobicContact CD1-CD1 3.67Å; Y67-F98 AromaticContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CE1 4.08Å; Y67-F98 HydrophobicContact CD1-CE2 4.04Å; Y67-F98 AromaticContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CG 3.41Å; Y67-F98 VanDerWaalsContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CZ 4.24Å; Y67-F98 HydrophobicContact CE1-CB 4.46Å; Y67-F98 AromaticContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD2 4.34Å; Y67-F98 AromaticContact CE1-CE1 3.81Å; Y67-F98 HydrophobicContact CE1-CE1 3.81Å; Y67-F98 AromaticContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CZ 4.25Å; Y67-F98 HydrophobicContact CG-CB 4.09Å; Y67-F98 HydrophobicContact CG-CD2 4.46Å; Y67-F98 HydrophobicContact CG-CG 4.19Å; A94-F98 PolarHBondContact O-N 3.12Å; E95-F98 WeakPolarHBondContact O-CB 3.4Å; E95-F98 PolarHBondContact O-N 3.43Å; E95-F98 VanDerWaalsContact O-N 3.14Å; E96-F98 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 3.03Å; F98-L101 WeakPolarHBondContact O-CB 3.41Å; F98-L101 PolarHBondContact O-N 3.24Å; F98-L101 VanDerWaalsContact O-N 3.15Å; F98-Q102 HydrophobicContact CE1-CG 4.17Å; F98-Q102 HydrophobicContact CZ-CG 4.31Å; F98-Q102 PolarHBondContact O-N 3.4Å; F98-V196 HydrophobicContact CE2-CB 4.41Å; F98-V196 HydrophobicContact CE2-CG2 3.84Å; F98-V196 HydrophobicContact CZ-CG2 3.68Å
99N93.4Very high90.6Very high63 Ų6350.3 Ų50.334%0.33727%0.274SS..Hα-helixtrans-60.9-46.1178.7-67.8-20.1000111.3E95 L101 Q102 D103E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 VanDerWaalsContact O-CG 3.31Å; E95-N99 PolarHBondContact O-N 2.97Å; E95-N99 PolarHBondContact O-ND2 3.48Å; E95-N99 PolarHBondContact OE1-ND2 3.23Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 2.88Å; N99-Q102 PolarHBondContact O-N 2.67Å; N99-D103 PolarHBondContact O-N 2.9Å
100L93.2Very high89.8Confident37 Ų3751.2 Ų51.219%0.19428%0.278CS..Hα-helixtrans-64.6-34.8176179.159.7000112P18 T19 F21 L40 E96 F98 D103 L104P18-L100 WeakPolarHBondContact O-CD2 3.33Å; T19-L100 HydrophobicContact CG2-CD2 4.14Å; F21-L100 HydrophobicContact CE2-CD2 4.03Å; F21-L100 HydrophobicContact CZ-CD2 4.14Å; L40-L100 HydrophobicContact CB-CD2 3.87Å; L40-L100 HydrophobicContact CB-CG 4.35Å; L40-L100 HydrophobicContact CD2-CB 4.04Å; L40-L100 HydrophobicContact CD2-CD2 3.91Å; L40-L100 HydrophobicContact CD2-CG 3.82Å; L40-L100 HydrophobicContact CG-CD2 4.44Å; E96-L100 VanDerWaalsContact O-CB 3.22Å; E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 3.48Å; F98-L100 PolarHBondContact O-N 3.03Å; L100-D103 PolarHBondContact O-N 3.17Å; L100-L104 HydrophobicContact CD1-CD1 3.99Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.5Å; L100-L104 WeakPolarHBondContact O-CD1 3.2Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 2.84Å
101L93.3Very high88.7Confident0 Ų053 Ų530%029%0.292CS..Hα-helixtrans-68.3-38.5175.5-174.358.1000111.9L40 Y59 L62 Y65 F72 I97 F98 N99 L104 M105L40-L101 HydrophobicContact CD2-CB 4.07Å; Y59-L101 HydrophobicContact CD1-CD1 3.6Å; Y59-L101 HydrophobicContact CE1-CD1 3.27Å; L62-L101 HydrophobicContact CD1-CD2 4.36Å; Y65-L101 HydrophobicContact CD1-CD2 4.01Å; Y65-L101 HydrophobicContact CD1-CG 4.43Å; Y65-L101 HydrophobicContact CD2-CD2 3.7Å; Y65-L101 HydrophobicContact CD2-CG 4.21Å; Y65-L101 HydrophobicContact CE2-CD2 4.28Å; Y65-L101 HydrophobicContact CE2-CG 4.3Å; Y65-L101 HydrophobicContact CG-CD2 3.54Å; Y65-L101 HydrophobicContact CG-CG 4.27Å; F72-L101 HydrophobicContact CE2-CD2 4.05Å; F72-L101 HydrophobicContact CZ-CD2 3.8Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 PolarHBondContact O-N 2.96Å; F98-L101 WeakPolarHBondContact O-CB 3.41Å; F98-L101 PolarHBondContact O-N 3.24Å; F98-L101 VanDerWaalsContact O-N 3.15Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 3.28Å; L101-M105 HydrophobicContact CD1-CE 3.95Å; L101-M105 HydrophobicContact CD1-CG 4.4Å; L101-M105 HydrophobicContact CG-CE 4.37Å; L101-M105 HydrophobicContact CG-CG 4.48Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 WeakPolarHBondContact O-CG 2.91Å; L101-M105 PolarHBondContact O-N 2.87Å
102Q91.6Very high87.6Confident36 Ų3655 Ų5517%0.16830%0.304CS..Hα-helixtrans-60.3-49.5172-73.7179.7-51.400111.4Y65 F98 N99 L104 M105 Q106Y65-Q102 HydrophobicContact CE2-CG 3.92Å; F98-Q102 HydrophobicContact CE1-CG 4.17Å; F98-Q102 HydrophobicContact CZ-CG 4.31Å; F98-Q102 PolarHBondContact O-N 3.4Å; N99-Q102 PolarHBondContact O-N 2.67Å; Q102-L104 VanDerWaalsContact C-N 3.31Å; Q102-L104 PolarHBondContact O-N 2.86Å; Q102-M105 PolarHBondContact O-N 3.08Å; Q102-Q106 WeakPolarHBondContact O-CG 3.33Å; Q102-Q106 PolarHBondContact O-N 2.67Å
103D90.9Very high86.1Confident97 Ų9753.6 Ų53.652%0.51929%0.291SS..Hα-helixtrans-56.4-44.2177.1-87.1-7.9000111.9N99 L100 Q106 C107N99-D103 PolarHBondContact O-N 2.9Å; L100-D103 PolarHBondContact O-N 3.17Å; D103-Q106 PolarHBondContact O-N 3.22Å; D103-C107 WeakPolarHBondContact O-CB 3.35Å; D103-C107 PolarHBondContact O-N 2.98Å; D103-C107 PolarHBondContact O-SG 2.89Å
104L91.2Very high84.6Confident16 Ų1658.8 Ų58.88%0.08432%0.316CS..Hα-helixtrans-71.1-38.1-179.2-70.8169.2000112.5L40 T41 Y59 L100 L101 Q102 N108L40-L104 HydrophobicContact CB-CD1 3.92Å; L40-L104 HydrophobicContact CD2-CD1 4.31Å; T41-L104 WeakPolarHBondContact O-CD1 3.34Å; Y59-L104 HydrophobicContact CE2-CB 4.26Å; L100-L104 HydrophobicContact CD1-CD1 3.99Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.5Å; L100-L104 WeakPolarHBondContact O-CD1 3.2Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 2.84Å; L101-L104 PolarHBondContact O-N 3.28Å; Q102-L104 VanDerWaalsContact C-N 3.31Å; Q102-L104 PolarHBondContact O-N 2.86Å; L104-N108 VanDerWaalsContact O-CB 3.3Å; L104-N108 WeakPolarHBondContact O-CB 3.49Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.05Å
105M89.2Confident82.5Confident0 Ų064.8 Ų64.80%034%0.344CS..Hα-helixtrans-60.3-47172.4-72.7-77.6179.200111.1Y59 L62 Y65 L101 Q102 N108 S109 I110 V112 T198Y59-M105 HydrophobicContact CD1-CE 3.92Å; Y59-M105 HydrophobicContact CG-CE 4.14Å; L62-M105 HydrophobicContact CB-CE 4.26Å; L62-M105 HydrophobicContact CD1-CE 3.84Å; L62-M105 HydrophobicContact CG-CE 4.42Å; Y65-M105 HydrophobicContact CD1-CE 4.14Å; Y65-M105 HydrophobicContact CE1-CE 4Å; Y65-M105 HydrophobicContact CE1-CG 4.03Å; Y65-M105 HydrophobicContact CE1-SD 4.47Å; L101-M105 HydrophobicContact CD1-CE 3.95Å; L101-M105 HydrophobicContact CD1-CG 4.4Å; L101-M105 HydrophobicContact CG-CE 4.37Å; L101-M105 HydrophobicContact CG-CG 4.48Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 WeakPolarHBondContact O-CG 2.91Å; L101-M105 PolarHBondContact O-N 2.87Å; Q102-M105 PolarHBondContact O-N 3.08Å; M105-N108 CarbonylContact O-C 3.58Å; M105-N108 PolarHBondContact O-N 2.94Å; M105-S109 PolarHBondContact O-N 2.91Å; M105-I110 HydrophobicContact CB-CB 4.44Å; M105-I110 PolarHBondContact O-N 2.82Å; M105-I110 HydrophobicContact SD-CB 3.94Å; M105-I110 HydrophobicContact SD-CD1 3.65Å; M105-I110 HydrophobicContact SD-CG1 4.37Å; M105-I110 HydrophobicContact SD-CG2 3.77Å; M105-V112 HydrophobicContact CB-CG2 3.79Å; M105-V112 HydrophobicContact CG-CG2 4.28Å; M105-T198 HydrophobicContact CE-CG2 4.1Å; M105-T198 HydrophobicContact SD-CG2 4.1Å
106Q85.4Confident80.3Confident132 Ų13264.5 Ų64.562%0.61735%0.352SS*.Hα-helixtrans-63.7-47.6177.7-70.1175.955.100112.1Q102 D103 N108 S109Q102-Q106 WeakPolarHBondContact O-CG 3.33Å; Q102-Q106 PolarHBondContact O-N 2.67Å; D103-Q106 PolarHBondContact O-N 3.22Å; Q106-N108 PolarHBondContact O-N 3.14Å; Q106-S109 PolarHBondContact O-N 3.44Å
107C82Confident78.3Confident94 Ų9463.4 Ų63.464%0.63535%0.351SS*.Hα-helixtrans-60.1-32.1177-72.50000112.7D103 S109D103-C107 WeakPolarHBondContact O-CB 3.35Å; D103-C107 PolarHBondContact O-N 2.98Å; D103-C107 PolarHBondContact O-SG 2.89Å; C107-S109 VanDerWaalsContact C-N 3.26Å; C107-S109 PolarHBondContact O-N 2.9Å
108N80.1Confident76.1Confident54 Ų5467.9 Ų67.929%0.28938%0.378SS..THydrogen-bonded Turntrans-84.55.3176.2-65.9-25.8000113.6Q42 Y59 L104 M105 Q106 I110Q42-N108 PolarHBondContact NE2-OD1 3.23Å; Q42-N108 PolarHBondContact O-ND2 3.38Å; Q42-N108 PolarHBondContact O-OD1 2.77Å; Y59-N108 WeakPolarHBondContact CD2-ND2 3.43Å; L104-N108 VanDerWaalsContact O-CB 3.3Å; L104-N108 WeakPolarHBondContact O-CB 3.49Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.05Å; M105-N108 CarbonylContact O-C 3.58Å; M105-N108 PolarHBondContact O-N 2.94Å; Q106-N108 PolarHBondContact O-N 3.14Å; N108-I110 HydrophobicContact CB-CD1 4.02Å; N108-I110 HydrophobicContact CB-CG1 3.97Å; N108-I110 PolarHBondContact O-N 2.81Å
109S78.6Confident73.9Confident105 Ų10572 Ų7273%0.73440%0.399SS*.THydrogen-bonded Turntrans55.532.3-176.4-55.10000114M105 Q106 C107M105-S109 PolarHBondContact O-N 2.91Å; Q106-S109 PolarHBondContact O-N 3.44Å; C107-S109 VanDerWaalsContact C-N 3.26Å; C107-S109 PolarHBondContact O-N 2.9Å
110I79.4Confident71.4Confident19 Ų1973.9 Ų73.910%0.09741%0.414CS..  trans-83.5118.6173.8-56.7177.5000107.2L60 M105 N108 V112L60-I110 HydrophobicContact CD2-CD1 3.81Å; L60-I110 HydrophobicContact CD2-CG1 3.78Å; L60-I110 HydrophobicContact CG-CD1 4.15Å; M105-I110 HydrophobicContact CB-CB 4.44Å; M105-I110 PolarHBondContact O-N 2.82Å; M105-I110 HydrophobicContact SD-CB 3.94Å; M105-I110 HydrophobicContact SD-CD1 3.65Å; M105-I110 HydrophobicContact SD-CG1 4.37Å; M105-I110 HydrophobicContact SD-CG2 3.77Å; N108-I110 HydrophobicContact CB-CD1 4.02Å; N108-I110 HydrophobicContact CB-CG1 3.97Å; N108-I110 PolarHBondContact O-N 2.81Å; I110-V112 PolarHBondContact O-N 2.94Å
111N70.4Confident69Low126 Ų12682.9 Ų82.967%0.67445%0.445SS*.  trans-67.2121.9178.3-75.1-34000110.1A199N111-A199 HydrophobicContact CB-CB 3.89Å; N111-A199 WeakPolarHBondContact O-CB 3.28Å; N111-A199 PolarHBondContact O-N 3.35Å
112V71Confident66.6Low47 Ų4790.4 Ų90.429%0.28549%0.485SS..EExtended strand (participates in β ladder)trans-111.3133.3178.1179.50000108.3M105 I110 V196M105-V112 HydrophobicContact CB-CG2 3.79Å; M105-V112 HydrophobicContact CG-CG2 4.28Å; I110-V112 PolarHBondContact O-N 2.94Å; V112-V196 HydrophobicContact CG1-CG1 3.16Å
