A0A077ZAV3_TRITR Loading...

Forkhead box protein K2

AlphaFold DB , UniProt , Accession A0A077ZAV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 603 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.9Very low35.8Very low249 Ų249152.9 Ų152.9100%1.22781%0.813SS**  0142.80-60.2171.3179.500107
2A34.3Very low35.2Very low82 Ų82156.5 Ų156.568%0.67882%0.822SS**  cis-172.9165.2-20.400000105.2
3T42.9Very low34.8Very low123 Ų123154.6 Ų154.676%0.75581%0.813SS**  trans59.2123-173.352.80000114.1
4E40Very low34.4Very low153 Ų153150.6 Ų150.672%0.71580%0.804SS**  74134.952.1-61.6-178107.800112.9
5Q39.7Very low34.1Very low154 Ų154155.5 Ų155.572%0.7281%0.809SS**  cis-153.4155.62.6-125.6174.147.600112.6
6S37.1Very low33.7Very low97 Ų97153.3 Ų153.368%0.67880%0.804SS**  trans23.1119.9157.856.80000121.8
7V33.4Very low33.4Very low141 Ų141150.5 Ų150.586%0.85580%0.799SS**  trans-58142.3148.3174.30000110.6
8S33.5Very low33.2Very low103 Ų103146.7 Ų146.772%0.7279%0.787SS**  trans-151.5137.7153.262.90000110.7
9E28.5Very low33.3Very low184 Ų184146.7 Ų146.786%0.8679%0.792SS**  trans-76.3131.4-176.7-65.3147.798.600112.1
10R31.6Very low33.3Very low230 Ų230145.7 Ų145.787%0.86879%0.786SS**  trans-138.2142.3153.5-71-168.6173.9167.40.6108.6E12R10-E12 PolarHBondContact O-N 2.86Å
11L34.5Very low33.4Very low166 Ų166144.8 Ų144.887%0.86978%0.781SS**  trans-70.998.5-174.5-76.373.7000110.6D13L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.27Å
12E28.1Very low33.3Very low196 Ų196138.3 Ų138.392%0.91676%0.755SS**  trans-82.781.6153.7-66.8-169.7139.300108.7R10R10-E12 PolarHBondContact O-N 2.86Å
13D30.6Very low33.2Very low132 Ų132142 Ų14271%0.70676%0.764SS**  trans-126.6106166.5-111.2-40.3000109.4L11 Y15L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.27Å; D13-Y15 PolarHBondContact O-N 3.29Å; D13-Y15 VanDerWaalsContact O-N 3.14Å
14S28.6Very low33Very low98 Ų98145.7 Ų145.769%0.68576%0.764SS**  trans-74.5101.6-16651.30000112.7T16S14-T16 PolarHBondContact O-N 3.48Å
15Y30.4Very low33Very low224 Ų224149 Ų14988%0.87877%0.77SS**  trans-74.848167.8-92.1-91000113.5D13 C17D13-Y15 PolarHBondContact O-N 3.29Å; D13-Y15 VanDerWaalsContact O-N 3.14Å; Y15-C17 PolarHBondContact O-N 3.22Å
16T27.5Very low33Very low121 Ų121145.4 Ų145.474%0.74276%0.755SS**  trans-78.868.4160.751.40000109.1S14 S18S14-T16 PolarHBondContact O-N 3.48Å; T16-S18 PolarHBondContact O-N 2.83Å
17C28.3Very low33.5Very low106 Ų106143.4 Ų143.472%0.71674%0.741SS**  trans-70.4116.1174.6-167.80000108.9Y15Y15-C17 PolarHBondContact O-N 3.22Å
18S29Very low34.3Very low82 Ų82143.4 Ų143.457%0.57373%0.726SS**  trans-68159.3-173.9-150.50000112.2T16 D20T16-S18 PolarHBondContact O-N 2.83Å; S18-D20 VanDerWaalsContact CB-OD2 3.28Å; S18-D20 WeakPolarHBondContact CB-OD2 3.16Å; S18-D20 PolarHBondContact O-N 2.92Å; S18-D20 PolarHBondContact OG-OD2 2.85Å
19V35.9Very low35.2Very low146 Ų146139.9 Ų139.989%0.88570%0.698SS**THydrogen-bonded Turntrans-77.313.2-172.3-172.10000112.3
20D33.7Very low35.6Very low126 Ų126139.4 Ų139.467%0.67469%0.69SS**THydrogen-bonded Turntrans-120.1-10.7-154-53.1-80.6000115.2S18S18-D20 VanDerWaalsContact CB-OD2 3.28Å; S18-D20 WeakPolarHBondContact CB-OD2 3.16Å; S18-D20 PolarHBondContact O-N 2.92Å; S18-D20 PolarHBondContact OG-OD2 2.85Å
21D34.9Very low36.1Very low128 Ų128131.7 Ų131.768%0.68467%0.666SS**SBendtrans-100.50.6-166.5-152.14000115
22V37Very low36.8Very low113 Ų113132.9 Ų132.969%0.68567%0.667SS**  trans-110.142.8-172.9-157.70000113.2R24V22-R24 PolarHBondContact O-N 3.18Å
23N32.2Very low38.1Very low159 Ų159132.2 Ų132.285%0.8566%0.661SS**  trans-8615.4166.8-149.1-5.3000112.7R25N23-R25 PolarHBondContact O-N 3.49Å; N23-R25 VanDerWaalsContact O-N 3.09Å
24R39.4Very low38.7Very low200 Ų200130.7 Ų130.776%0.75565%0.653SS**SBendtrans-75.490.5171.6-66.5-169.8-174.5-152.83.9110.4V22 L26V22-R24 PolarHBondContact O-N 3.18Å; R24-L26 PolarHBondContact O-N 3.46Å
25R39.5Very low39.4Very low224 Ų224132.2 Ų132.285%0.84566%0.664SS**  trans5.280.1166.2-75.8-179.4161.4176.1-5.4116N23 S27N23-R25 PolarHBondContact O-N 3.49Å; N23-R25 VanDerWaalsContact O-N 3.09Å; R25-S27 PolarHBondContact O-N 2.86Å