113V61.2Low63.8Low72 Ų7293.7 Ų93.744%0.43651%0.512SS..EExtended strand (participates in β ladder)trans-113.1103.4176.4-179.80000108.5E115 N197 A199V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 HydrophobicContact CG1-CG 4.27Å; V113-E115 PolarHBondContact O-N 3.15Å; V113-E115 VanDerWaalsContact O-N 3.11Å; V113-N197 PolarHBondContact N-O 3.48Å; V113-N197 PolarHBondContact O-N 3.39Å; V113-N197 VanDerWaalsContact O-N 3.14Å; V113-A199 HydrophobicContact CG2-CB 4.28Å
114E57.8Low61Low132 Ų13297.5 Ų97.562%0.61753%0.526SS*.  trans-83.374.4176.7-169.7165.4-164.500110.3V196E114-V196 HydrophobicContact CB-CG1 4.36Å; E114-V196 HydrophobicContact CG-CG2 4.21Å
115E50.2Low58.3Low125 Ų125102.6 Ų102.658%0.58456%0.561SS**  trans-90.9120.4157.1-78.3-167137.700108.5V113 V117V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 HydrophobicContact CG1-CG 4.27Å; V113-E115 PolarHBondContact O-N 3.15Å; V113-E115 VanDerWaalsContact O-N 3.11Å; E115-V117 VanDerWaalsContact C-N 3.31Å; E115-V117 HydrophobicContact CB-CG2 4.36Å; E115-V117 PolarHBondContact O-N 3.41Å
116P45.4Very low55.5Low104 Ų104108.7 Ų108.768%0.67560%0.598SS**  trans-73.983.3178.929.7-34.7000110.8V118P116-V118 PolarHBondContact O-N 3.5Å
117V51.9Low53.2Low64 Ų64111.5 Ų111.539%0.38861%0.611SS.*  trans-78.687.4177.5-174.60000109.7E115 I119E115-V117 VanDerWaalsContact C-N 3.31Å; E115-V117 HydrophobicContact CB-CG2 4.36Å; E115-V117 PolarHBondContact O-N 3.41Å; V117-I119 HydrophobicContact CG1-CG1 4.05Å; V117-I119 PolarHBondContact O-N 3.49Å; V117-I119 VanDerWaalsContact O-N 3.13Å
118V47.3Very low50.9Low94 Ų94118.2 Ų118.257%0.5762%0.623SS**  trans-69.5103.6171.6-178.80000109.2P116 T120P116-V118 PolarHBondContact O-N 3.5Å; V118-T120 VanDerWaalsContact C-N 3.34Å; V118-T120 PolarHBondContact O-N 3.02Å
119I47.5Very low48.4Very low94 Ų94124.2 Ų124.248%0.48265%0.649SS.*  trans-83.576.2-179-50.2-179.4000110.2V117 R121 Y195V117-I119 HydrophobicContact CG1-CG1 4.05Å; V117-I119 PolarHBondContact O-N 3.49Å; V117-I119 VanDerWaalsContact O-N 3.13Å; I119-R121 PolarHBondContact O-N 3.06Å; I119-Y195 HydrophobicContact CD1-CD2 3.85Å; I119-Y195 HydrophobicContact CD1-CE2 3.86Å; I119-Y195 HydrophobicContact CG1-CD2 4.28Å; I119-Y195 HydrophobicContact CG1-CE2 4.48Å
120T40.9Very low46.2Very low104 Ų104127.3 Ų127.364%0.63866%0.657SS**  trans-64.1124.5164.9-32.20000108.6V118 N122V118-T120 VanDerWaalsContact C-N 3.34Å; V118-T120 PolarHBondContact O-N 3.02Å; T120-N122 PolarHBondContact O-N 3.26Å
121R43.8Very low43.5Very low225 Ų225132.2 Ų132.285%0.84969%0.693SS**SBendtrans-62.15.3-168.7-97.6178.3167.9171.6-6.1117I119I119-R121 PolarHBondContact O-N 3.06Å
122N42.9Very low41.6Very low159 Ų159137.7 Ų137.785%0.8570%0.704SS**  trans-118.556.4-175.2-79.248.2000113.6T120T120-N122 PolarHBondContact O-N 3.26Å
123S33.3Very low39.6Very low104 Ų104141 Ų14173%0.72772%0.724SS**  trans-138.9116.8161.952.90000111.8
124H30.8Very low38.2Very low177 Ų177143.7 Ų143.782%0.81974%0.744SS**  trans-71.1141.4165.3-77.2-84.7000109.3T126H124-T126 VanDerWaalsContact C-N 3.33Å; H124-T126 PolarHBondContact O-N 2.91Å
125P35.8Very low36.9Very low124 Ų124146.4 Ų146.481%0.80576%0.756SS**  trans-75.584.9175.231.5-34.4000110.3E127P125-E127 PolarHBondContact O-N 3.43Å
126T29.4Very low35.9Very low128 Ų128144.8 Ų144.879%0.78576%0.764SS**  trans-63.1127.8165.7-49.20000108.7H124 R128H124-T126 VanDerWaalsContact C-N 3.33Å; H124-T126 PolarHBondContact O-N 2.91Å; T126-R128 PolarHBondContact O-N 3.15Å
127E37.7Very low35.4Very low190 Ų190145.8 Ų145.889%0.88877%0.771SS**  trans-53.2128.1-175.7-66178.993.300112.2P125P125-E127 PolarHBondContact O-N 3.43Å
128R34Very low34.4Very low236 Ų236150.9 Ų150.989%0.89180%0.796SS**  trans-12973.9169.8-130.5177.6-176.7-178.30.6112.7T126T126-R128 PolarHBondContact O-N 3.15Å
129E27.2Very low33.5Very low179 Ų179151.7 Ų151.784%0.83681%0.806SS**  trans52.7107.1138-155.9171.1178.200117.9S131E129-S131 PolarHBondContact O-N 3.36Å
130L31.6Very low33Very low171 Ų171155.2 Ų155.290%0.89583%0.825SS**  trans-58.5124.7175.5-69.4156.5000112R132L130-R132 PolarHBondContact O-N 3.36Å
131S24.4Very low32.4Very low122 Ų122154.1 Ų154.185%0.85383%0.834SS**  trans-65.799.2176.640.60000112E129E129-S131 PolarHBondContact O-N 3.36Å
132R30.6Very low31.9Very low240 Ų240153.1 Ų153.191%0.90683%0.832SS**PPolyproline II helixtrans-78.3130.4-178.4-163.5174.1-171.7172.12.4111.9L130L130-R132 PolarHBondContact O-N 3.36Å
133T28.6Very low31.4Very low117 Ų117151.9 Ų151.972%0.71883%0.83SS**PPolyproline II helixtrans-71.7145.4179.646.70000113
134P31.6Very low31.4Very low129 Ų129153 Ų15384%0.83883%0.832SS**PPolyproline II helixtrans-80.8120.7171.631.5-31.9000110.8
135Q30.7Very low32.1Very low188 Ų188150.8 Ų150.888%0.87983%0.834SS**PPolyproline II helixtrans-89.2151.9168-74.2-170.9-51.400111.5
136A29.2Very low31.7Very low92 Ų92148.2 Ų148.276%0.7683%0.829SS**PPolyproline II helixtrans-76.1154.4-177.400000113
137P35.2Very low31.6Very low124 Ų124151.8 Ų151.881%0.80584%0.835SS**PPolyproline II helixtrans-83.5131.2179.332.7-33.5000112.5
138N29.8Very low32Very low171 Ų171147.6 Ų147.691%0.91482%0.824SS**PPolyproline II helixtrans-100.7155.2162.7-84.6-9.6000110.5
139S29.3Very low31.8Very low112 Ų112144.4 Ų144.478%0.78382%0.824SS**  trans-115.3157-161.558.90000115.5
140L37.5Very low31.8Very low168 Ų168139.6 Ų139.688%0.8882%0.823SS**  trans60.5125.7152-127.475.9000120.3
141G27.1Very low31.8Very low81 Ų81140.9 Ų140.984%0.83582%0.822SS**  trans-167.7104.3165.100000110.5
142Y34.3Very low32.1Very low203 Ų203143.4 Ų143.480%0.79682%0.82SS**  trans-88.6140.6-175-121-97.7000111.5
143T30.9Very low31.9Very low134 Ų134136.8 Ų136.882%0.82281%0.81SS**  179.4149.1118.325.30000112.8
144V34.6Very low32.2Very low126 Ų126140.9 Ų140.976%0.76482%0.818SS**  trans-132.6151.4163.6-147.70000105.7
145P45.2Very low32.6Very low132 Ų132140.8 Ų140.886%0.85782%0.817SS**  -150.5157.396.237.6-20.6000115.3
146G26.2Very low32.5Very low69 Ų69136 Ų13671%0.71181%0.81SS**  trans157.399.4166.800000116.1
147F28.1Very low32.7Very low204 Ų204139.5 Ų139.590%0.89581%0.81SS**  trans-96.5-176.3166.1-69.3-83.2000109.8
148P45.8Very low32.4Very low102 Ų102140 Ų14066%0.66281%0.811SS**  cis-137.9175.2-2.520.95.4000117.2
149N30.6Very low32.5Very low168 Ų168139 Ų13990%0.89881%0.806SS**  trans64.1145.5144.8-66.6-3.5000123.2
150G27.3Very low32.5Very low78 Ų78138.8 Ų138.880%0.80480%0.804SS**  trans156.290.616000000115
151F31.3Very low32.2Very low199 Ų199141.4 Ų141.487%0.87380%0.803SS**  trans-94.2173.8168.9-103.3-88.1000111.8
152H31.1Very low32.1Very low175 Ų175143.3 Ų143.381%0.8180%0.803SS**  trans102.6147.4169-61.1-63.4000115.6
153S25Very low31.9Very low100 Ų100140.8 Ų140.870%0.69981%0.808SS**  cis178.6148.6-21.9-91.70000103.8
154F34.8Very low31.9Very low204 Ų204138.5 Ų138.590%0.89580%0.803SS**  trans-67.2161.3174.2-55-87.7000111.7
155P40.9Very low31.9Very low126 Ų126143.3 Ų143.382%0.81881%0.808SS**  -140.4-170.692.338.8-24.1000114.9
156A28.8Very low31.9Very low87 Ų87143 Ų14372%0.71981%0.806SS**  trans-80.3-169-179.800000111.9
157E32.5Very low32.9Very low166 Ų166144.7 Ų144.778%0.77680%0.804SS**  cis-169.2164.226.4-163.1168.9-133.300112.2
158T28.9Very low32.9Very low134 Ų134140.2 Ų140.282%0.82280%0.798SS**  trans151.8161.7136.648.50000114.3
159L32.8Very low32.3Very low152 Ų152142.1 Ų142.180%0.79681%0.808SS**  trans-92.4165.2-158-71.165.2000115
160S28.4Very low32.1Very low106 Ų106139.6 Ų139.674%0.74180%0.803SS**  -165.6130.3123.7-89.10000116.1
161Y31.5Very low32.4Very low224 Ų224140.8 Ų140.888%0.87880%0.799SS**  trans62.2135161.7-69-73.6000123.4
162C25.8Very low32.5Very low121 Ų121138.5 Ų138.582%0.81880%0.795SS**  trans-125.6158.5169.7-610000110.4
163T28.8Very low32.8Very low149 Ų149139.1 Ų139.191%0.91479%0.79SS**  trans-167.5157145-770000108.5
164A30.8Very low33Very low87 Ų87141.8 Ų141.872%0.71979%0.792SS**  trans-134.9152.7-16800000115.2
165R35.5Very low32.8Very low226 Ų226137.2 Ų137.285%0.85379%0.785SS**  trans35138.8146.3-79.9-174.5173.8-172.5-1.2120.8
166P44.3Very low32.7Very low127 Ų127136.6 Ų136.683%0.82578%0.784SS**  -139.4166.189.239.7-28.5000116.2
167P47.9Very low33Very low104 Ų104139 Ų13968%0.67579%0.789SS**  trans-112.5157.6173.540-31.2000114.9
168S28.7Very low33.2Very low109 Ų109134.2 Ų134.276%0.76278%0.784SS**  trans-161.9114165.9-76.80000109.7
169V33.7Very low33.4Very low143 Ų143137.4 Ų137.487%0.86779%0.79SS**  77.8105.273.9-60.80000117.4
170S26.4Very low33.5Very low115 Ų115136.4 Ų136.480%0.80479%0.785SS**  trans169.5121133.6-1650000107.4
171S31.7Very low33.7Very low103 Ų103136.9 Ų136.972%0.7279%0.789SS**  cis99.4146.834.4-165.30000113
172L34.3Very low34.2Very low150 Ų150132.5 Ų132.579%0.78579%0.785SS**  trans81.8144.2-171.4-51.6172.6000116.5
173R37.3Very low34.6Very low189 Ų189135.6 Ų135.671%0.71379%0.787SS**  cis178.8139.3-41.7-116.8-177.9-175.2-134.210.2108.5
174H30.3Very low34.8Very low156 Ų156132.3 Ų132.372%0.72278%0.775SS**  trans64.5159.5162.3-57.3-48000116.3
175S29.3Very low35.4Very low108 Ų108136.6 Ų136.676%0.75579%0.785SS**  cis-154.4164.9-25.5-175.40000109
176S39.3Very low35.6Very low113 Ų113133.5 Ų133.579%0.7978%0.784SS**  trans-78.9118.5167.5172.50000111.8
177V35.2Very low35.5Very low136 Ų136130.7 Ų130.782%0.82478%0.778SS**  trans-154.8152.8148.2-76.30000106
178G37.1Very low35.4Very low66 Ų66131.3 Ų131.368%0.6878%0.782SS**  cis110.365.42.100000113.2
179E32.8Very low36Very low202 Ų202132.8 Ų132.894%0.94478%0.781SS**  trans-172.5172.5153.2-110.2170.6139.600111.6
180D35.3Very low36.7Very low131 Ų131134.8 Ų134.870%0.70178%0.781SS**  trans-54.3149.8-168.2-106.3-104.1000117.4
181S31.9Very low37.9Very low116 Ų116134 Ų13481%0.81177%0.765SS**  trans-146.888.5150-78.50000109.5H183S181-H183 PolarHBondContact O-N 3.14Å
182T41.7Very low39.2Very low131 Ų131132.1 Ų132.180%0.80475%0.752SS**  trans-60.696.9170.727.40000110.3