26L40.4Very low40Very low78 Ų78125.1 Ų125.141%0.40865%0.652SS.*  trans-70.8124.7167.9-72.7168.9000109.8R24 W28R24-L26 PolarHBondContact O-N 3.46Å; L26-W28 HydrophobicContact CD1-CZ2 4.39Å
27S45.9Very low41Very low55 Ų55124.5 Ų124.539%0.38566%0.659SS.*EExtended strand (participates in β ladder)trans-100.3113.4178.6-172.30000110.6R25R25-S27 PolarHBondContact O-N 2.86Å
28W51.2Low42.5Very low140 Ų140123 Ų12353%0.5364%0.638SS.*EExtended strand (participates in β ladder)trans-88.1118.8-177.1-60.9106.2000111.8L26 Y30 V52L26-W28 HydrophobicContact CD1-CZ2 4.39Å; W28-Y30 HydrophobicContact CB-CD2 4.22Å; W28-Y30 HydrophobicContact CB-CE1 4.28Å; W28-Y30 HydrophobicContact CB-CE2 3.54Å; W28-Y30 HydrophobicContact CG-CE2 4.5Å; W28-Y30 PolarHBondContact O-N 3.47Å; W28-V52 HydrophobicContact CZ3-CB 4.38Å
29L52Low44.9Very low29 Ų29124 Ų12415%0.15264%0.64CS.*  trans-92.779.7-177.9-105.1165.2000112.3K55 D70 I71L29-K55 WeakPolarHBondContact O-CE 3.08Å; L29-D70 HydrophobicContact CD1-CB 3.9Å; L29-D70 HydrophobicContact CD2-CB 3.69Å; L29-D70 WeakPolarHBondContact CD2-O 3.39Å; L29-D70 HydrophobicContact CG-CB 4.44Å; L29-I71 HydrophobicContact CD1-CD1 4.44Å; L29-I71 HydrophobicContact CD1-CG1 3.59Å
30Y38Very low47.3Very low174 Ų174120 Ų12068%0.68262%0.617SS**  trans-68.4156.8177.4-57.8-72.4000113.3W28 K55W28-Y30 HydrophobicContact CB-CD2 4.22Å; W28-Y30 HydrophobicContact CB-CE1 4.28Å; W28-Y30 HydrophobicContact CB-CE2 3.54Å; W28-Y30 HydrophobicContact CG-CE2 4.5Å; W28-Y30 PolarHBondContact O-N 3.47Å; Y30-K55 WeakPolarHBondContact O-CE 3.35Å; Y30-K55 PolarHBondContact O-NZ 3.23Å
31D42Very low49.9Very low69 Ų69115.6 Ų115.637%0.36959%0.594SS.*  trans-139.3127.7161156.768.4000105.8K33 R38 K55D31-K33 PolarHBondContact O-N 3.17Å; D31-R38 PolarHBondContact O-NH1 3.19Å; D31-R38 IonicContact OD2-CZ 2.95Å; D31-R38 IonicContact OD2-NH1 3.72Å; D31-R38 IonicContact OD2-NH2 3.22Å; D31-R38 PolarHBondContact OD2-NH2 2.68Å; D31-K55 HydrophobicContact CB-CD 4.38Å
32E49.2Very low52.7Low190 Ų190109.5 Ų109.589%0.88856%0.561SS**THydrogen-bonded Turntrans-75.15.8-157.6-65.1-177.3109.300115.5
33K53.6Low55.3Low182 Ų182109.5 Ų109.579%0.79155%0.549SS*.THydrogen-bonded Turntrans-105.7-17.9-166.9-70.7-169.7173.8-176.20117.8D31D31-K33 PolarHBondContact O-N 3.17Å
34D44.8Very low58.2Low101 Ų101101.9 Ų101.954%0.5451%0.508SS..  trans-116.6101.8169-50.2-50.4000110.7A36 R38D34-A36 PolarHBondContact O-N 2.77Å; D34-A36 VanDerWaalsContact O-N 3.16Å; D34-R38 VanDerWaalsContact CG-NH2 3.32Å; D34-R38 IonicContact OD2-CZ 3.74Å; D34-R38 IonicContact OD2-NE 2.7Å; D34-R38 PolarHBondContact OD2-NE 3.03Å; D34-R38 IonicContact OD2-NH2 2.82Å; D34-R38 PolarHBondContact OD2-NH2 3.49Å
35S42.9Very low60.7Low130 Ų13093.4 Ų93.491%0.90948%0.478SS*.  trans-81.421.2179.9-51.40000114.1
36A42.3Very low62.9Low75 Ų7584.4 Ų84.462%0.6245%0.449SS*.SBendtrans-117.5129.3-178.100000110.6D34 R38D34-A36 PolarHBondContact O-N 2.77Å; D34-A36 VanDerWaalsContact O-N 3.16Å; A36-R38 PolarHBondContact O-N 2.93Å
37A48.6Very low64.9Low108 Ų10886.9 Ų86.989%0.89346%0.463SS*.  trans-27.188.5-175.400000115.9V39A37-V39 PolarHBondContact O-N 2.95Å
38R59.6Low66.5Low75 Ų7592.8 Ų92.828%0.28348%0.484SS..PPolyproline II helixtrans-72.2124-179-71.9-170174.3136-18.1111D31 D34 A36 C54D31-R38 PolarHBondContact O-NH1 3.19Å; D31-R38 IonicContact OD2-CZ 2.95Å; D31-R38 IonicContact OD2-NH1 3.72Å; D31-R38 IonicContact OD2-NH2 3.22Å; D31-R38 PolarHBondContact OD2-NH2 2.68Å; D34-R38 VanDerWaalsContact CG-NH2 3.32Å; D34-R38 IonicContact OD2-CZ 3.74Å; D34-R38 IonicContact OD2-NE 2.7Å; D34-R38 PolarHBondContact OD2-NE 3.03Å; D34-R38 IonicContact OD2-NH2 2.82Å; D34-R38 PolarHBondContact OD2-NH2 3.49Å; A36-R38 PolarHBondContact O-N 2.93Å; R38-C54 HydrophobicContact CB-CB 3.99Å
39V79Confident68.1Low102 Ų10288.2 Ų88.262%0.61847%0.472SS*.PPolyproline II helixtrans-62.2138176.2179.50000110.3A37 L41A37-V39 PolarHBondContact O-N 2.95Å; V39-L41 PolarHBondContact O-N 2.74Å
40P86.6Confident69.8Low61 Ų6188.9 Ų88.940%0.39648%0.479SS..PPolyproline II helixtrans-69120.7172.929.7-35.4000110.4V52 L142P40-V52 HydrophobicContact CB-CG1 3.66Å; P40-L142 HydrophobicContact CB-CD1 3.94Å; P40-L142 HydrophobicContact CG-CD1 4.5Å
41L89.3Confident72.2Confident35 Ų3581.7 Ų81.718%0.18345%0.451CS..  trans-96.8-28.7-174.6-55.2176.1000112.6V39 V53 L89 W95 L142 T143V39-L41 PolarHBondContact O-N 2.74Å; L41-V53 PolarHBondContact N-O 3.37Å; L41-L89 HydrophobicContact CD1-CD2 4.04Å; L41-L89 HydrophobicContact CD2-CD2 4.38Å; L41-W95 HydrophobicContact CB-CH2 4.4Å; L41-W95 HydrophobicContact CB-CZ2 3.8Å; L41-L142 PolarHBondContact O-N 3.07Å; L41-T143 HydrophobicContact CB-CG2 4.23Å; L41-T143 HydrophobicContact CD2-CG2 4.12Å; L41-T143 PolarHBondContact O-N 3.23Å
42A92.3Very high74.5Confident0 Ų079.7 Ų79.70%044%0.441CS..EExtended strand (participates in β ladder)trans-155.1166.717300000111.4V53 W95 F139 R140A42-V53 HydrophobicContact CB-CB 4.05Å; A42-V53 HydrophobicContact CB-CG1 4.36Å; A42-V53 PolarHBondContact N-O 3.02Å; A42-V53 WeakPolarHBondContact O-CB 3.36Å; A42-V53 PolarHBondContact O-N 3.15Å; A42-W95 HydrophobicContact CB-CH2 4.34Å; A42-W95 HydrophobicContact CB-CZ2 3.67Å; A42-F139 HydrophobicContact CB-CD2 4.47Å; A42-F139 HydrophobicContact CB-CE2 3.56Å; A42-F139 HydrophobicContact CB-CZ 3.85Å; A42-R140 CarbonylContact C-O 3.48Å; A42-R140 VanDerWaalsContact CA-O 3.25Å; A42-R140 WeakPolarHBondContact CA-O 3.4Å; A42-R140 WeakPolarHBondContact CB-O 3.47Å
43R91.8Very high76.4Confident112 Ų11270.7 Ų70.742%0.42340%0.399SS..EExtended strand (participates in β ladder)trans-118.1142.3164.9-158.9173.881.7-172.66.6109D45 F51 R140 L142R43-D45 IonicContact CZ-OD1 3.71Å; R43-D45 IonicContact CZ-OD2 2.89Å; R43-D45 VanDerWaalsContact NE-CG 3.28Å; R43-D45 IonicContact NE-OD1 3.59Å; R43-D45 PolarHBondContact NE-OD1 3.09Å; R43-D45 IonicContact NE-OD2 3.5Å; R43-D45 PolarHBondContact NE-OD2 3.16Å; R43-D45 IonicContact NH2-OD1 3.26Å; R43-D45 IonicContact NH2-OD2 3.43Å; R43-D45 PolarHBondContact NH2-OD2 3.32Å; R43-F51 WeakPolarHBondContact CA-O 3.28Å; R43-F51 WeakPolarHBondContact CG-O 3.46Å; R43-R140 PolarHBondContact N-O 3.05Å; R43-R140 PolarHBondContact O-N 2.92Å; R43-L142 HydrophobicContact CB-CD1 4.46Å
44V93.4Very high78Confident0 Ų063.3 Ų63.30%037%0.37CS..EExtended strand (participates in β ladder)trans-127108172.8-177.70000107.3F51 V53 I60 I71 L137 H138 F139V44-F51 HydrophobicContact CB-CB 4.4Å; V44-F51 PolarHBondContact N-O 2.93Å; V44-F51 PolarHBondContact O-N 3.09Å; V44-V53 HydrophobicContact CG2-CG2 4Å; V44-I60 HydrophobicContact CG1-CD1 4.46Å; V44-I71 HydrophobicContact CB-CD1 3.92Å; V44-I71 HydrophobicContact CG1-CD1 4.11Å; V44-I71 HydrophobicContact CG2-CD1 3.99Å; V44-L137 HydrophobicContact CG1-CB 4.02Å; V44-L137 HydrophobicContact CG1-CD1 4.26Å; V44-L137 HydrophobicContact CG1-CD2 4.36Å; V44-L137 HydrophobicContact CG1-CG 4.45Å; V44-H138 WeakPolarHBondContact CA-O 3.23Å; V44-F139 HydrophobicContact CG2-CD2 3.99Å
45D91.6Very high80Confident21 Ų2160.5 Ų60.511%0.11235%0.353CS..EExtended strand (participates in β ladder)trans-95.6140.3178.2-58.5-52000110.4R43 S50 L137 H138R43-D45 IonicContact CZ-OD1 3.71Å; R43-D45 IonicContact CZ-OD2 2.89Å; R43-D45 VanDerWaalsContact NE-CG 3.28Å; R43-D45 IonicContact NE-OD1 3.59Å; R43-D45 PolarHBondContact NE-OD1 3.09Å; R43-D45 IonicContact NE-OD2 3.5Å; R43-D45 PolarHBondContact NE-OD2 3.16Å; R43-D45 IonicContact NH2-OD1 3.26Å; R43-D45 IonicContact NH2-OD2 3.43Å; R43-D45 PolarHBondContact NH2-OD2 3.32Å; D45-S50 WeakPolarHBondContact OD1-CB 3.33Å; D45-S50 PolarHBondContact OD1-OG 2.88Å; D45-L137 CarbonylContact O-C 3.56Å; D45-L137 VanDerWaalsContact O-CA 3.27Å; D45-L137 WeakPolarHBondContact O-CA 3.47Å; D45-H138 HydrophobicContact CB-CB 4.36Å; D45-H138 PolarHBondContact N-O 3.43Å; D45-H138 PolarHBondContact O-N 3.15Å
46S87.3Confident82.2Confident35 Ų3558 Ų5825%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-124.4166.8168.168.40000109.2E48 V49S46-E48 PolarHBondContact O-N 2.91Å; S46-V49 PolarHBondContact N-O 3.22Å; S46-V49 PolarHBondContact O-N 2.79Å; S46-V49 PolarHBondContact OG-N 3.22Å; S46-V49 VanDerWaalsContact OG-N 3.09Å; S46-V49 PolarHBondContact OG-O 2.92Å
47D81.9Confident84.5Confident131 Ų13161 Ų6170%0.70133%0.331SS*.SBendtrans-57.8-25.7-176.4-52.3-60.1000113.4
48E79.7Confident86.6Confident179 Ų17956 Ų5684%0.83629%0.289SS*.SBendtrans-107.3-31.6179.1-63.7-175.3-178.800114.7S46S46-E48 PolarHBondContact O-N 2.91Å