183H35.2Very low41.2Very low186 Ų186128.2 Ų128.286%0.86173%0.729SS**  trans-95.8137.5171.7-139.3-84.5000111S181S181-H183 PolarHBondContact O-N 3.14Å
184A32.6Very low43.4Very low80 Ų80121.7 Ų121.766%0.66171%0.71SS**  trans-79.4152.2-159.300000115.3I186A184-I186 PolarHBondContact O-N 2.8Å; A184-I186 VanDerWaalsContact O-N 3.14Å
185L42.4Very low46Very low178 Ų178115.8 Ų115.893%0.93268%0.682SS**  trans-14.697.9158.4-62.8166.3000115.9
186I39.3Very low48.7Very low161 Ų161110.7 Ų110.783%0.82665%0.646SS**  trans-139.1112.8147.9-55.3-179.5000107.2A184A184-I186 PolarHBondContact O-N 2.8Å; A184-I186 VanDerWaalsContact O-N 3.14Å
187G43.8Very low50.9Low68 Ų68107.4 Ų107.470%0.70162%0.62SS**PPolyproline II helixtrans-103.6139.8162.100000109.7
188P45.2Very low53Low116 Ų116101.6 Ų101.675%0.75359%0.585SS**PPolyproline II helixtrans-79.4146.4136.434.4-27.7000109.1
189D41.4Very low54.4Low140 Ų140100.6 Ų100.675%0.74957%0.57SS**PPolyproline II helixtrans-59.7143.4161.8-85-84.4000109.9Q191D189-Q191 PolarHBondContact O-N 2.94Å
190E48.1Very low55.1Low185 Ų18596.4 Ų96.486%0.86455%0.554SS**  trans-74.673.1171.1-72.6-168.994.900109.8S192E190-S192 WeakPolarHBondContact O-CB 3.5Å; E190-S192 PolarHBondContact O-N 2.8Å; E190-S192 PolarHBondContact O-OG 3.35Å
191Q51.6Low55.5Low100 Ų10094 Ų9447%0.46756%0.561SS.*  trans-66.771.3178.2-14273.971.300110.2D68 S69 D189 H193D68-Q191 PolarHBondContact OD1-NE2 3.4Å; D68-Q191 WeakPolarHBondContact OD2-CG 3.3Å; S69-Q191 PolarHBondContact OG-NE2 3.15Å; S69-Q191 VanDerWaalsContact OG-NE2 3.14Å; D189-Q191 PolarHBondContact O-N 2.94Å; Q191-H193 PolarHBondContact O-N 3.33Å; Q191-H193 VanDerWaalsContact O-N 3.07Å
192S58.8Low55.9Low63 Ų6395.8 Ų95.844%0.44156%0.561SS.*  trans-88.377-163.436.50000110.5E190 T194E190-S192 WeakPolarHBondContact O-CB 3.5Å; E190-S192 PolarHBondContact O-N 2.8Å; E190-S192 PolarHBondContact O-OG 3.35Å; S192-T194 PolarHBondContact O-N 3.33Å; S192-T194 PolarHBondContact O-OG1 3.34Å; S192-T194 VanDerWaalsContact O-OG1 3.08Å
193H76.4Confident55.7Low67 Ų6798.6 Ų98.631%0.3157%0.565SS.*  trans-49.4102.8172.9-60.2-62.7000110.9D68 Q191 Y195D68-H193 WeakPolarHBondContact CB-ND1 3.49Å; D68-H193 IonicContact OD2-CE1 3.43Å; D68-H193 PolarHBondContact OD2-CE1 3.32Å; D68-H193 IonicContact OD2-ND1 3.35Å; Q191-H193 PolarHBondContact O-N 3.33Å; Q191-H193 VanDerWaalsContact O-N 3.07Å; H193-Y195 HydrophobicContact CB-CD2 4.33Å; H193-Y195 HydrophobicContact CB-CE2 3.75Å; H193-Y195 WeakPolarHBondContact O-CD2 3.45Å; H193-Y195 PolarHBondContact O-N 3.44Å
194T83.8Confident55.7Low52 Ų5298 Ų9832%0.31956%0.562SS.*EExtended strand (participates in β ladder)trans-88111.8-174.2-68.10000108.4G66 Y67 S192G66-T194 CarbonylContact C-O 3.47Å; G66-T194 WeakPolarHBondContact CA-O 3.5Å; Y67-T194 PolarHBondContact N-O 3.36Å; Y67-T194 PolarHBondContact O-N 2.94Å; S192-T194 PolarHBondContact O-N 3.33Å; S192-T194 PolarHBondContact O-OG1 3.34Å; S192-T194 VanDerWaalsContact O-OG1 3.08Å
195Y85.6Confident56.2Low33 Ų33103.1 Ų103.113%0.12958%0.578CS.*EExtended strand (participates in β ladder)trans-105.3142178.8-74.4-82.4000111.7R64 S73 I119 H193R64-Y195 HydrophobicContact CG-CD1 4.19Å; S73-Y195 WeakPolarHBondContact OG-CE1 3.42Å; S73-Y195 PolarHBondContact OG-OH 3.48Å; I119-Y195 HydrophobicContact CD1-CD2 3.85Å; I119-Y195 HydrophobicContact CD1-CE2 3.86Å; I119-Y195 HydrophobicContact CG1-CD2 4.28Å; I119-Y195 HydrophobicContact CG1-CE2 4.48Å; H193-Y195 HydrophobicContact CB-CD2 4.33Å; H193-Y195 HydrophobicContact CB-CE2 3.75Å; H193-Y195 WeakPolarHBondContact O-CD2 3.45Å; H193-Y195 PolarHBondContact O-N 3.44Å
196V85Confident55.7Low1 Ų1105.1 Ų105.11%0.00657%0.573CS.*EExtended strand (participates in β ladder)trans-126.7129.8177.7177.50000108.9R64 Y65 F98 V112 E114R64-V196 CarbonylContact C-O 3.51Å; R64-V196 WeakPolarHBondContact CA-O 3.38Å; R64-V196 WeakPolarHBondContact CB-O 3.33Å; Y65-V196 HydrophobicContact CE2-CB 4.28Å; Y65-V196 HydrophobicContact CE2-CG1 4.48Å; Y65-V196 PolarHBondContact N-O 2.67Å; Y65-V196 PolarHBondContact O-N 3.09Å; F98-V196 HydrophobicContact CE2-CB 4.41Å; F98-V196 HydrophobicContact CE2-CG2 3.84Å; F98-V196 HydrophobicContact CZ-CG2 3.68Å; V112-V196 HydrophobicContact CG1-CG1 3.16Å; E114-V196 HydrophobicContact CB-CG1 4.36Å; E114-V196 HydrophobicContact CG-CG2 4.21Å
197N85.9Confident55.6Low44 Ų44100.9 Ų100.924%0.23557%0.569CS.*EExtended strand (participates in β ladder)trans-92.3139.8-173.9-63.1-59.2000111.2V113V113-N197 PolarHBondContact N-O 3.48Å; V113-N197 PolarHBondContact O-N 3.39Å; V113-N197 VanDerWaalsContact O-N 3.14Å
198T80Confident55.1Low14 Ų14108.7 Ų108.79%0.08658%0.577CS.*EExtended strand (participates in β ladder)trans-89.6135.8166.453.80000109.3L62 R63 Y65 M105 N200L62-T198 PolarHBondContact O-OG1 2.66Å; R63-T198 WeakPolarHBondContact CA-OG1 3.39Å; R63-T198 PolarHBondContact O-N 3.04Å; R63-T198 PolarHBondContact O-OG1 3Å; R63-T198 VanDerWaalsContact O-OG1 3.08Å; Y65-T198 HydrophobicContact CD1-CG2 4.19Å; Y65-T198 HydrophobicContact CE1-CG2 3.93Å; M105-T198 HydrophobicContact CE-CG2 4.1Å; M105-T198 HydrophobicContact SD-CG2 4.1Å; T198-N200 PolarHBondContact O-N 2.97Å
199A65Low54.6Low45 Ų45112.1 Ų112.137%0.37258%0.583SS.*PPolyproline II helixtrans-73.2119.6177.400000109.8N111 V113 G201N111-A199 HydrophobicContact CB-CB 3.89Å; N111-A199 WeakPolarHBondContact O-CB 3.28Å; N111-A199 PolarHBondContact O-N 3.35Å; V113-A199 HydrophobicContact CG2-CB 4.28Å; A199-G201 PolarHBondContact O-N 3.28Å
200N47.7Very low54.1Low114 Ų114110.3 Ų110.361%0.6158%0.58SS**PPolyproline II helixtrans-60.8135.1165.3-63.2-51.3000108.5T198 D202T198-N200 PolarHBondContact O-N 2.97Å; N200-D202 PolarHBondContact O-N 3.23Å
201G44.1Very low53.2Low81 Ų81109.7 Ų109.784%0.83558%0.579SS**SBendtrans-67.514.4-174.300000116.7A199A199-G201 PolarHBondContact O-N 3.28Å
202D40.2Very low52.2Low153 Ų153112.9 Ų112.982%0.81859%0.594SS**  trans-12153.2-175.3-68.7-69.2000110.9N200N200-D202 PolarHBondContact O-N 3.23Å
203Q38.2Very low50.7Low190 Ų190116.5 Ų116.589%0.88861%0.613SS**SBendtrans-147144.3163.1-147.3149.4117.200113
204E35.2Very low48.6Very low173 Ų173120.7 Ų120.781%0.80864%0.637SS**  trans-66.7150.5-164.1-89.617366.800116.2R206E204-R206 VanDerWaalsContact C-N 3.3Å; E204-R206 PolarHBondContact O-N 3.04Å
205L43.3Very low46.3Very low187 Ų187123.4 Ų123.498%0.97966%0.656SS**  trans-64.481.9164.4-75.5163.8000111.7
206R31.6Very low43.8Very low220 Ų220129.7 Ų129.783%0.8369%0.686SS**  trans-122.677.6166-174.6172.4-78.3-971.6110.5E204E204-R206 VanDerWaalsContact C-N 3.3Å; E204-R206 PolarHBondContact O-N 3.04Å
207G36.9Very low41.2Very low72 Ų72135.7 Ų135.774%0.74272%0.723SS**  trans-66.5160.1-175.800000114.9
208R33Very low38.6Very low233 Ų233141 Ų14188%0.87975%0.745SS**  trans-131132157.7-74.9-170.3168.7-144.6-3108.6C210R208-C210 PolarHBondContact O-N 3.43Å
209H33.9Very low36.4Very low188 Ų188145.5 Ų145.587%0.8778%0.775SS**  trans-80.8107.8173.3-63.6-89.7000109.2M211H209-M211 VanDerWaalsContact C-N 3.33Å; H209-M211 PolarHBondContact O-N 3.39Å
210C31.6Very low35.1Very low102 Ų102149 Ų14969%0.68979%0.794SS**  trans-81.378.4175.6-61.60000110.7R208 H212R208-C210 PolarHBondContact O-N 3.43Å; C210-H212 PolarHBondContact O-N 3.41Å
211M30Very low34.6Very low172 Ų172153.3 Ų153.385%0.84781%0.808SS**  trans-71.592.4168.2-73.7-64.7-64.100109.8H209H209-M211 VanDerWaalsContact C-N 3.33Å; H209-M211 PolarHBondContact O-N 3.39Å
212H30.9Very low34.2Very low166 Ų166155.4 Ų155.477%0.76981%0.807SS**  trans-87.9112.9169-79.7-83.3000110.6C210 L214C210-H212 PolarHBondContact O-N 3.41Å; H212-L214 PolarHBondContact O-N 3.31Å
213T27.4Very low33.6Very low140 Ų140157.3 Ų157.386%0.85981%0.81SS**PPolyproline II helixtrans-68.4119.4171.9-42.60000109.7
214L32.3Very low33.6Very low155 Ų155158.3 Ų158.381%0.81281%0.806SS**PPolyproline II helixtrans-82.3147.4169.8-82.9169000111H212H212-L214 PolarHBondContact O-N 3.31Å
215P34.8Very low33.3Very low109 Ų109157.4 Ų157.471%0.70881%0.807SS**PPolyproline II helixtrans-63.6147.9176.7-22.434.3000113.6V217P215-V217 PolarHBondContact O-N 2.87Å
216E33.6Very low32.9Very low165 Ų165155.7 Ų155.777%0.77179%0.793SS**  trans-73.1115.6176.9-171.2-174.3147.300111.2H218E216-H218 IonicContact OE1-CE1 3.13Å; E216-H218 PolarHBondContact OE1-CE1 3.47Å; E216-H218 IonicContact OE1-ND1 3.11Å; E216-H218 PolarHBondContact OE1-ND1 3.11Å; E216-H218 VanDerWaalsContact OE1-ND1 3.11Å
217V30.2Very low32.6Very low127 Ų127151 Ų15177%0.7779%0.794SS**  trans-123.6109.8171.4-179.60000108.7P215 P219P215-V217 PolarHBondContact O-N 2.87Å; V217-P219 WeakPolarHBondContact O-CD 3.46Å
218H31.3Very low32.3Very low154 Ų154153.7 Ų153.771%0.71380%0.8SS**PPolyproline II helixtrans-74.9120.4175-97.582.4000111E216E216-H218 IonicContact OE1-CE1 3.13Å; E216-H218 PolarHBondContact OE1-CE1 3.47Å; E216-H218 IonicContact OE1-ND1 3.11Å; E216-H218 PolarHBondContact OE1-ND1 3.11Å; E216-H218 VanDerWaalsContact OE1-ND1 3.11Å
219P33.8Very low32.4Very low110 Ų110147 Ų14771%0.71479%0.789SS**PPolyproline II helixtrans-85.4141.516733.9-32000111.1V217V217-P219 WeakPolarHBondContact O-CD 3.46Å
220P36.2Very low32.8Very low118 Ų118144.8 Ų144.877%0.76678%0.783SS**PPolyproline II helixtrans-73.7152.4170.431.3-34.3000111.8P222P220-P222 WeakPolarHBondContact O-CD 3.43Å
221F37.5Very low33.4Very low205 Ų205147.5 Ų147.590%0.89979%0.786SS**PPolyproline II helixtrans-61.7128.7-178.6-62.4-89000113.3
222P36.3Very low34.2Very low124 Ų124145.8 Ų145.881%0.80578%0.78SS**PPolyproline II helixtrans-86144.7163.533.6-31.9000111.4P220P220-P222 WeakPolarHBondContact O-CD 3.43Å
223H28.5Very low35.2Very low193 Ų193144 Ų14489%0.89477%0.766SS**PPolyproline II helixtrans-77.7146.8175.9-84.3-101.6000113N225H223-N225 PolarHBondContact O-N 3.13Å
224R38.3Very low36.3Very low212 Ų212141.3 Ų141.380%0.875%0.747SS**PPolyproline II helixtrans-52118.1170.8175.6-166.8-173.6-168.94.9112.5
225N27.6Very low37.8Very low154 Ų154138.2 Ų138.282%0.82474%0.736SS**  trans-161.6157142.9-96.2-31000110.5H223H223-N225 PolarHBondContact O-N 3.13Å