49V84.9Confident88.2Confident43 Ų4353.7 Ų53.726%0.26128%0.284SS..  trans-143.6134.6-167.6-176.70000112.4S46 F51S46-V49 PolarHBondContact N-O 3.22Å; S46-V49 PolarHBondContact O-N 2.79Å; S46-V49 PolarHBondContact OG-N 3.22Å; S46-V49 VanDerWaalsContact OG-N 3.09Å; S46-V49 PolarHBondContact OG-O 2.92Å; V49-F51 HydrophobicContact CB-CE2 3.87Å; V49-F51 HydrophobicContact CB-CZ 3.98Å; V49-F51 HydrophobicContact CG1-CD1 4.43Å; V49-F51 HydrophobicContact CG1-CD2 4.23Å; V49-F51 HydrophobicContact CG1-CE1 3.97Å; V49-F51 HydrophobicContact CG1-CE2 3.74Å; V49-F51 HydrophobicContact CG1-CZ 3.6Å
50S86.9Confident88.9Confident44 Ų4448.9 Ų48.931%0.30825%0.254SS..EExtended strand (participates in β ladder)trans-95.8130.2167.6-69.70000111.7D45D45-S50 WeakPolarHBondContact OD1-CB 3.33Å; D45-S50 PolarHBondContact OD1-OG 2.88Å
51F89.5Confident89.2Confident23 Ų2346 Ų4610%0.10124%0.235CC..EExtended strand (participates in β ladder)trans-110.9132.1176.9-58.5-90.7000110.4R43 V44 V49 I71R43-F51 WeakPolarHBondContact CA-O 3.28Å; R43-F51 WeakPolarHBondContact CG-O 3.46Å; V44-F51 HydrophobicContact CB-CB 4.4Å; V44-F51 PolarHBondContact N-O 2.93Å; V44-F51 PolarHBondContact O-N 3.09Å; V49-F51 HydrophobicContact CB-CE2 3.87Å; V49-F51 HydrophobicContact CB-CZ 3.98Å; V49-F51 HydrophobicContact CG1-CD1 4.43Å; V49-F51 HydrophobicContact CG1-CD2 4.23Å; V49-F51 HydrophobicContact CG1-CE1 3.97Å; V49-F51 HydrophobicContact CG1-CE2 3.74Å; V49-F51 HydrophobicContact CG1-CZ 3.6Å; F51-I71 HydrophobicContact CB-CD1 4.01Å; F51-I71 HydrophobicContact CB-CG1 4.44Å; F51-I71 HydrophobicContact CD1-CG1 4.33Å; F51-I71 HydrophobicContact CD1-CG2 4.46Å; F51-I71 HydrophobicContact CD2-CG2 4.03Å; F51-I71 HydrophobicContact CE1-CG2 4.33Å; F51-I71 HydrophobicContact CE2-CG2 3.9Å; F51-I71 HydrophobicContact CG-CD1 4.2Å; F51-I71 HydrophobicContact CG-CG1 4.26Å; F51-I71 HydrophobicContact CG-CG2 4.31Å; F51-I71 HydrophobicContact CZ-CG2 4.06Å
52V89.6Confident89.2Confident26 Ų2647.2 Ų47.216%0.15824%0.237CC..EExtended strand (participates in β ladder)trans-98.9122.2172.1-178.10000108.8W28 P40W28-V52 HydrophobicContact CZ3-CB 4.38Å; P40-V52 HydrophobicContact CB-CG1 3.66Å
53V89.3Confident89.1Confident2 Ų254.7 Ų54.71%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-95112.1-176.9168.30000109.7L41 A42 V44 K55 V58 I71 W95L41-V53 PolarHBondContact N-O 3.37Å; A42-V53 HydrophobicContact CB-CB 4.05Å; A42-V53 HydrophobicContact CB-CG1 4.36Å; A42-V53 PolarHBondContact N-O 3.02Å; A42-V53 WeakPolarHBondContact O-CB 3.36Å; A42-V53 PolarHBondContact O-N 3.15Å; V44-V53 HydrophobicContact CG2-CG2 4Å; V53-K55 WeakPolarHBondContact CG1-O 3.21Å; V53-V58 HydrophobicContact CB-CG2 4.37Å; V53-V58 HydrophobicContact CG1-CG2 3.44Å; V53-V58 VanDerWaalsContact CG1-CG2 3.44Å; V53-V58 HydrophobicContact CG2-CG2 4.06Å; V53-I71 HydrophobicContact CG2-CD1 4.41Å; V53-W95 HydrophobicContact CG1-CH2 3.75Å; V53-W95 HydrophobicContact CG1-CZ2 4.38Å
54C87.4Confident88.7Confident27 Ų2750 Ų5018%0.18225%0.251CS..  trans-109.110.8174.8-56.20000113R38R38-C54 HydrophobicContact CB-CB 3.99Å
55K86.6Confident88.2Confident42 Ų4258.2 Ų58.218%0.18329%0.29CS..SBendtrans-110.5142.9179.3-56.3-175.4-172.9-175.10110.2L29 Y30 D31 V53 R57 V58 D70L29-K55 WeakPolarHBondContact O-CE 3.08Å; Y30-K55 WeakPolarHBondContact O-CE 3.35Å; Y30-K55 PolarHBondContact O-NZ 3.23Å; D31-K55 HydrophobicContact CB-CD 4.38Å; V53-K55 WeakPolarHBondContact CG1-O 3.21Å; K55-R57 VanDerWaalsContact CB-O 3.25Å; K55-R57 WeakPolarHBondContact CB-O 3.28Å; K55-R57 PolarHBondContact O-N 3.21Å; K55-V58 HydrophobicContact CB-CG2 4.21Å; K55-D70 IonicContact NZ-OD1 3.63Å; K55-D70 PolarHBondContact NZ-OD1 3.19Å
56S87.9Confident87.8Confident76 Ų7664.8 Ų64.853%0.53131%0.313SS..SBendtrans-70.5-14.1172.353.90000113.6Q88 L89S56-Q88 WeakPolarHBondContact O-CA 3.27Å; S56-L89 PolarHBondContact O-N 3.42Å