226H34.5Very low38.9Very low151 Ų151137 Ų13770%0.69972%0.721SS**  trans-105.6121.1-164.5-61.9-90.7000113.5
227S26.8Very low40.7Very low122 Ų122133.2 Ų133.285%0.85371%0.709SS**  trans-144.6103.2161.9-70.30000108.7S229S227-S229 PolarHBondContact O-N 2.9Å
228C29Very low42.4Very low127 Ų127132 Ų13286%0.85869%0.693SS**  trans-87.2102.3-174.9-600000111.1
229S35.2Very low44Very low93 Ų93131.3 Ų131.365%0.6569%0.694SS**  trans-77.9144.3157.3-173.10000109.5S227S227-S229 PolarHBondContact O-N 2.9Å
230L43.6Very low45.2Very low142 Ų142133 Ų13374%0.74369%0.692SS**SBendtrans-94.9-5.1-173.3-155.6135.8000113
231E44.5Very low46.1Very low159 Ų159134.2 Ų134.274%0.74370%0.7SS**SBendtrans-86.3-18.2-166.6-62.9-175.2106.100114.6
232D45.2Very low47.1Very low136 Ų136128.4 Ų128.473%0.72770%0.698SS**  trans-112.586.4-177.6-173.525.8000112.8
233R53.3Low48.1Very low129 Ų129129.7 Ų129.749%0.48769%0.693SS.*  trans-13771.8172-74.2-111.869.5179.50.7110.3G249R233-G249 WeakPolarHBondContact O-CA 3.5Å
234D49Very low49.9Very low83 Ų83124.1 Ų124.144%0.44467%0.673SS.*  trans-70158.6168.8-95.7-13.1000112.9Q236 R255D234-Q236 PolarHBondContact O-N 2.78Å; D234-R255 IonicContact OD1-CZ 3.1Å; D234-R255 IonicContact OD1-NH1 3.35Å; D234-R255 PolarHBondContact OD1-NH1 3.14Å; D234-R255 IonicContact OD1-NH2 2.9Å; D234-R255 PolarHBondContact OD1-NH2 3.4Å
235P65.4Low51.4Low89 Ų89120.8 Ų120.858%0.57866%0.664SS**  trans-67.7126.5-171.226.8-34.6000111.9V247P235-V247 VanDerWaalsContact CA-O 3.3Å; P235-V247 WeakPolarHBondContact CA-O 3.35Å
236Q57.2Low53.5Low85 Ų85120.1 Ų120.140%0.39765%0.654SS.*EExtended strand (participates in β ladder)trans-123.1136-176.2-72.6172.3-14.100110.8D234 F238 V247D234-Q236 PolarHBondContact O-N 2.78Å; Q236-F238 HydrophobicContact CB-CD2 4.37Å; Q236-F238 HydrophobicContact CB-CE2 3.62Å; Q236-F238 HydrophobicContact CB-CZ 4.13Å; Q236-V247 HydrophobicContact CB-CB 4.46Å; Q236-V247 PolarHBondContact N-O 2.87Å; Q236-V247 PolarHBondContact O-N 3.05Å
237V71Confident55.3Low85 Ų85114.9 Ų114.952%0.51563%0.632SS.*EExtended strand (participates in β ladder)trans-113.3117.3175.7-173.90000108.5V244 F246V237-V244 HydrophobicContact CG1-CG1 3.81Å; V237-F246 HydrophobicContact CG1-CD1 4.03Å; V237-F246 HydrophobicContact CG1-CE1 3.89Å; V237-F246 HydrophobicContact CG2-CD1 3.8Å; V237-F246 HydrophobicContact CG2-CE1 4.11Å
238F65.9Low56.8Low101 Ų101116.3 Ų116.344%0.44363%0.63SS.*EExtended strand (participates in β ladder)trans-102.1119.1176.1-64.9-88.5000109.5Q236 K245 V247Q236-F238 HydrophobicContact CB-CD2 4.37Å; Q236-F238 HydrophobicContact CB-CE2 3.62Å; Q236-F238 HydrophobicContact CB-CZ 4.13Å; F238-K245 HydrophobicContact CB-CB 4.38Å; F238-K245 PolarHBondContact N-O 2.82Å; F238-K245 PolarHBondContact O-N 2.83Å; F238-V247 HydrophobicContact CD2-CG2 4.26Å; F238-V247 HydrophobicContact CE2-CG2 4.15Å
239L66.3Low58.4Low139 Ų139111.4 Ų111.473%0.72860%0.601SS**EExtended strand (participates in β ladder)trans-95.2123.9172.5-60.8173.1000108.5V244L239-V244 HydrophobicContact CD2-CB 4.29Å; L239-V244 HydrophobicContact CD2-CG1 3.8Å; L239-V244 HydrophobicContact CD2-CG2 3.68Å
240Q59Low60Low145 Ų145109.7 Ų109.768%0.67859%0.587SS**EExtended strand (participates in β ladder)trans-126.2159.7167.5-66.4-163.611.600110.1G242 E243Q240-G242 PolarHBondContact O-N 3.01Å; Q240-E243 PolarHBondContact N-O 2.85Å; Q240-E243 PolarHBondContact O-N 3.33Å; Q240-E243 VanDerWaalsContact O-N 3.16Å
241P54Low60.7Low145 Ų145107.3 Ų107.394%0.94258%0.579SS**THydrogen-bonded Turntrans-62.597.7179.3-22.535000111.8
242G59.5Low61.4Low82 Ų82103.9 Ų103.985%0.84557%0.572SS**THydrogen-bonded Turntrans111.4-17.5179.800000115.7Q240Q240-G242 PolarHBondContact O-N 3.01Å
243E57.3Low61.7Low151 Ų151102.3 Ų102.371%0.70657%0.568SS**EExtended strand (participates in β ladder)trans-138.2145.6-179.7-71.5-162.815500113.4Q240Q240-E243 PolarHBondContact N-O 2.85Å; Q240-E243 PolarHBondContact O-N 3.33Å; Q240-E243 VanDerWaalsContact O-N 3.16Å
244V66.3Low61.9Low77 Ų77102 Ų10247%0.46757%0.568SS.*EExtended strand (participates in β ladder)trans-118.9118.6171.8-176.60000109.2V237 L239 F246V237-V244 HydrophobicContact CG1-CG1 3.81Å; L239-V244 HydrophobicContact CD2-CB 4.29Å; L239-V244 HydrophobicContact CD2-CG1 3.8Å; L239-V244 HydrophobicContact CD2-CG2 3.68Å; V244-F246 HydrophobicContact CB-CE2 4.18Å; V244-F246 HydrophobicContact CB-CZ 4.47Å; V244-F246 HydrophobicContact CG1-CD2 4.23Å; V244-F246 HydrophobicContact CG1-CE1 4.16Å; V244-F246 HydrophobicContact CG1-CE2 3.56Å; V244-F246 HydrophobicContact CG1-CZ 3.51Å
245K69.3Low62.3Low141 Ų141103.8 Ų103.861%0.61357%0.568SS**EExtended strand (participates in β ladder)trans-110.8109.9-177.3-169.9169.4-172.7167.50111.2F238F238-K245 HydrophobicContact CB-CB 4.38Å; F238-K245 PolarHBondContact N-O 2.82Å; F238-K245 PolarHBondContact O-N 2.83Å
246F70.4Confident61.7Low141 Ų141105.8 Ų105.862%0.61857%0.569SS**EExtended strand (participates in β ladder)trans-87.2123.9174.7-57-89000110.2V237 V244V237-F246 HydrophobicContact CG1-CD1 4.03Å; V237-F246 HydrophobicContact CG1-CE1 3.89Å; V237-F246 HydrophobicContact CG2-CD1 3.8Å; V237-F246 HydrophobicContact CG2-CE1 4.11Å; V244-F246 HydrophobicContact CB-CE2 4.18Å; V244-F246 HydrophobicContact CB-CZ 4.47Å; V244-F246 HydrophobicContact CG1-CD2 4.23Å; V244-F246 HydrophobicContact CG1-CE1 4.16Å; V244-F246 HydrophobicContact CG1-CE2 3.56Å; V244-F246 HydrophobicContact CG1-CZ 3.51Å
247V73.5Confident61.6Low40 Ų40108.6 Ų108.624%0.24258%0.58CS.*EExtended strand (participates in β ladder)trans-107.2101.3168.9-178.70000107.2P235 Q236 F238P235-V247 VanDerWaalsContact CA-O 3.3Å; P235-V247 WeakPolarHBondContact CA-O 3.35Å; Q236-V247 HydrophobicContact CB-CB 4.46Å; Q236-V247 PolarHBondContact N-O 2.87Å; Q236-V247 PolarHBondContact O-N 3.05Å; F238-V247 HydrophobicContact CD2-CG2 4.26Å; F238-V247 HydrophobicContact CE2-CG2 4.15Å
248L57.7Low61Low153 Ų153107.1 Ų107.180%0.80157%0.571SS**PPolyproline II helixtrans-77.1132.2176.2-61.8177.1000110
249G63.8Low60.4Low24 Ų24110 Ų11025%0.24758%0.583CS.*PPolyproline II helixtrans-70.4167.8170.800000112.5R233R233-G249 WeakPolarHBondContact O-CA 3.5Å
250P68.2Low59.6Low56 Ų56112.5 Ų112.536%0.36458%0.583SS.*PPolyproline II helixtrans-62.2140.3179.225.7-33.8000111.8Y254 R255P250-Y254 HydrophobicContact CB-CD1 3.7Å; P250-Y254 HydrophobicContact CB-CE1 4.38Å; P250-Y254 HydrophobicContact CB-CG 4.32Å; P250-R255 HydrophobicContact CG-CG 4.37Å; P250-R255 PolarHBondContact O-NE 3.39Å
251T58.8Low59.2Low92 Ų92110.7 Ų110.756%0.56458%0.578SS**PPolyproline II helixtrans-61.2154.1-177.551.20000112.6T253 Y254 R255T251-T253 PolarHBondContact O-N 3.39Å; T251-T253 VanDerWaalsContact O-N 3.14Å; T251-T253 PolarHBondContact OG1-OG1 2.96Å; T251-Y254 WeakPolarHBondContact O-CA 3.32Å; T251-Y254 WeakPolarHBondContact O-CB 3.5Å; T251-Y254 PolarHBondContact O-N 2.87Å; T251-R255 PolarHBondContact O-N 2.8Å
252S57.4Low58.9Low87 Ų87106.2 Ų106.261%0.60855%0.55SS**Hα-helixtrans-56.2-31.8-177.953.70000113.9H256S252-H256 WeakPolarHBondContact O-CB 3.49Å; S252-H256 PolarHBondContact O-N 2.91Å; S252-H256 VanDerWaalsContact O-N 3.12Å; S252-H256 PolarHBondContact O-ND1 3.38Å; S252-H256 VanDerWaalsContact O-ND1 3.09Å
253T52.7Low58.2Low103 Ų103107.2 Ų107.263%0.63254%0.54SS*.Hα-helixtrans-71.2-27.8174.753.20000113.4T251T251-T253 PolarHBondContact O-N 3.39Å; T251-T253 VanDerWaalsContact O-N 3.14Å; T251-T253 PolarHBondContact OG1-OG1 2.96Å
254Y57.8Low57.7Low124 Ų124104.2 Ų104.249%0.48654%0.535SS..Hα-helixtrans-78.1-46.7172.8-172.8-91.2000111.1P250 T251 H256 K257 V258P250-Y254 HydrophobicContact CB-CD1 3.7Å; P250-Y254 HydrophobicContact CB-CE1 4.38Å; P250-Y254 HydrophobicContact CB-CG 4.32Å; T251-Y254 WeakPolarHBondContact O-CA 3.32Å; T251-Y254 WeakPolarHBondContact O-CB 3.5Å; T251-Y254 PolarHBondContact O-N 2.87Å; Y254-H256 PolarHBondContact O-N 3.06Å; Y254-K257 PolarHBondContact O-N 3.2Å; Y254-V258 HydrophobicContact CD1-CG2 4.04Å; Y254-V258 HydrophobicContact CE1-CG2 3.67Å; Y254-V258 PolarHBondContact O-N 3.48Å; Y254-V258 VanDerWaalsContact O-N 3.17Å
255R57Low56.6Low120 Ų120109.2 Ų109.245%0.45355%0.545SS..Hα-helixtrans-53.6-41.3174.9-63.4-165.7-170.6-149.72.7111.2D234 P250 T251 K257 V258 K259D234-R255 IonicContact OD1-CZ 3.1Å; D234-R255 IonicContact OD1-NH1 3.35Å; D234-R255 PolarHBondContact OD1-NH1 3.14Å; D234-R255 IonicContact OD1-NH2 2.9Å; D234-R255 PolarHBondContact OD1-NH2 3.4Å; P250-R255 HydrophobicContact CG-CG 4.37Å; P250-R255 PolarHBondContact O-NE 3.39Å; T251-R255 PolarHBondContact O-N 2.8Å; R255-K257 PolarHBondContact O-N 2.87Å; R255-V258 PolarHBondContact O-N 3.17Å; R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 PolarHBondContact O-N 3.45Å
256H53.1Low55.2Low130 Ų130108.8 Ų108.860%0.60255%0.545SS*.Hα-helixtrans-67-25.1176.2-90.896.6000115.8S252 Y254S252-H256 WeakPolarHBondContact O-CB 3.49Å; S252-H256 PolarHBondContact O-N 2.91Å; S252-H256 VanDerWaalsContact O-N 3.12Å; S252-H256 PolarHBondContact O-ND1 3.38Å; S252-H256 VanDerWaalsContact O-ND1 3.09Å; Y254-H256 PolarHBondContact O-N 3.06Å
257K53.8Low53.7Low145 Ų145110 Ų11063%0.6355%0.552SS**Hα-helixtrans-76.1-50.3172.6-77.5-169.5172.4-1690110.9Y254 R255 K259 R260 D261Y254-K257 PolarHBondContact O-N 3.2Å; R255-K257 PolarHBondContact O-N 2.87Å; K257-K259 VanDerWaalsContact C-N 3.28Å; K257-K259 PolarHBondContact O-N 3.14Å; K257-R260 WeakPolarHBondContact O-CA 3.16Å; K257-R260 VanDerWaalsContact O-CB 3.32Å; K257-R260 WeakPolarHBondContact O-CB 3.47Å; K257-R260 PolarHBondContact O-N 3.45Å; K257-D261 PolarHBondContact O-N 2.98Å
258V58.6Low52.2Low53 Ų53118.4 Ų118.432%0.32158%0.579SS.*Hα-helixtrans-57.3-42.1178.7-178.70000111.3Y254 R255 R260 D261 S262Y254-V258 HydrophobicContact CD1-CG2 4.04Å; Y254-V258 HydrophobicContact CE1-CG2 3.67Å; Y254-V258 PolarHBondContact O-N 3.48Å; Y254-V258 VanDerWaalsContact O-N 3.17Å; R255-V258 PolarHBondContact O-N 3.17Å; V258-R260 PolarHBondContact O-N 2.78Å; V258-D261 PolarHBondContact O-N 2.74Å; V258-S262 PolarHBondContact O-N 3.41Å; V258-S262 PolarHBondContact O-OG 3.44Å