57R91.6Very high87.5Confident140 Ų14066 Ų6653%0.52832%0.321SS..EExtended strand (participates in β ladder)trans-134.1131.1176.6-176.6-177.9-173.6-152.1-4109.3K55 E86 L87 Q88K55-R57 VanDerWaalsContact CB-O 3.25Å; K55-R57 WeakPolarHBondContact CB-O 3.28Å; K55-R57 PolarHBondContact O-N 3.21Å; R57-E86 HydrophobicContact CG-CG 4.25Å; R57-E86 IonicContact CZ-OE1 2.7Å; R57-E86 IonicContact CZ-OE2 3.69Å; R57-E86 IonicContact NE-OE1 3.83Å; R57-E86 PolarHBondContact NE-OE1 3.45Å; R57-E86 IonicContact NE-OE2 3.17Å; R57-E86 VanDerWaalsContact NH2-CD 3.28Å; R57-E86 IonicContact NH2-OE1 2.81Å; R57-E86 PolarHBondContact NH2-OE1 2.91Å; R57-E86 VanDerWaalsContact NH2-OE1 3.16Å; R57-E86 IonicContact NH2-OE2 2.97Å; R57-E86 PolarHBondContact NH2-OE2 3.35Å; R57-L87 CarbonylContact C-O 3.58Å; R57-L87 WeakPolarHBondContact CA-O 3.12Å; R57-Q88 HydrophobicContact CG-CG 4.33Å
58V92.6Very high87.6Confident2 Ų264 Ų641%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-137.5124.5178.9177.40000110.3V53 K55 I60 D70 I71 E86 L87V53-V58 HydrophobicContact CB-CG2 4.37Å; V53-V58 HydrophobicContact CG1-CG2 3.44Å; V53-V58 VanDerWaalsContact CG1-CG2 3.44Å; V53-V58 HydrophobicContact CG2-CG2 4.06Å; K55-V58 HydrophobicContact CB-CG2 4.21Å; V58-I60 HydrophobicContact CG1-CG1 4.08Å; V58-D70 HydrophobicContact CG1-CB 3.84Å; V58-I71 HydrophobicContact CG1-CD1 3.95Å; V58-I71 HydrophobicContact CG1-CG1 4.02Å; V58-E86 CarbonylContact O-C 3.6Å; V58-E86 WeakPolarHBondContact O-CA 3.44Å; V58-L87 PolarHBondContact N-O 2.98Å; V58-L87 PolarHBondContact O-N 3.31Å
59V93.1Very high88.1Confident27 Ų2756.1 Ų56.116%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-94.1127.5173-1790000109.9P69 D70 I71 A83 E86V59-P69 HydrophobicContact CG1-CB 4.09Å; V59-D70 PolarHBondContact N-OD2 3.45Å; V59-D70 WeakPolarHBondContact O-CB 3.39Å; V59-D70 PolarHBondContact O-N 3.49Å; V59-I71 PolarHBondContact O-N 3.11Å; V59-I71 VanDerWaalsContact O-N 3.07Å; V59-A83 HydrophobicContact CG1-CB 3.45Å; V59-A83 VanDerWaalsContact CG1-CB 3.45Å; V59-E86 HydrophobicContact CG2-CG 4.14Å
60I93.3Very high88.3Confident0 Ų056.1 Ų56.10%028%0.278CS..EExtended strand (participates in β ladder)trans-115132.5177.5-48.7-164.3000109.9V44 V58 I71 I73 H84 L85 L87 F130 L137V44-I60 HydrophobicContact CG1-CD1 4.46Å; V58-I60 HydrophobicContact CG1-CG1 4.08Å; I60-I71 HydrophobicContact CB-CB 4.39Å; I60-I71 HydrophobicContact CD1-CB 4.31Å; I60-I71 HydrophobicContact CD1-CD1 3.86Å; I60-I71 HydrophobicContact CG1-CB 4.02Å; I60-I71 HydrophobicContact CG1-CD1 4.26Å; I60-I71 HydrophobicContact CG1-CG1 4.46Å; I60-I71 HydrophobicContact CG2-CB 4.09Å; I60-I71 HydrophobicContact CG2-CG2 4.12Å; I60-I73 HydrophobicContact CG2-CD1 3.63Å; I60-I73 HydrophobicContact CG2-CG1 4.1Å; I60-H84 PolarHBondContact O-N 2.92Å; I60-L85 HydrophobicContact CB-CD1 3.88Å; I60-L85 HydrophobicContact CB-CG 4.02Å; I60-L85 HydrophobicContact CD1-CD1 3.95Å; I60-L85 HydrophobicContact CG1-CD1 3.85Å; I60-L85 PolarHBondContact N-O 2.9Å; I60-L85 PolarHBondContact O-N 3.09Å; I60-L85 VanDerWaalsContact O-N 3.17Å; I60-L87 HydrophobicContact CD1-CD1 4.02Å; I60-F130 HydrophobicContact CG2-CZ 4.43Å; I60-L137 HydrophobicContact CD1-CD1 4.17Å; I60-L137 HydrophobicContact CG2-CD1 3.83Å
61G92.1Very high88.5Confident0 Ų054.1 Ų54.10%026%0.264CS..EExtended strand (participates in β ladder)trans172-168.4178.400000115P69 I71 I73 S81 R82G61-P69 WeakPolarHBondContact O-CG 3.34Å; G61-I71 PolarHBondContact N-O 3.46Å; G61-I71 VanDerWaalsContact N-O 3.14Å; G61-I73 PolarHBondContact O-N 2.93Å; G61-S81 CarbonylContact C-O 3.6Å; G61-S81 VanDerWaalsContact CA-O 3.26Å; G61-S81 WeakPolarHBondContact CA-O 3.14Å; G61-R82 CarbonylContact C-O 3.41Å; G61-R82 WeakPolarHBondContact CA-O 3.44Å
62R91.3Very high88.3Confident61 Ų6154.7 Ų54.723%0.2328%0.277CS..EExtended strand (participates in β ladder)trans-75135.8178.2166.2164.153.8120.2-12.4111.3C78 V80 S81 R82R62-C78 VanDerWaalsContact CZ-CB 3.46Å; R62-C78 PolarHBondContact NH1-SG 3.1Å; R62-C78 PolarHBondContact NH2-O 2.95Å; R62-V80 HydrophobicContact CB-CB 4.46Å; R62-V80 HydrophobicContact CB-CG1 4.43Å; R62-V80 PolarHBondContact NE-O 3.34Å; R62-V80 PolarHBondContact NH2-O 2.99Å; R62-S81 PolarHBondContact N-O 3.06Å; R62-R82 PolarHBondContact N-O 3.48Å; R62-R82 VanDerWaalsContact O-CA 3.29Å; R62-R82 WeakPolarHBondContact O-CA 3.32Å