259K54.3Low51.3Low161 Ų161116.3 Ų116.370%0.757%0.566SS**Hα-helixtrans-69.8-13.4176-161.5171.9-177.7-179.60114.3R255 K257 S262 V263R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 PolarHBondContact O-N 3.45Å; K257-K259 VanDerWaalsContact C-N 3.28Å; K257-K259 PolarHBondContact O-N 3.14Å; K259-S262 PolarHBondContact O-OG 3.48Å; K259-V263 WeakPolarHBondContact O-CG2 3.21Å
260R49.1Very low49.9Very low193 Ų193120.9 Ų120.973%0.72859%0.593SS**Hα-helixtrans-86.6-43.2168.8-116.3179.5174.4122.8-2.3111.1K257 V258 S262 V263 C264K257-R260 WeakPolarHBondContact O-CA 3.16Å; K257-R260 VanDerWaalsContact O-CB 3.32Å; K257-R260 WeakPolarHBondContact O-CB 3.47Å; K257-R260 PolarHBondContact O-N 3.45Å; V258-R260 PolarHBondContact O-N 2.78Å; R260-S262 VanDerWaalsContact C-N 3.35Å; R260-S262 PolarHBondContact O-N 2.95Å; R260-V263 PolarHBondContact O-N 2.7Å; R260-C264 PolarHBondContact O-N 3.02Å; R260-C264 PolarHBondContact O-SG 3.36Å
261D49.8Very low48.4Very low106 Ų106129.2 Ų129.257%0.56762%0.617SS**Hα-helixtrans-69.7-29.8-178.7-63.9-35.8000112.7K257 V258 C264 R265K257-D261 PolarHBondContact O-N 2.98Å; V258-D261 PolarHBondContact O-N 2.74Å; D261-C264 WeakPolarHBondContact O-CB 3.47Å; D261-C264 PolarHBondContact O-N 3.18Å; D261-R265 PolarHBondContact O-N 3.2Å
262S47.9Very low47.4Very low51 Ų51130 Ų13036%0.35762%0.622SS.*Hα-helixtrans-67.2-40.4173.761.70000112.9V258 K259 R260 C264 R265 H266V258-S262 PolarHBondContact O-N 3.41Å; V258-S262 PolarHBondContact O-OG 3.44Å; K259-S262 PolarHBondContact O-OG 3.48Å; R260-S262 VanDerWaalsContact C-N 3.35Å; R260-S262 PolarHBondContact O-N 2.95Å; S262-C264 PolarHBondContact O-N 3.26Å; S262-R265 WeakPolarHBondContact O-CB 3.3Å; S262-R265 PolarHBondContact O-N 2.85Å; S262-H266 PolarHBondContact O-N 2.96Å
263V45.8Very low46.3Very low103 Ų103133.8 Ų133.862%0.62463%0.629SS**Hα-helixtrans-61-36.4173.4175.80000111K259 R260 R265K259-V263 WeakPolarHBondContact O-CG2 3.21Å; R260-V263 PolarHBondContact O-N 2.7Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.44Å
264C45.4Very low45.3Very low89 Ų89138 Ų13860%0.60164%0.639SS**Hα-helixtrans-68.4-23.7174-66.30000114R260 D261 S262R260-C264 PolarHBondContact O-N 3.02Å; R260-C264 PolarHBondContact O-SG 3.36Å; D261-C264 WeakPolarHBondContact O-CB 3.47Å; D261-C264 PolarHBondContact O-N 3.18Å; S262-C264 PolarHBondContact O-N 3.26Å
265R44.1Very low43.9Very low182 Ų182138.8 Ų138.869%0.68766%0.661SS**Hα-helixtrans-72.2-50.2175.3-87.7-167.3176.1-166.91112.6D261 S262 V263 H267 R268 E269D261-R265 PolarHBondContact O-N 3.2Å; S262-R265 WeakPolarHBondContact O-CB 3.3Å; S262-R265 PolarHBondContact O-N 2.85Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.44Å; R265-H267 PolarHBondContact O-N 3.13Å; R265-R268 WeakPolarHBondContact O-CA 3.28Å; R265-R268 VanDerWaalsContact O-CB 3.28Å; R265-R268 WeakPolarHBondContact O-CB 3.48Å; R265-R268 PolarHBondContact O-N 3.47Å; R265-E269 PolarHBondContact O-N 2.85Å
266H39.5Very low42.7Very low131 Ų131137.5 Ų137.561%0.60668%0.676SS**Hα-helixtrans-60.1-31.9-175.7-74.1-22.7000113.3S262 R268 E269S262-H266 PolarHBondContact O-N 2.96Å; H266-R268 PolarHBondContact O-N 3.37Å; H266-E269 WeakPolarHBondContact CA-OE2 3.5Å; H266-E269 IonicContact CE1-OE2 3.21Å; H266-E269 IonicContact CG-OE2 2.8Å; H266-E269 IonicContact ND1-OE2 2.68Å; H266-E269 PolarHBondContact ND1-OE2 3.2Å; H266-E269 PolarHBondContact O-N 3.11Å
267H39Very low42.1Very low166 Ų166137 Ų13777%0.76969%0.685SS**Hα-helixtrans-65.4-20.4174.7-154-28.9000113.4R265R265-H267 PolarHBondContact O-N 3.13Å
268R41.8Very low41Very low217 Ų217136.7 Ų136.782%0.81969%0.69SS**Hα-helixtrans-87.5-22.6178.9-149.8175.2-167.6-179.23.4113.2R265 H266R265-R268 WeakPolarHBondContact O-CA 3.28Å; R265-R268 VanDerWaalsContact O-CB 3.28Å; R265-R268 WeakPolarHBondContact O-CB 3.48Å; R265-R268 PolarHBondContact O-N 3.47Å; H266-R268 PolarHBondContact O-N 3.37Å
269E38.8Very low39.8Very low110 Ų110140 Ų14051%0.51471%0.705SS.*Hα-helixtrans-84-24-174.4-69.8161.3161.300112.3R265 H266 R271R265-E269 PolarHBondContact O-N 2.85Å; H266-E269 WeakPolarHBondContact CA-OE2 3.5Å; H266-E269 IonicContact CE1-OE2 3.21Å; H266-E269 IonicContact CG-OE2 2.8Å; H266-E269 IonicContact ND1-OE2 2.68Å; H266-E269 PolarHBondContact ND1-OE2 3.2Å; H266-E269 PolarHBondContact O-N 3.11Å; E269-R271 VanDerWaalsContact C-N 3.27Å; E269-R271 PolarHBondContact O-N 3.5Å
270C35Very low39Very low120 Ų120139.1 Ų139.181%0.81171%0.709SS**THydrogen-bonded Turntrans-79.413.8179-59.10000115.8
271R36.6Very low38.4Very low230 Ų230136.4 Ų136.487%0.86871%0.709SS**THydrogen-bonded Turntrans-119.228.2-173.5-148.6-169.2179.1-165-1.2115.3E269E269-R271 VanDerWaalsContact C-N 3.27Å; E269-R271 PolarHBondContact O-N 3.5Å
272T38.8Very low38Very low110 Ų110140.1 Ų140.168%0.67572%0.723SS**  trans-128.665.8-177.553.50000113.7
273H33.7Very low37.1Very low165 Ų165144 Ų14476%0.76475%0.749SS**  trans-139.1128.9163.3-86-70.6000112.2
274F31.6Very low36.6Very low193 Ų193147.8 Ų147.885%0.84676%0.759SS**  trans57.397.4170.4-56.7-70.8000118.9
275C27.8Very low36.1Very low139 Ų139151 Ų15194%0.93977%0.77SS**  -152.9131.7129.9-124.80000110.7
276A32.3Very low35.3Very low93 Ų93150.8 Ų150.877%0.76978%0.777SS**  trans-127.7141.3160.700000105.4
277P39.8Very low34.6Very low121 Ų121150.8 Ų150.879%0.78679%0.79SS**  -144.1154.368.738.8-21.9000117.1
278N31.8Very low34.3Very low137 Ų137148.9 Ų148.973%0.73379%0.793SS**  trans36.9150.4134.6-154.434.1000124
279N32.5Very low33.8Very low122 Ų122143.7 Ų143.765%0.65279%0.79SS**  trans7694.7165.7-71-15.1000119.4
280N38.8Very low33.7Very low144 Ų144144.6 Ų144.677%0.7781%0.805SS**  51.4137.7118.9-69.415.1000123.2
281N36Very low33.3Very low136 Ų136147.1 Ų147.173%0.72781%0.805SS**  trans89.8109.1157.9-62.19.5000118.8
282E40.3Very low32.9Very low184 Ų184142.4 Ų142.486%0.8681%0.806SS**  trans40.6108.4133.3-59.3177.8133.100119.8
283C29.8Very low32.2Very low133 Ų133144.2 Ų144.290%0.89981%0.81SS**  trans-153.7135.5140.4-153.60000110.6
284E36.3Very low31.9Very low181 Ų181145.4 Ų145.485%0.84681%0.809SS**  trans-85.1148.3170.5-55.7-103.5104.500109.3
285D33.3Very low31.7Very low157 Ų157144.5 Ų144.584%0.8481%0.808SS**  -171.1165.1123.9-135.1-41000112.3
286E27.4Very low31.7Very low178 Ų178143.4 Ų143.483%0.83279%0.792SS**  trans-79.1152.9-173.4-67.4-170.877.800115.1P288E286-P288 WeakPolarHBondContact O-CD 3.24Å
287C24.7Very low31.7Very low130 Ų130146 Ų14688%0.87880%0.798SS**  trans-104.3104.7172.3-76.70000111.9
288P33.5Very low31.3Very low127 Ų127148.4 Ų148.483%0.82580%0.804SS**  trans-73.1139.9168.730-33.4000111.2E286E286-P288 WeakPolarHBondContact O-CD 3.24Å
289S30.7Very low31.1Very low108 Ų108145.6 Ų145.676%0.75581%0.808SS**  trans-90.1145.5-179.460.10000112.6Q291S289-Q291 PolarHBondContact O-N 3.14Å; S289-Q291 VanDerWaalsContact O-N 3.16Å
290P36.1Very low31Very low129 Ų129148 Ų14884%0.83882%0.82SS**  trans-77.1102.8178.330-33.3000111.2
291Q27.4Very low30.4Very low172 Ų172149.1 Ų149.180%0.80483%0.825SS**  trans-72.6129172.9-172.9170.9-3.700110.5S289 I293S289-Q291 PolarHBondContact O-N 3.14Å; S289-Q291 VanDerWaalsContact O-N 3.16Å; Q291-I293 PolarHBondContact O-N 3.47Å
292C27.6Very low30.2Very low131 Ų131148.4 Ų148.489%0.88583%0.826SS**  trans-70120.9178.3-68.60000111
293I24.6Very low30Very low148 Ų148145.4 Ų145.476%0.75982%0.822SS**  trans-110.5143.4169.2-63.4-179.7000108.5Q291 E295Q291-I293 PolarHBondContact O-N 3.47Å; I293-E295 HydrophobicContact CG2-CG 4.26Å
294Y26.8Very low29.8Very low190 Ų190143.8 Ų143.875%0.74581%0.812SS**  trans-119.1117.2-178.3174.7-89.5000108.3N296Y294-N296 VanDerWaalsContact CE1-ND2 3.28Å; Y294-N296 WeakPolarHBondContact CE1-ND2 3.45Å; Y294-N296 PolarHBondContact OH-ND2 3.4Å
295E28.2Very low29.3Very low175 Ų175140.4 Ų140.482%0.81881%0.809SS**  trans-116.4127.6178.8-72.6-165.2124.200112I293I293-E295 HydrophobicContact CG2-CG 4.26Å
296N28.5Very low29Very low116 Ų116140.2 Ų140.262%0.6281%0.814SS**  trans-123.5116.1163.8-76-28.9000107.8Y294Y294-N296 VanDerWaalsContact CE1-ND2 3.28Å; Y294-N296 WeakPolarHBondContact CE1-ND2 3.45Å; Y294-N296 PolarHBondContact OH-ND2 3.4Å
297V31.1Very low29.1Very low146 Ų146137.3 Ų137.389%0.88581%0.813SS**  trans-159.8151.5144.2-1110000112.4
298N30.9Very low29.3Very low172 Ų172139.6 Ų139.692%0.9282%0.815SS**  trans-67.1140.1164.6-67.8-21.9000110.5
299G28.3Very low29Very low79 Ų79145.1 Ų145.181%0.81482%0.82SS**  trans-141.7114.8170.400000111.5
300L29.7Very low28.9Very low171 Ų171151.7 Ų151.790%0.89583%0.828SS**  trans-84.6138.1164.6-74.4162000108.8
301L27.2Very low28.4Very low168 Ų168149.2 Ų149.288%0.8883%0.826SS**  178.4153.1127.8-97.1164.5000112.3
302T31.2Very low28.5Very low121 Ų121145 Ų14574%0.74283%0.828SS**  trans-93.5164.2172.446.50000111.7
303P36.3Very low28.7Very low121 Ų121149.9 Ų149.979%0.78683%0.828SS**  -136.1123.6125.334.9-23.8000115.4
304S25.2Very low28.9Very low99 Ų99150.8 Ų150.869%0.69283%0.834SS**  43.4104.7124.7-48.70000121.5
305S25.9Very low29.1Very low110 Ų110150.7 Ų150.777%0.76984%0.837SS**  50118.7125.865.90000121.5
306T28.5Very low29Very low154 Ų154149.8 Ų149.895%0.94584%0.837SS**  -139.1143.7126.532.30000110
307S28.1Very low28.9Very low116 Ų116152.1 Ų152.181%0.81185%0.848SS**  trans-115.6131.4-174.360.60000112.2
308L29.7Very low28.7Very low178 Ų178154.2 Ų154.293%0.93284%0.84SS**  trans-140.7127.3163.4-100.6172.2000111.3
309R27Very low28.5Very low244 Ų244155 Ų15592%0.92184%0.838SS**  trans-91.2139.5175.2-60.4-178.3-174.4-1237.1110.6
310R28.2Very low28.6Very low246 Ų246156.6 Ų156.693%0.92883%0.828SS**  trans-152.8128142.3-165.8162.5-70.4-144.20.1110.3
311G26.6Very low28.9Very low77 Ų77157 Ų15779%0.79483%0.829SS**  trans-99162175.200000112.4
312G28.1Very low29Very low82 Ų82152 Ų15285%0.84582%0.818SS**  trans-154.2133.3170.800000109.8
313R31.4Very low29Very low235 Ų235154.5 Ų154.589%0.88783%0.827SS**  trans-146.2100.1-169.1-177.4-164.5-175-155.55.6111.6