63Y88.7Confident88.2Confident158 Ų15854.3 Ų54.362%0.6227%0.273SS*.  trans-54.1142.8177.2-173.6-94.6000113.1P68Y63-P68 HydrophobicContact CD2-CB 4.33Å; Y63-P68 HydrophobicContact CE2-CB 3.93Å
64S85Confident87.8Confident12 Ų1260.3 Ų60.38%0.08431%0.31CS..  trans-151.7124.3-175.9169.80000111R66 S67 P68S64-R66 PolarHBondContact O-N 2.98Å; S64-R66 VanDerWaalsContact O-N 3.11Å; S64-S67 WeakPolarHBondContact CB-O 3.4Å; S64-S67 CarbonylContact O-C 3.59Å; S64-S67 PolarHBondContact O-N 3.45Å; S64-S67 PolarHBondContact OG-OG 3.11Å; S64-P68 VanDerWaalsContact O-N 3.14Å
65Q82.3Confident87.1Confident174 Ų17460.2 Ų60.281%0.81331%0.307SS*.THydrogen-bonded Turntrans-56.8-27.3179-67.9173.6-17.400114.1
66R82.2Confident86.3Confident158 Ų15869.7 Ų69.760%0.59634%0.342SS*.THydrogen-bonded Turntrans-87.5-14.7179-66.9-168.4-179.8-142.8-4.9114S64 D228S64-R66 PolarHBondContact O-N 2.98Å; S64-R66 VanDerWaalsContact O-N 3.11Å; R66-D228 IonicContact CZ-OD1 2.68Å; R66-D228 IonicContact NH2-OD1 3.6Å; R66-D228 PolarHBondContact NH2-OD1 3.42Å; R66-D228 IonicContact NH2-OD2 3.33Å
67S80.8Confident85.5Confident61 Ų6167.9 Ų67.943%0.42734%0.335SS..SBendtrans-17177.9-168.860.90000109.4S64S64-S67 WeakPolarHBondContact CB-O 3.4Å; S64-S67 CarbonylContact O-C 3.59Å; S64-S67 PolarHBondContact O-N 3.45Å; S64-S67 PolarHBondContact OG-OG 3.11Å
68P85Confident85Confident88 Ų8863.5 Ų63.557%0.57133%0.325SS*.  trans-62.6130.5175.826.5-33.3000109.1Y63 S64Y63-P68 HydrophobicContact CD2-CB 4.33Å; Y63-P68 HydrophobicContact CE2-CB 3.93Å; S64-P68 VanDerWaalsContact O-N 3.14Å
69P89.6Confident84.6Confident14 Ų1467.2 Ų67.29%0.09135%0.345CS..  trans-68.2158.7166.131.3-34000109.5V59 G61V59-P69 HydrophobicContact CG1-CB 4.09Å; G61-P69 WeakPolarHBondContact O-CG 3.34Å
70D89.4Confident84.4Confident44 Ų4466 Ų6624%0.23534%0.337CS..SBendtrans-61.2-56.9171.6-66.5-79.6000110.1L29 K55 V58 V59L29-D70 HydrophobicContact CD1-CB 3.9Å; L29-D70 HydrophobicContact CD2-CB 3.69Å; L29-D70 WeakPolarHBondContact CD2-O 3.39Å; L29-D70 HydrophobicContact CG-CB 4.44Å; K55-D70 IonicContact NZ-OD1 3.63Å; K55-D70 PolarHBondContact NZ-OD1 3.19Å; V58-D70 HydrophobicContact CG1-CB 3.84Å; V59-D70 PolarHBondContact N-OD2 3.45Å; V59-D70 WeakPolarHBondContact O-CB 3.39Å; V59-D70 PolarHBondContact O-N 3.49Å
71I90.2Very high84.2Confident2 Ų267.3 Ų67.31%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-97.8102.1175.5-60.5178.4000108.6L29 V44 F51 V53 V58 V59 I60 G61L29-I71 HydrophobicContact CD1-CD1 4.44Å; L29-I71 HydrophobicContact CD1-CG1 3.59Å; V44-I71 HydrophobicContact CB-CD1 3.92Å; V44-I71 HydrophobicContact CG1-CD1 4.11Å; V44-I71 HydrophobicContact CG2-CD1 3.99Å; F51-I71 HydrophobicContact CB-CD1 4.01Å; F51-I71 HydrophobicContact CB-CG1 4.44Å; F51-I71 HydrophobicContact CD1-CG1 4.33Å; F51-I71 HydrophobicContact CD1-CG2 4.46Å; F51-I71 HydrophobicContact CD2-CG2 4.03Å; F51-I71 HydrophobicContact CE1-CG2 4.33Å; F51-I71 HydrophobicContact CE2-CG2 3.9Å; F51-I71 HydrophobicContact CG-CD1 4.2Å; F51-I71 HydrophobicContact CG-CG1 4.26Å; F51-I71 HydrophobicContact CG-CG2 4.31Å; F51-I71 HydrophobicContact CZ-CG2 4.06Å; V53-I71 HydrophobicContact CG2-CD1 4.41Å; V58-I71 HydrophobicContact CG1-CD1 3.95Å; V58-I71 HydrophobicContact CG1-CG1 4.02Å; V59-I71 PolarHBondContact O-N 3.11Å; V59-I71 VanDerWaalsContact O-N 3.07Å; I60-I71 HydrophobicContact CB-CB 4.39Å; I60-I71 HydrophobicContact CD1-CB 4.31Å; I60-I71 HydrophobicContact CD1-CD1 3.86Å; I60-I71 HydrophobicContact CG1-CB 4.02Å; I60-I71 HydrophobicContact CG1-CD1 4.26Å; I60-I71 HydrophobicContact CG1-CG1 4.46Å; I60-I71 HydrophobicContact CG2-CB 4.09Å; I60-I71 HydrophobicContact CG2-CG2 4.12Å; G61-I71 PolarHBondContact N-O 3.46Å; G61-I71 VanDerWaalsContact N-O 3.14Å
72G87.3Confident84.1Confident35 Ų3572.1 Ų72.136%0.36137%0.365SS..EExtended strand (participates in β ladder)trans-80.5111.6178.600000113