314L29.8Very low28.8Very low167 Ų167154.9 Ų154.987%0.87483%0.827SS**  trans-139121.7168.1-62.4172.3000106.6
315K30.5Very low29Very low187 Ų187155.9 Ų155.981%0.81383%0.834SS**  73.275.661.8-78.1-158.9168.8-169.50115.3
316L27Very low29.2Very low156 Ų156156 Ų15682%0.81783%0.833SS**  30.3120.9119.5-160.2168.1000118.2R318L316-R318 HydrophobicContact CD2-CB 4.33Å
317I25Very low29.3Very low166 Ų166154.4 Ų154.485%0.85183%0.829SS**  trans-130.4147.3154.5-64.4-179.5000107.9
318R27.3Very low29.7Very low190 Ų190157 Ų15772%0.71783%0.828SS**  trans-148.5115.4-178170.7-136.5167.3163.4-5.2111.3L316 D320L316-R318 HydrophobicContact CD2-CB 4.33Å; R318-D320 IonicContact CZ-OD2 2.68Å; R318-D320 IonicContact NE-OD2 2.67Å; R318-D320 PolarHBondContact NE-OD2 3.22Å; R318-D320 IonicContact NH2-OD2 2.72Å; R318-D320 PolarHBondContact NH2-OD2 3.17Å
319E28Very low30.2Very low189 Ų189160.2 Ų160.288%0.88383%0.827SS**  trans-149.3123156.6-59.8-175.4143.700104.4
320D30.7Very low30.8Very low112 Ų112160.5 Ų160.560%0.59983%0.828SS**  cis92.295.219.6-147.2-13.3000115.2R318R318-D320 IonicContact CZ-OD2 2.68Å; R318-D320 IonicContact NE-OD2 2.67Å; R318-D320 PolarHBondContact NE-OD2 3.22Å; R318-D320 IonicContact NH2-OD2 2.72Å; R318-D320 PolarHBondContact NH2-OD2 3.17Å
321L34.1Very low31.2Very low178 Ų178155.6 Ų155.693%0.93283%0.826SS**  trans-163.5128.3167.5-110167.5000106.4
322G30.6Very low31.7Very low63 Ų63156.2 Ų156.265%0.64982%0.824SS**  trans-153.9171.8-175.400000113.6
323L30.1Very low32.4Very low175 Ų175160 Ų16092%0.91682%0.824SS**  trans-147.2146165.6-142.973.2000112.7
324T32.3Very low33.1Very low128 Ų128154.6 Ų154.679%0.78581%0.812SS**  trans-51.1142.5-175.251.90000117.2
325S29.3Very low33.5Very low120 Ų120153.7 Ų153.784%0.83980%0.803SS**  -159.7137.3116.4-167.30000111.3
326C30.1Very low34.3Very low112 Ų112153.1 Ų153.176%0.75780%0.797SS**  trans-116.9140176.4-68.80000110.9
327S32.2Very low35.5Very low122 Ų122153 Ų15385%0.85379%0.792SS**  trans-140.5125.3161.6-169.50000109.7
328H34.9Very low36.8Very low171 Ų171152.3 Ų152.379%0.79279%0.79SS**  trans-97.7122.7-172.6-71.478.1000111.1
329R40.4Very low38.2Very low244 Ų244149.6 Ų149.692%0.92179%0.789SS**  trans-138.198159.1-75.5-160.5169.7-159.8-3.3112.6
330R40.4Very low39.1Very low250 Ų250145.9 Ų145.994%0.94378%0.782SS**  trans20.6111.9152.4-66.6177.5172.3167.5-3.8117.4
331T37Very low39.8Very low143 Ų143146.3 Ų146.388%0.87779%0.793SS**  trans-65.8142.3153.139.90000110.6
332A37.4Very low40.4Very low91 Ų91145.3 Ų145.375%0.75279%0.788SS**  trans-91.9123.7168.700000109.1
333L41.2Very low41Very low161 Ų161147.3 Ų147.384%0.84379%0.79SS**  trans-92.5106.1-179.5-160.4164.3000108.3
334L46.9Very low41.9Very low122 Ų122144.5 Ų144.564%0.63978%0.782SS**  trans-78.1131.9-178.3-64.5177.4000111Y336L334-Y336 HydrophobicContact CB-CD2 4.39Å; L334-Y336 HydrophobicContact CB-CE2 4Å; L334-Y336 WeakPolarHBondContact O-CD2 3.48Å
335H38.3Very low42.3Very low147 Ų147144.5 Ų144.568%0.68178%0.781SS**  trans-92.3103.5-171.9-157.2-81000110.8E337H335-E337 IonicContact CE1-OE2 3.41Å; H335-E337 PolarHBondContact CE1-OE2 3.38Å; H335-E337 PolarHBondContact O-N 3.17Å
336Y48.1Very low42.8Very low176 Ų176150 Ų15069%0.6978%0.784SS**  trans-87.210.5-165.1-91.2-81.6000116.6L334 N338 L339L334-Y336 HydrophobicContact CB-CD2 4.39Å; L334-Y336 HydrophobicContact CB-CE2 4Å; L334-Y336 WeakPolarHBondContact O-CD2 3.48Å; Y336-N338 PolarHBondContact O-N 3.38Å; Y336-L339 HydrophobicContact CD1-CD1 4.24Å; Y336-L339 HydrophobicContact CE1-CD1 4.48Å
337E51.4Low43.1Very low153 Ų153152.7 Ų152.772%0.71579%0.785SS**SBendtrans-85.5-0.2-167.3-61.7-158.8131.700117H335H335-E337 IonicContact CE1-OE2 3.41Å; H335-E337 PolarHBondContact CE1-OE2 3.38Å; H335-E337 PolarHBondContact O-N 3.17Å
338N52.1Low43.1Very low151 Ų151153 Ų15381%0.80779%0.786SS**  trans-13559.9-176.3-77.1-89000112.9Y336Y336-N338 PolarHBondContact O-N 3.38Å
339L57Low42.9Very low133 Ų133153 Ų15370%0.69679%0.787SS**  trans-109.6135.7164.7-70173.6000109.7Y336Y336-L339 HydrophobicContact CD1-CD1 4.24Å; Y336-L339 HydrophobicContact CE1-CD1 4.48Å
340P46.4Very low42.4Very low112 Ų112146.9 Ų146.973%0.72778%0.778SS**PPolyproline II helixtrans-65.8145.817628.6-34.4000110.8L342P340-L342 PolarHBondContact O-N 2.99Å
341S45.1Very low42Very low121 Ų121141.8 Ų141.885%0.84678%0.775SS**PPolyproline II helixtrans-59.3117.1-17754.50000112
342L48Very low41.7Very low156 Ų156146.4 Ų146.482%0.81778%0.776SS**PPolyproline II helixtrans-67146.8171.1-63.4175.7000110.4P340P340-L342 PolarHBondContact O-N 2.99Å
343P43.3Very low41.3Very low106 Ų106152.7 Ų152.769%0.68878%0.78SS**PPolyproline II helixtrans-63.6150.617428.4-35000110.9V345P343-V345 PolarHBondContact O-N 3.28Å
344P48.6Very low40.8Very low115 Ų115148.2 Ų148.275%0.74777%0.773SS**PPolyproline II helixtrans-62.7126.4-175.225-34.1000111.7
345V39.3Very low40.2Very low128 Ų128151.5 Ų151.578%0.77679%0.785SS**PPolyproline II helixtrans-76.7130.1171.1179.10000108.4P343 E347P343-V345 PolarHBondContact O-N 3.28Å; V345-E347 PolarHBondContact O-N 3.25Å
346W40.4Very low40.1Very low235 Ų235153.5 Ų153.589%0.8980%0.795SS**  trans-74.892.6176.5-68.795.3000110.7C348W346-C348 PolarHBondContact O-N 3.42Å
347E37.3Very low39.3Very low169 Ų169152.4 Ų152.479%0.7980%0.801SS**  trans-74.2105.5172.2-66.5-167.7159.400111V345 Q349V345-E347 PolarHBondContact O-N 3.25Å; E347-Q349 PolarHBondContact O-N 3.17Å
348C31Very low38.6Very low128 Ų128151.1 Ų151.187%0.86580%0.804SS**  trans-68.592.6171.8-69.20000110.8W346W346-C348 PolarHBondContact O-N 3.42Å
349Q30.6Very low37.6Very low173 Ų173151.2 Ų151.281%0.80880%0.804SS**  trans-60.2135.7173.4-70.6-172.4-10.500111.4E347 V351E347-Q349 PolarHBondContact O-N 3.17Å; Q349-V351 PolarHBondContact O-N 3.35Å
350P31Very low36.6Very low115 Ų115149.2 Ų149.275%0.74781%0.807SS**  trans-71.5129.4176.229-33.6000110.6R352P350-R352 PolarHBondContact O-N 3.43Å
351V31.2Very low36Very low143 Ų143147.1 Ų147.187%0.86781%0.806SS**  trans-59.1107.5177.5176.80000110.2Q349 R353Q349-V351 PolarHBondContact O-N 3.35Å; V351-R353 PolarHBondContact O-N 3.32Å
352R30.7Very low35.5Very low239 Ų239150 Ų15090%0.90281%0.811SS**  trans-75103.5166.5-75.8-171.2172.5-170.1-1.6109P350 G354P350-R352 PolarHBondContact O-N 3.43Å; R352-G354 PolarHBondContact O-N 2.99Å
353R29.9Very low34.7Very low223 Ų223145.4 Ų145.484%0.84280%0.802SS**  trans-60.7126.1162.9-178.2-176-60-90.8-2.5108.1V351V351-R353 PolarHBondContact O-N 3.32Å
354G29.7Very low34.5Very low68 Ų68148.7 Ų148.770%0.70181%0.813SS**  trans-80.8149.5170.600000111.5R352R352-G354 PolarHBondContact O-N 2.99Å
355E34.5Very low33.8Very low190 Ų190149.6 Ų149.689%0.88882%0.816SS**  trans-129.9145.5158.7-66.1-178.6130.800105.5
356E35.8Very low33.8Very low190 Ų190149.1 Ų149.189%0.88882%0.816SS**  trans-93.7-161.6-166.2-66.317698.100112.6
357D33Very low33.2Very low152 Ų152143 Ų14381%0.81381%0.809SS**  trans73.9127.6-178.1-71.8-29000116.4
358T35.2Very low33.7Very low126 Ų126140.2 Ų140.277%0.77381%0.805SS**  cis-154.6168.7-0.9-16.80000112.7
359D31.8Very low33.8Very low153 Ų153142 Ų14282%0.81881%0.807SS**  trans96.3141.3149.3-154.925.1000119.9
360A36.2Very low33.6Very low92 Ų92137.5 Ų137.576%0.7681%0.807SS**  trans36.2134.1171.800000120.6
361G34.2Very low33.4Very low67 Ų67142.7 Ų142.769%0.69181%0.813SS**  cis156.1141.60.900000110.5
362D34.3Very low34.5Very low181 Ų181140.4 Ų140.497%0.96880%0.801SS**  trans57148.8-172.8-67.9-35.5000116.2
363G31.8Very low34.5Very low60 Ų60137 Ų13762%0.61980%0.795SS**  cis174.4155.6-7.700000111.8
364L37.6Very low34.7Very low176 Ų176131 Ų13192%0.92179%0.793SS**  trans61104.2163.7-52.2179.6000119.3
365T34.2Very low34.7Very low133 Ų133130.9 Ų130.982%0.81679%0.792SS**  trans-56150.1139.77.70000110.2
366P38.7Very low34.7Very low119 Ų119130.4 Ų130.477%0.77379%0.79SS**  -154.1169.279.442.5-23.9000117.9
367S29.2Very low34.6Very low107 Ų107128.9 Ų128.975%0.74879%0.787SS**  trans-98.1-179.8156.2-40.60000109.2
368P48.3Very low34.8Very low109 Ų109128.3 Ų128.371%0.70878%0.784SS**  cis-137.7-173.2-243-25.1000115.3
369N31.3Very low35.9Very low167 Ų167127 Ų12789%0.89378%0.778SS**  trans57128.3154.8-74.28.5000122.2
370G27.4Very low36.3Very low78 Ų78126 Ų12680%0.80477%0.772SS**  trans-175.7129.9161.500000113
371Y26.7Very low36.2Very low223 Ų223128.3 Ų128.388%0.87577%0.767SS**  trans-148.6170.6-179.9-131.7-112.7000106.9
372P53.8Low36Very low95 Ų95131 Ų13162%0.61777%0.766SS**  cis-95-123.2-10.2-4.829.7000112.4
373E31.2Very low35.7Very low169 Ų169132 Ų13279%0.7976%0.757SS**  cis-163.2160.23.5-154.5153.696.300113.4
374A34.1Very low35.5Very low95 Ų95136.6 Ų136.679%0.78576%0.764SS**  trans35.4136.3164.300000122.9
375G30Very low35.1Very low66 Ų66135.7 Ų135.768%0.6876%0.761SS**  cis165.2178.4-4.800000114.5
376E35Very low35.1Very low181 Ų181133.3 Ų133.385%0.84675%0.75SS**  trans70.9133152.9-54.6170.5-16100116.1
377D32.3Very low34.9Very low157 Ų157135.1 Ų135.184%0.8475%0.748SS**  cis-140.2159.913.2-85.1-62.6000113.8
378D37.8Very low35.3Very low140 Ų140137 Ų13775%0.74975%0.749SS**  trans-147.9155.4161.6179.945.8000106.2
379P57.4Low34.5Very low98 Ų98138.9 Ų138.964%0.63676%0.759SS**  -160162.510342.7-23.1000118.9
380L40.8Very low34.7Very low132 Ų132135.1 Ų135.169%0.69175%0.751SS**  trans88.5136153.8-49.9-168.3000117.7
381Q35Very low35Very low142 Ų142140 Ų14066%0.66476%0.757SS**  cis-160.6151.99.4-131168-0.700116.2
382N29Very low35.2Very low123 Ų123139 Ų13966%0.65876%0.761SS**  trans73.4134156.7-55.5-37.3000118.5
383Y28.2Very low34Very low202 Ų202138.5 Ų138.579%0.79277%0.772SS**  cis-154.5162.6-5.9-149.1-99.5000113
384M28.3Very low33.8Very low156 Ų156134.4 Ų134.477%0.76878%0.776SS**  trans-38.6141.4179.1-117.4161164.400116.5
385N27.8Very low33.6Very low158 Ų158135.7 Ų135.785%0.84578%0.779SS**  cis86.1169.344.5-89.111.8000116.9
386S35.7Very low33.6Very low83 Ų83136.2 Ų136.258%0.5878%0.784SS**  trans-115170.3-13845.90000118.1
387E34.5Very low33.5Very low156 Ų156134.2 Ų134.273%0.72978%0.779SS**  trans65.2138.6145.480.2-152.291.100125.2