73I86.6Confident84.1Confident18 Ų1871.2 Ų71.29%0.09237%0.37CS..EExtended strand (participates in β ladder)trans-87.1129.7175.6-65177.8000110.4I60 G61 D75 V80 F130 L135 L137I60-I73 HydrophobicContact CG2-CD1 3.63Å; I60-I73 HydrophobicContact CG2-CG1 4.1Å; G61-I73 PolarHBondContact O-N 2.93Å; I73-D75 VanDerWaalsContact C-N 3.31Å; I73-D75 HydrophobicContact CG2-CB 4.19Å; I73-D75 PolarHBondContact O-N 2.86Å; I73-D75 VanDerWaalsContact O-N 3.12Å; I73-V80 HydrophobicContact CB-CG1 4.49Å; I73-V80 HydrophobicContact CD1-CG1 4.2Å; I73-V80 HydrophobicContact CG2-CG1 4.49Å; I73-V80 HydrophobicContact CG2-CG2 4.34Å; I73-F130 HydrophobicContact CD1-CD2 4.4Å; I73-F130 HydrophobicContact CD1-CE1 4.03Å; I73-F130 HydrophobicContact CD1-CE2 3.44Å; I73-F130 VanDerWaalsContact CD1-CE2 3.44Å; I73-F130 HydrophobicContact CD1-CZ 3.22Å; I73-L135 HydrophobicContact CG2-CD1 3.58Å; I73-L137 HydrophobicContact CD1-CD1 4.25Å
74V80.9Confident84.2Confident128 Ų12863.8 Ų63.878%0.77634%0.341SS*.  trans-85.869.8175.9-170.90000110.3
75D72.7Confident84.6Confident24 Ų2463.2 Ų63.213%0.12834%0.337CS..  trans-89.8114.8173.6169.730.7000111.4I73 G77 C78 L79 V80 L135I73-D75 VanDerWaalsContact C-N 3.31Å; I73-D75 HydrophobicContact CG2-CB 4.19Å; I73-D75 PolarHBondContact O-N 2.86Å; I73-D75 VanDerWaalsContact O-N 3.12Å; D75-G77 WeakPolarHBondContact OD1-CA 3.44Å; D75-G77 PolarHBondContact OD1-N 3.05Å; D75-C78 VanDerWaalsContact OD2-CA 3.29Å; D75-C78 WeakPolarHBondContact OD2-CA 3.46Å; D75-C78 PolarHBondContact OD2-N 3.2Å; D75-C78 VanDerWaalsContact OD2-N 3.07Å; D75-L79 PolarHBondContact OD2-N 3.13Å; D75-V80 HydrophobicContact CB-CB 3.95Å; D75-V80 HydrophobicContact CB-CG2 3.82Å; D75-V80 PolarHBondContact OD2-N 2.9Å; D75-L135 HydrophobicContact CB-CD1 4.39Å
76R69.7Low85.2Confident242 Ų24255.4 Ų55.491%0.91330%0.301SS*.THydrogen-bonded Turntrans-71.7-27.6176.5-60.4-174-174-168.33.4113.1
77G71.5Confident85.7Confident37 Ų3748 Ų4838%0.38127%0.273SS..THydrogen-bonded Turntrans-86.4-5.5-174.200000114.8D75 L79D75-G77 WeakPolarHBondContact OD1-CA 3.44Å; D75-G77 PolarHBondContact OD1-N 3.05Å; G77-L79 PolarHBondContact O-N 3.24Å; G77-L79 VanDerWaalsContact O-N 3.07Å
78C80.4Confident86.3Confident48 Ų4848.3 Ų48.332%0.32427%0.267SS..SBendtrans59.610.7-174-70.40000115.7R62 D75 V80R62-C78 VanDerWaalsContact CZ-CB 3.46Å; R62-C78 PolarHBondContact NH1-SG 3.1Å; R62-C78 PolarHBondContact NH2-O 2.95Å; D75-C78 VanDerWaalsContact OD2-CA 3.29Å; D75-C78 WeakPolarHBondContact OD2-CA 3.46Å; D75-C78 PolarHBondContact OD2-N 3.2Å; D75-C78 VanDerWaalsContact OD2-N 3.07Å; C78-V80 VanDerWaalsContact C-N 3.32Å
79L85.1Confident86.6Confident81 Ų8146 Ų4642%0.42425%0.25SC..  trans-69.1-30.4179.4-55.2176000111.7D75 G77 S132 T133D75-L79 PolarHBondContact OD2-N 3.13Å; G77-L79 PolarHBondContact O-N 3.24Å; G77-L79 VanDerWaalsContact O-N 3.07Å; L79-S132 WeakPolarHBondContact CD1-O 3.46Å; L79-T133 HydrophobicContact CB-CG2 4.09Å; L79-T133 HydrophobicContact CD1-CG2 4.17Å
80V87.5Confident86.6Confident1 Ų148.6 Ų48.61%0.00626%0.261CS..SBendtrans-77.1135.6169.3-176.90000109.5R62 I73 D75 C78 H84 F130 T133 L135R62-V80 HydrophobicContact CB-CB 4.46Å; R62-V80 HydrophobicContact CB-CG1 4.43Å; R62-V80 PolarHBondContact NE-O 3.34Å; R62-V80 PolarHBondContact NH2-O 2.99Å; I73-V80 HydrophobicContact CB-CG1 4.49Å; I73-V80 HydrophobicContact CD1-CG1 4.2Å; I73-V80 HydrophobicContact CG2-CG1 4.49Å; I73-V80 HydrophobicContact CG2-CG2 4.34Å; D75-V80 HydrophobicContact CB-CB 3.95Å; D75-V80 HydrophobicContact CB-CG2 3.82Å; D75-V80 PolarHBondContact OD2-N 2.9Å; C78-V80 VanDerWaalsContact C-N 3.32Å; V80-H84 HydrophobicContact CG1-CB 4.04Å; V80-F130 HydrophobicContact CG1-CD1 4.2Å; V80-F130 HydrophobicContact CG1-CE1 4.05Å; V80-F130 HydrophobicContact CG2-CB 4.42Å; V80-F130 HydrophobicContact CG2-CD1 4.08Å; V80-F130 HydrophobicContact CG2-CG 4.13Å; V80-T133 HydrophobicContact CG2-CG2 4.29Å; V80-L135 HydrophobicContact CG2-CD1 4.36Å
81S90.1Very high86.3Confident27 Ų2753.9 Ų53.919%0.18930%0.295CS..  trans-83.4155.7-178.5-47.60000111.1G61 R62 A83 H84G61-S81 CarbonylContact C-O 3.6Å; G61-S81 VanDerWaalsContact CA-O 3.26Å; G61-S81 WeakPolarHBondContact CA-O 3.14Å; R62-S81 PolarHBondContact N-O 3.06Å; S81-A83 PolarHBondContact O-N 3.11Å; S81-H84 WeakPolarHBondContact CB-ND1 3.38Å; S81-H84 PolarHBondContact N-ND1 2.85Å; S81-H84 PolarHBondContact OG-ND1 2.98Å
82R90Very high86Confident102 Ų10257.5 Ų57.539%0.38531%0.314SS..SBendtrans-58.3-45.8-174.2-63.9171.4175.9142.2-1.8112.8G61 R62 L225G61-R82 CarbonylContact C-O 3.41Å; G61-R82 WeakPolarHBondContact CA-O 3.44Å; R62-R82 PolarHBondContact N-O 3.48Å; R62-R82 VanDerWaalsContact O-CA 3.29Å; R62-R82 WeakPolarHBondContact O-CA 3.32Å; R82-L225 PolarHBondContact NH2-O 3.19Å