388N37.8Very low33.5Very low147 Ų147136.9 Ų136.979%0.78678%0.777SS**  trans32.4124.6142.7-62.7-25.4000122
389T31.1Very low33.2Very low149 Ų149141 Ų14191%0.91478%0.782SS**  trans-158151.1131.4-80.10000109.9
390A34.6Very low31.9Very low87 Ų87141.9 Ų141.972%0.71979%0.79SS**  trans-97.5158-174.500000114.1
391L33.3Very low31.3Very low180 Ų180139.2 Ų139.294%0.94280%0.795SS**  trans-139.6150161.6-81.3-179000111.9
392H31.9Very low31.1Very low203 Ų203141 Ų14194%0.9480%0.801SS**  trans-94.6151.3179.8-83.9-90.4000113.1
393G27.9Very low31.5Very low84 Ų84142.5 Ų142.587%0.86681%0.808SS**  trans156.5126.1153.600000114.8
394G28.5Very low32.2Very low83 Ų83137.6 Ų137.686%0.85680%0.8SS**  trans14572.8168.600000118.4
395S29.5Very low32.4Very low122 Ų122139.5 Ų139.585%0.85381%0.805SS**  trans-13.7136.9164-168.70000120.9
396G29.5Very low33.1Very low77 Ų77137.7 Ų137.779%0.79480%0.802SS**  trans-171.6128.516400000114.3
397L33.8Very low32.9Very low139 Ų139144.9 Ų144.973%0.72882%0.816SS**  trans-97.6133-161.6-99.871.9000117.8
398R31.7Very low32.9Very low213 Ų213149.2 Ų149.280%0.80483%0.826SS**  trans74.9142.9135.1-68.7-171.8-169.9-77.76.3124.5
399R31.1Very low32.6Very low228 Ų228148.9 Ų148.986%0.8682%0.824SS**  trans86.792.6140.6-88.8-174.2174-167.5-0.7122.2
400S29.7Very low32.6Very low115 Ų115148.1 Ų148.180%0.80482%0.823SS**  26.8125.4116.3-176.40000120.9
401G29.5Very low32.7Very low76 Ų76150 Ų15078%0.78483%0.826SS**  trans-174.4126.9164.500000115.5
402F30.6Very low33Very low181 Ų181147.6 Ų147.679%0.79482%0.824SS**  trans-71.4142.5-167.9-71.3-100.7000119.4
403L36.4Very low33.1Very low153 Ų153143 Ų14380%0.80181%0.814SS**  trans66.6176.4138.4-60.7171.1000119.1
404P43.2Very low33.8Very low99 Ų99144.2 Ų144.264%0.64380%0.804SS**  -139.5176.7-75.243.5-27000116.8
405K33.3Very low34.2Very low197 Ų197148.3 Ų148.386%0.85780%0.799SS**  trans71.6165.3164.7-65.1172.9177.7171.90117.2
406P40.7Very low34.3Very low120 Ų120148.8 Ų148.878%0.77979%0.792SS**  cis-126.8162.6-1334.2-16.9000116.5
407R31.5Very low34.6Very low234 Ų234152.9 Ų152.988%0.88379%0.788SS**  trans6.3132.4153.8-69.5179.6165.8164-4.9120.6
408R34.6Very low34.6Very low247 Ų247152.4 Ų152.493%0.93279%0.786SS**  -147.9159.7121-109.4169.4-169.5-172.42.3110.8
409N31.3Very low35.1Very low140 Ų140150 Ų15075%0.74978%0.782SS**  trans-81.4133.6-166.1-58.3-11.1000111.8
410C32.8Very low35.5Very low133 Ų133145 Ų14590%0.89978%0.779SS**  trans-80.2124162.5-63.10000109.3
411V36.6Very low36.1Very low127 Ų127150.2 Ų150.277%0.7778%0.781SS**  trans-129.7132.8165-75.30000107.7S413V411-S413 PolarHBondContact O-N 3.13Å; V411-S413 VanDerWaalsContact O-N 3.15Å
412S39.6Very low36.5Very low129 Ų129152.3 Ų152.390%0.90278%0.781SS**  trans-71108.1-175.7-60.80000110.9
413S33.6Very low36.7Very low106 Ų106149.6 Ų149.674%0.74178%0.783SS**  trans-106.192168.7-1660000109.2V411V411-S413 PolarHBondContact O-N 3.13Å; V411-S413 VanDerWaalsContact O-N 3.15Å
414V41.7Very low37.2Very low109 Ų109147.7 Ų147.766%0.66178%0.78SS**  trans-69155159.8-178.40000107.7
415F37.2Very low36.8Very low169 Ų169151.5 Ų151.574%0.74179%0.789SS**  trans73.878.3-174-47.5-71.7000115.1
416N31.4Very low37.1Very low132 Ų132150.4 Ų150.471%0.70679%0.787SS**  trans-98.8127.6155.2-137.238.2000108D418N416-D418 PolarHBondContact ND2-OD2 3.23Å; N416-D418 PolarHBondContact O-N 2.86Å
417F35.7Very low37.4Very low164 Ų164150.3 Ų150.372%0.71979%0.786SS**  trans-95.971.6175.7-86.9-87000110.7F419F417-F419 HydrophobicContact CB-CD2 4.47Å; F417-F419 HydrophobicContact CB-CE2 4.12Å; F417-F419 HydrophobicContact CD1-CE2 4.17Å; F417-F419 HydrophobicContact CD1-CZ 4.26Å; F417-F419 PolarHBondContact O-N 3.22Å
418D35.1Very low38.2Very low128 Ų128150.4 Ų150.468%0.68479%0.786SS**  trans-75.786.8173.3-79.1-66.9000110.9N416N416-D418 PolarHBondContact ND2-OD2 3.23Å; N416-D418 PolarHBondContact O-N 2.86Å
419F42.1Very low39.4Very low164 Ų164146.8 Ų146.872%0.71978%0.78SS**  trans-68.3132.5166.7-71.3-83.1000110.2F417 R421F417-F419 HydrophobicContact CB-CD2 4.47Å; F417-F419 HydrophobicContact CB-CE2 4.12Å; F417-F419 HydrophobicContact CD1-CE2 4.17Å; F417-F419 HydrophobicContact CD1-CZ 4.26Å; F417-F419 PolarHBondContact O-N 3.22Å; F419-R421 PolarHBondContact O-N 2.99Å
420P38.1Very low40.5Very low123 Ų123146 Ų14680%0.79978%0.775SS**  trans-65110.5-178.625.7-33.7000110.6
421R42.6Very low41.7Very low224 Ų224146.1 Ų146.185%0.84577%0.767SS**PPolyproline II helixtrans-79125.8-179.7-160.4-173.6-47.8-127.4-1.2109.3F419F419-R421 PolarHBondContact O-N 2.99Å
422P38.7Very low42.4Very low119 Ų119149.6 Ų149.677%0.77377%0.768SS**PPolyproline II helixtrans-56.2147.2166.9-24.835.4000111.2
423C35.6Very low43.6Very low124 Ų124151 Ų15184%0.83876%0.763SS**PPolyproline II helixtrans-72.1172.4-177.7-106.70000112.9
424P46.9Very low44.5Very low113 Ų113154 Ų15473%0.73477%0.766SS**  trans-92-168.8-151.236.7-36000115.2
425E34.1Very low45.1Very low180 Ų180154.2 Ų154.284%0.84177%0.767SS**  trans70.3145.1-171.6-78.3179.4129.200114.8
426Q40.1Very low45.9Very low174 Ų174153.6 Ų153.681%0.81377%0.767SS**  cis-119.9160.215.9-67.1170.3-9.400113.1R428Q426-R428 PolarHBondContact O-N 3.31Å
427P45.6Very low47.1Very low117 Ų117154.8 Ų154.876%0.7677%0.772SS**  trans-64.7128.8171.527.5-34.7000111.4Q429P427-Q429 PolarHBondContact O-N 2.93Å
428R48.3Very low47.4Very low236 Ų236155.3 Ų155.389%0.89178%0.777SS**  trans-71.4115.3176-68.5-177.2178.2-176.3-1.2110.2Q426 L430Q426-R428 PolarHBondContact O-N 3.31Å; R428-L430 PolarHBondContact O-N 2.9Å
429Q59.5Low48Very low171 Ų171153.6 Ų153.680%0.79978%0.781SS**  trans-63.5119.6171.9-177.1173.5-6.900110.2P427P427-Q429 PolarHBondContact O-N 2.93Å
430L55.7Low47.7Very low123 Ų123154.2 Ų154.264%0.64479%0.786SS**  trans-92.7117.5174.9-65176.7000109.5R428 Y432R428-L430 PolarHBondContact O-N 2.9Å; L430-Y432 HydrophobicContact CB-CD2 4.35Å; L430-Y432 HydrophobicContact CB-CE2 3.81Å; L430-Y432 HydrophobicContact CD1-CE2 4.42Å; L430-Y432 PolarHBondContact O-N 3.08Å
431N56.7Low48Very low136 Ų136152.4 Ų152.473%0.72777%0.774SS**  trans-87.8104.1173-66.7-35.4000109.2
432Y52Low47.9Very low201 Ų201150 Ų15079%0.78877%0.772SS**  trans-81.6132.8171.5-68-89.6000110.1L430L430-Y432 HydrophobicContact CB-CD2 4.35Å; L430-Y432 HydrophobicContact CB-CE2 3.81Å; L430-Y432 HydrophobicContact CD1-CE2 4.42Å; L430-Y432 PolarHBondContact O-N 3.08Å
433I65.6Low47.7Very low157 Ų157154.1 Ų154.181%0.80578%0.777SS**  trans-104.1108.2165.5-58.2176.7000106.5V435I433-V435 HydrophobicContact CG2-CG2 4.12Å
434Q51Low47.5Very low171 Ų171150.7 Ų150.780%0.79976%0.763SS**  trans-89.7113.5171.5-176162-3100108.2
435V54.2Low47Very low112 Ų112154 Ų15468%0.67977%0.769SS**  trans-92105.2176.4-177.50000107.9I433 L437I433-V435 HydrophobicContact CG2-CG2 4.12Å; V435-L437 PolarHBondContact O-N 2.78Å
436E54.2Low47.1Very low157 Ų157153 Ų15373%0.73476%0.764SS**  trans-81.3112.7177-164.8143.4-123.500109.3
437L57.8Low46.6Very low157 Ų157150.8 Ų150.882%0.82276%0.758SS**  trans-96.787.7177.1-73.9168.9000108.8V435 A439V435-L437 PolarHBondContact O-N 2.78Å; L437-A439 PolarHBondContact O-N 2.86Å
438E40.8Very low45.8Very low174 Ų174153.4 Ų153.481%0.81377%0.765SS**  trans-63132.3172.5-68.7-162153.800111.1
439A48.2Very low45.4Very low93 Ų93147.3 Ų147.377%0.76976%0.756SS**  trans-128.180.4-177.400000110.2L437L437-A439 PolarHBondContact O-N 2.86Å
440E36.4Very low44.1Very low177 Ų177145.8 Ų145.883%0.82776%0.758SS**  trans-76.7142-175-94.3-67.398.500114.1
441P43.8Very low43.8Very low84 Ų84144.9 Ų144.955%0.54576%0.759SS.*  trans-108.1130.1-164.338.6-33.8000118.2
442H40.4Very low42.5Very low175 Ų175147.2 Ų147.281%0.8177%0.765SS**  68.4112.2129.3-71.950.2000122.5
443K35.1Very low41.7Very low204 Ų204141.9 Ų141.989%0.88776%0.762SS**  trans-167.6161141.3-85.2122.4-156.9168.50108.2
444G30.2Very low40.5Very low53 Ų53140 Ų14055%0.54676%0.761SS.*  cis107.2122.1-2.900000113.8
445H36.5Very low40.1Very low182 Ų182137.7 Ų137.784%0.84376%0.76SS**  cis-155-179.1-5.1-52.6-91.3000107.7
446Q36.9Very low39.9Very low159 Ų159138.3 Ų138.374%0.74377%0.767SS**  cis-161.5158.73.7-146.5-170.695.400111.5
447N29.1Very low38.7Very low127 Ų127135.1 Ų135.168%0.67977%0.767SS**  trans25.6122.1151.1-68.1-27.4000123.9
448L28.3Very low37.4Very low173 Ų173134.1 Ų134.191%0.90677%0.768SS**  -167.8156122.1-131.674.6000112
449P40Very low37.6Very low108 Ų108135 Ų13570%0.70177%0.772SS**  trans-128.7136.6-173.238-21.9000118.5
450V34.1Very low37Very low139 Ų139139.2 Ų139.284%0.84278%0.775SS**  trans66.1158.8138.8178.10000118.1
451P48Very low37Very low103 Ų103134.7 Ų134.767%0.66977%0.768SS**  cis-119.3175-17.536.9-22.4000114.7
452H30.2Very low36.9Very low185 Ų185142.6 Ų142.686%0.85679%0.787SS**  -173.1147.6124.6-109.8-75.5000112.7
453A34.2Very low37.1Very low89 Ų89144.8 Ų144.874%0.73679%0.788SS**  trans-144146.3169.100000109.2
454P40.7Very low37.7Very low119 Ų119141.3 Ų141.377%0.77379%0.785SS**  -153.9-174.910938.4-19000114.1
455P43.7Very low38.4Very low121 Ų121143.8 Ų143.879%0.78679%0.785SS**  -129.4-138.2-53.546.6-29.8000110
456P48.4Very low39.3Very low126 Ų126140.7 Ų140.782%0.81878%0.784SS**  trans-121.2167.3-145.929.6-4.5000117.1
457A30.2Very low40.8Very low90 Ų90142.2 Ų142.274%0.74478%0.784SS**  trans-148.812516500000113.2
458T31.1Very low42.6Very low135 Ų135140.5 Ų140.583%0.82879%0.788SS**  trans38.9124.8149.352.90000121.4
459H43.2Very low44.5Very low193 Ų193139.2 Ų139.289%0.89479%0.787SS**  trans-62.6143159.5-73.9-117.5000111.6
460E35.8Very low46Very low181 Ų181139.8 Ų139.885%0.84678%0.783SS**  trans-127.5135.7158.8-94.2-63.2166.300109.3
461A37.5Very low47.9Very low83 Ų83137.3 Ų137.369%0.68677%0.765SS**  trans-93.6116.5-16900000111.3R463A461-R463 PolarHBondContact O-N 3Å
462R41.9Very low49.1Very low249 Ų249139 Ų13994%0.9477%0.768SS**  trans-65.993.2173.4-78.3-171.7174-178.9-0.9111.3
463R44.8Very low51.2Low221 Ų221138.7 Ų138.783%0.83476%0.764SS**  trans-71.8135.6159.9-69.6-169173.8-143.2-1.9109.6A461 D465A461-R463 PolarHBondContact O-N 3Å; R463-D465 PolarHBondContact O-N 3.16Å
464T47.1Very low52.8Low132 Ų132141.3 Ų141.381%0.8176%0.759SS**  trans-87.786.5172.747.50000109.5S466T464-S466 VanDerWaalsContact C-N 3.34Å; T464-S466 PolarHBondContact O-N 3.25Å
465D44.8Very low54.2Low104 Ų104138.9 Ų138.956%0.55674%0.742SS**  trans-75.381.1179.5-88.426.4000111.6R463 Y467R463-D465 PolarHBondContact O-N 3.16Å; D465-Y467 HydrophobicContact CB-CD2 4.08Å; D465-Y467 HydrophobicContact CB-CE2 3.71Å; D465-Y467 PolarHBondContact O-N 3.26Å; D465-Y467 VanDerWaalsContact O-N 3.12Å; D465-Y467 WeakPolarHBondContact OD2-CE2 3.43Å
466S55.3Low55.3Low117 Ų117135.6 Ų135.682%0.81873%0.725SS**  trans-82.971.9-179.250.90000113.2T464T464-S466 VanDerWaalsContact C-N 3.34Å; T464-S466 PolarHBondContact O-N 3.25Å
467Y67.6Low55.9Low191 Ų191132.3 Ų132.375%0.74971%0.708SS**  trans-76.5125.4175.2-68-77.4000112.9D465D465-Y467 HydrophobicContact CB-CD2 4.08Å; D465-Y467 HydrophobicContact CB-CE2 3.71Å; D465-Y467 PolarHBondContact O-N 3.26Å; D465-Y467 VanDerWaalsContact O-N 3.12Å; D465-Y467 WeakPolarHBondContact OD2-CE2 3.43Å
468A68.4Low57.3Low92 Ų92133.5 Ų133.576%0.7670%0.7SS**  trans-85.4118.9171.800000111I470A468-I470 PolarHBondContact O-N 3.42Å
469V68.3Low58.9Low146 Ų146129.8 Ų129.889%0.88568%0.68SS**  trans-81.7112.3176.6-179.70000110.2
470I70.2Confident59.8Low119 Ų119126 Ų12661%0.6167%0.666SS**  trans-86.2122.8175-58.1175.6000109.1A468 L472A468-I470 PolarHBondContact O-N 3.42Å; I470-L472 WeakPolarHBondContact O-CD1 3.43Å; I470-L472 PolarHBondContact O-N 3.48Å
471D75.4Confident60.9Low87 Ų87123.8 Ų123.847%0.46566%0.659SS.*  trans-80.1104170.5178-4.1000110.3K473 K474 T475D471-K473 PolarHBondContact O-N 3.13Å; D471-K473 WeakPolarHBondContact OD1-CA 3.5Å; D471-K473 WeakPolarHBondContact OD1-CB 3.47Å; D471-K473 PolarHBondContact OD1-N 3.03Å; D471-K474 HydrophobicContact CB-CB 3.9Å; D471-K474 PolarHBondContact O-N 3.13Å; D471-K474 VanDerWaalsContact O-N 3.13Å; D471-K474 PolarHBondContact OD1-N 3.06Å; D471-T475 PolarHBondContact O-N 2.89Å; D471-T475 PolarHBondContact O-OG1 3.08Å
472L73.1Confident62Low140 Ų140128.1 Ų128.173%0.73367%0.665SS**Hα-helixtrans-58.4-31179.4-76.778.7000113.1I470 A476I470-L472 WeakPolarHBondContact O-CD1 3.43Å; I470-L472 PolarHBondContact O-N 3.48Å; L472-A476 WeakPolarHBondContact O-CB 3.25Å; L472-A476 PolarHBondContact O-N 3.37Å
473K74.3Confident62.8Low178 Ų178125.8 Ų125.877%0.77466%0.656SS**Hα-helixtrans-70.5-40.4178.2-62.6-178.7179178.40110.6D471 A476 A477D471-K473 PolarHBondContact O-N 3.13Å; D471-K473 WeakPolarHBondContact OD1-CA 3.5Å; D471-K473 WeakPolarHBondContact OD1-CB 3.47Å; D471-K473 PolarHBondContact OD1-N 3.03Å; K473-A476 PolarHBondContact O-N 2.76Å; K473-A477 PolarHBondContact O-N 2.85Å
474K66.8Low63.4Low144 Ų144118.8 Ų118.863%0.62665%0.646SS**Hα-helixtrans-67.3-39.9176-159.3172-173.61780111.8D471 A477 M478D471-K474 HydrophobicContact CB-CB 3.9Å; D471-K474 PolarHBondContact O-N 3.13Å; D471-K474 VanDerWaalsContact O-N 3.13Å; D471-K474 PolarHBondContact OD1-N 3.06Å; K474-A477 PolarHBondContact O-N 2.96Å; K474-M478 PolarHBondContact O-N 3.24Å
475T71.3Confident64Low67 Ų67119.7 Ų119.741%0.41165%0.645SS.*Hα-helixtrans-63.6-41.7173.8-580000112.2D471 A477 M478 S479D471-T475 PolarHBondContact O-N 2.89Å; D471-T475 PolarHBondContact O-OG1 3.08Å; T475-A477 VanDerWaalsContact C-N 3.33Å; T475-A477 PolarHBondContact O-N 2.86Å; T475-M478 PolarHBondContact O-N 2.81Å; T475-S479 PolarHBondContact O-N 3.31Å
476A66.3Low64.4Low53 Ų53120.8 Ų120.844%0.43866%0.658SS.*Hα-helixtrans-61.7-38.817600000112.7L472 K473 S479 N480L472-A476 WeakPolarHBondContact O-CB 3.25Å; L472-A476 PolarHBondContact O-N 3.37Å; K473-A476 PolarHBondContact O-N 2.76Å; A476-S479 PolarHBondContact O-N 3.19Å; A476-N480 PolarHBondContact O-N 3.41Å; A476-N480 VanDerWaalsContact O-N 3.17Å; A476-N480 PolarHBondContact O-ND2 3.12Å
477A60.5Low64.5Low57 Ų57125.6 Ų125.647%0.47166%0.658SS.*Hα-helixtrans-61.9-44175.500000112.3K473 K474 T475 N480 L481K473-A477 PolarHBondContact O-N 2.85Å; K474-A477 PolarHBondContact O-N 2.96Å; T475-A477 VanDerWaalsContact C-N 3.33Å; T475-A477 PolarHBondContact O-N 2.86Å; A477-N480 PolarHBondContact O-N 2.74Å; A477-L481 PolarHBondContact O-N 3.37Å
478M59.1Low63.8Low114 Ų114123.4 Ų123.456%0.56266%0.659SS**Hα-helixtrans-67.5-37.8176.9-62.4-166.4-56.400112.6K474 T475 N480 L481 Q482K474-M478 PolarHBondContact O-N 3.24Å; T475-M478 PolarHBondContact O-N 2.81Å; M478-N480 VanDerWaalsContact C-N 3.3Å; M478-N480 PolarHBondContact O-N 2.79Å; M478-L481 WeakPolarHBondContact O-CB 3.34Å; M478-L481 PolarHBondContact O-N 2.97Å; M478-L481 VanDerWaalsContact O-N 3.17Å; M478-Q482 PolarHBondContact O-N 3.35Å
479S66.1Low63.3Low58 Ų58125 Ų12541%0.40666%0.655SS.*Hα-helixtrans-61.7-36.8177-172.50000112.5T475 A476 Q482 R483T475-S479 PolarHBondContact O-N 3.31Å; A476-S479 PolarHBondContact O-N 3.19Å; S479-Q482 PolarHBondContact O-N 3.04Å; S479-R483 WeakPolarHBondContact O-CG 3.49Å; S479-R483 PolarHBondContact O-N 3.21Å
480N60.5Low62.9Low113 Ų113120.8 Ų120.860%0.60464%0.641SS**Hα-helixtrans-68.6-33.5175.3-75.4-30.2000113A476 A477 M478 R483A476-N480 PolarHBondContact O-N 3.41Å; A476-N480 VanDerWaalsContact O-N 3.17Å; A476-N480 PolarHBondContact O-ND2 3.12Å; A477-N480 PolarHBondContact O-N 2.74Å; M478-N480 VanDerWaalsContact C-N 3.3Å; M478-N480 PolarHBondContact O-N 2.79Å; N480-R483 PolarHBondContact O-N 2.85Å
481L59.6Low62.3Low134 Ų134120.9 Ų120.970%0.70265%0.648SS**Hα-helixtrans-65.2-39.8174.3-66.6172.6000111.7A477 M478 R483 A484A477-L481 PolarHBondContact O-N 3.37Å; M478-L481 WeakPolarHBondContact O-CB 3.34Å; M478-L481 PolarHBondContact O-N 2.97Å; M478-L481 VanDerWaalsContact O-N 3.17Å; L481-R483 PolarHBondContact O-N 3.07Å; L481-R483 VanDerWaalsContact O-N 3.14Å; L481-A484 WeakPolarHBondContact O-CB 3.48Å; L481-A484 PolarHBondContact O-N 2.85Å; L481-A484 VanDerWaalsContact O-N 3.13Å
482Q60.5Low61.2Low175 Ų175121.4 Ų121.482%0.81866%0.658SS**THydrogen-bonded Turntrans-66.9-10.2175.5-67.3-176.9-54.500114.1M478 S479M478-Q482 PolarHBondContact O-N 3.35Å; S479-Q482 PolarHBondContact O-N 3.04Å
483R59.4Low60.6Low199 Ų199125.8 Ų125.875%0.75167%0.665SS**THydrogen-bonded Turntrans-102-0.2176.1-63.6177.970.293.92.6113.2S479 N480 L481 L485S479-R483 WeakPolarHBondContact O-CG 3.49Å; S479-R483 PolarHBondContact O-N 3.21Å; N480-R483 PolarHBondContact O-N 2.85Å; L481-R483 PolarHBondContact O-N 3.07Å; L481-R483 VanDerWaalsContact O-N 3.14Å; R483-L485 PolarHBondContact O-N 2.72Å; R483-L485 VanDerWaalsContact O-N 3.11Å
484A56Low60Low74 Ų74126.9 Ų126.961%0.61267%0.67SS**  trans-77.193173.500000110.1L481L481-A484 WeakPolarHBondContact O-CB 3.48Å; L481-A484 PolarHBondContact O-N 2.85Å; L481-A484 VanDerWaalsContact O-N 3.13Å
485L61.3Low59.7Low152 Ų152125.3 Ų125.380%0.79667%0.672SS**PPolyproline II helixtrans-55.8146.1163.9-75.5167.7000109.8R483 R487R483-L485 PolarHBondContact O-N 2.72Å; R483-L485 VanDerWaalsContact O-N 3.11Å; L485-R487 PolarHBondContact O-N 2.68Å
486P53.6Low58.8Low126 Ų126133.7 Ų133.782%0.81870%0.696SS**PPolyproline II helixtrans-53.5116.2175-25.734.7000110.9D488P486-D488 PolarHBondContact O-N 2.71Å
487R56.6Low58.2Low218 Ų218139.1 Ų139.182%0.82371%0.712SS**PPolyproline II helixtrans-72.7118.3164-78.1-76.1-178.5158.7-0.6106.8L485 D489L485-R487 PolarHBondContact O-N 2.68Å; R487-D489 PolarHBondContact O-N 3.36Å
488D53.6Low57.4Low145 Ų145143.2 Ų143.278%0.77573%0.726SS**  trans-72.375.4165.8-167.661000108.5P486 G490P486-D488 PolarHBondContact O-N 2.71Å; D488-G490 VanDerWaalsContact C-N 3.26Å; D488-G490 PolarHBondContact O-N 3.11Å
489D56.5Low56.9Low125 Ų125142.9 Ų142.967%0.66874%0.735SS**  trans-68.892.2165.4-84.6-38.8000106.9R487 T491R487-D489 PolarHBondContact O-N 3.36Å; D489-T491 PolarHBondContact O-N 3.3Å; D489-T491 PolarHBondContact O-OG1 3.13Å
490G59.8Low56Low59 Ų59145.6 Ų145.661%0.60875%0.749SS**  trans-5924.1-170.900000117.6D488 S492D488-G490 VanDerWaalsContact C-N 3.26Å; D488-G490 PolarHBondContact O-N 3.11Å; G490-S492 PolarHBondContact O-N 2.87Å
491T58.3Low55.4Low121 Ų121147.6 Ų147.674%0.74276%0.76SS**  trans-67.328165.863.10000113.7D489 R493D489-T491 PolarHBondContact O-N 3.3Å; D489-T491 PolarHBondContact O-OG1 3.13Å; T491-R493 PolarHBondContact O-N 2.82Å
492S53.1Low54.7Low97 Ų97148.7 Ų148.768%0.67877%0.766SS**  trans-49.8106.9174.2-72.30000110.6G490 K494G490-S492 PolarHBondContact O-N 2.87Å; S492-K494 PolarHBondContact O-N 3.14Å
493R60.1Low54.7Low233 Ų233146 Ų14688%0.87976%0.764SS**  trans-63.394.5-175.2-76.8179.4162.6-164.5-5.4110.7T491 T495T491-R493 PolarHBondContact O-N 2.82Å; R493-T495 PolarHBondContact O-N 3.14Å
494K60.8Low53.7Low201 Ų201148.3 Ų148.387%0.87479%0.79SS**  trans-61.993176.5-171.9170.7-179173.70110.6S492S492-K494 PolarHBondContact O-N 3.14Å
495T61.6Low53.6Low110 Ų110152.1 Ų152.168%0.67580%0.798SS**  trans-67.3149.2175.5510000110.5R493 H497R493-T495 PolarHBondContact O-N 3.14Å; T495-H497 PolarHBondContact O-N 2.98Å
496R52.8Low53.2Low243 Ų243152.1 Ų152.192%0.91780%0.799SS**SBendtrans-78.337-172.4-76-174.2160.2-147.5-3114.3
497H52.4Low53.2Low167 Ų167153.5 Ų153.577%0.77380%0.797SS**  trans-132.947.4-174.6-62.4-59000113.6T495T495-H497 PolarHBondContact O-N 2.98Å
498N44.3Very low53Low143 Ų143149.7 Ų149.777%0.76580%0.796SS**  trans-155.7122.3147.6-130.9-40.6000110.7
499S47.2Very low53Low107 Ų107150 Ų15075%0.74880%0.797SS**  trans-155.280.6176.358.70000108.4
500T48.1Very low52.7Low116 Ų116151.7 Ų151.771%0.71281%0.806SS**  trans-119.155.7176.2-470000108.7
501D48.8Very low52.2Low155 Ų155158.3 Ų158.383%0.82982%0.82SS**  trans-84.8111167.8-69.9-64.2000108.3
502L45Very low51.8Low157 Ų157161.2 Ų161.282%0.82283%0.826SS**  trans-99.8133.2164.4-77.9169.6000108.1
503P59.3Low51.7Low119 Ų119166.5 Ų166.577%0.77384%0.838SS**  trans-80.7140.7-174.332.3-35.1000112.4
504L39.5Very low50.9Low247 Ų247160.5 Ų160.5100%1.29384%0.835SS**  trans-157.30155.7-110.1166000109.6

Retrieved 504 of 504 residues in 142.1 ms (Link to these results)