83A90.2Very high85.8Confident42 Ų4256.8 Ų56.835%0.34731%0.307SS..SBendtrans-116.4108.4156.200000105.9V59 S81 N100V59-A83 HydrophobicContact CG1-CB 3.45Å; V59-A83 VanDerWaalsContact CG1-CB 3.45Å; S81-A83 PolarHBondContact O-N 3.11Å; A83-N100 WeakPolarHBondContact O-CB 3.4Å
84H91.8Very high86Confident2 Ų260.5 Ų60.51%0.00932%0.32CS..  trans-102.6-36.2-174.6-169.397.1000112.2I60 V80 S81 N100 G101 G104 F130I60-H84 PolarHBondContact O-N 2.92Å; V80-H84 HydrophobicContact CG1-CB 4.04Å; S81-H84 WeakPolarHBondContact CB-ND1 3.38Å; S81-H84 PolarHBondContact N-ND1 2.85Å; S81-H84 PolarHBondContact OG-ND1 2.98Å; H84-N100 CarbonylContact O-C 3.57Å; H84-N100 PolarHBondContact O-N 2.98Å; H84-G101 PolarHBondContact O-N 3.45Å; H84-G104 PolarHBondContact NE2-O 3.28Å; H84-G104 VanDerWaalsContact NE2-O 3.09Å; H84-F130 HydrophobicContact CB-CE1 4.1Å; H84-F130 AromaticContact CD2-CD1 3.47Å; H84-F130 VanDerWaalsContact CD2-CD1 3.47Å; H84-F130 WeakPolarHBondContact CD2-CD1 3.07Å; H84-F130 AromaticContact CD2-CE1 3.41Å; H84-F130 VanDerWaalsContact CD2-CE1 3.41Å; H84-F130 WeakPolarHBondContact CD2-CE1 3.36Å; H84-F130 AromaticContact CG-CD1 3.97Å; H84-F130 AromaticContact CG-CE1 3.82Å; H84-F130 AromaticContact NE2-CD1 3.63Å
85L93.7Very high86.6Confident0 Ų054.5 Ų54.50%028%0.284CS..EExtended strand (participates in β ladder)trans-141.4161.5167.568.188.1000109.5I60 L87 L97 L98 I105 L128 F130I60-L85 HydrophobicContact CB-CD1 3.88Å; I60-L85 HydrophobicContact CB-CG 4.02Å; I60-L85 HydrophobicContact CD1-CD1 3.95Å; I60-L85 HydrophobicContact CG1-CD1 3.85Å; I60-L85 PolarHBondContact N-O 2.9Å; I60-L85 PolarHBondContact O-N 3.09Å; I60-L85 VanDerWaalsContact O-N 3.17Å; L85-L87 HydrophobicContact CD1-CD2 3.81Å; L85-L87 HydrophobicContact CD1-CG 3.8Å; L85-L97 HydrophobicContact CB-CD2 4.39Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CD1 4.29Å; L85-L97 HydrophobicContact CD1-CG 4.49Å; L85-L97 HydrophobicContact CD2-CD1 4.29Å; L85-L98 CarbonylContact C-O 3.53Å; L85-L98 WeakPolarHBondContact CA-O 3.29Å; L85-I105 HydrophobicContact CD2-CD1 3.77Å; L85-I105 HydrophobicContact CD2-CG1 3.79Å; L85-L128 HydrophobicContact CD1-CD1 4.44Å; L85-L128 HydrophobicContact CD2-CD1 4.15Å; L85-F130 HydrophobicContact CD2-CE1 4.25Å; L85-F130 HydrophobicContact CD2-CZ 4.14Å
86E93.8Very high87.5Confident10 Ų1053.4 Ų53.45%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-133.9130.8176.3-174.6-177.6127.700108.8R57 V58 V59 Q88 L97 L98R57-E86 HydrophobicContact CG-CG 4.25Å; R57-E86 IonicContact CZ-OE1 2.7Å; R57-E86 IonicContact CZ-OE2 3.69Å; R57-E86 IonicContact NE-OE1 3.83Å; R57-E86 PolarHBondContact NE-OE1 3.45Å; R57-E86 IonicContact NE-OE2 3.17Å; R57-E86 VanDerWaalsContact NH2-CD 3.28Å; R57-E86 IonicContact NH2-OE1 2.81Å; R57-E86 PolarHBondContact NH2-OE1 2.91Å; R57-E86 VanDerWaalsContact NH2-OE1 3.16Å; R57-E86 IonicContact NH2-OE2 2.97Å; R57-E86 PolarHBondContact NH2-OE2 3.35Å; V58-E86 CarbonylContact O-C 3.6Å; V58-E86 WeakPolarHBondContact O-CA 3.44Å; V59-E86 HydrophobicContact CG2-CG 4.14Å; E86-Q88 HydrophobicContact CG-CG 4.48Å; E86-Q88 PolarHBondContact OE1-NE2 2.76Å; E86-L97 CarbonylContact O-C 3.2Å; E86-L97 WeakPolarHBondContact O-CA 3.36Å; E86-L98 HydrophobicContact CB-CB 4.38Å; E86-L98 PolarHBondContact N-O 3.41Å; E86-L98 PolarHBondContact O-N 3.18Å
87L93.7Very high88.7Confident1 Ų142 Ų421%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-101.9128.7176.4-58.1179.3000108.8R57 V58 I60 L85 W95 T96 L97 I122 L128 F139R57-L87 CarbonylContact C-O 3.58Å; R57-L87 WeakPolarHBondContact CA-O 3.12Å; V58-L87 PolarHBondContact N-O 2.98Å; V58-L87 PolarHBondContact O-N 3.31Å; I60-L87 HydrophobicContact CD1-CD1 4.02Å; L85-L87 HydrophobicContact CD1-CD2 3.81Å; L85-L87 HydrophobicContact CD1-CG 3.8Å; L87-W95 HydrophobicContact CB-CE3 3.98Å; L87-W95 HydrophobicContact CB-CZ3 4.05Å; L87-T96 CarbonylContact C-O 3.56Å; L87-T96 WeakPolarHBondContact CA-O 3.32Å; L87-L97 HydrophobicContact CD2-CB 3.99Å; L87-L97 HydrophobicContact CD2-CD1 3.93Å; L87-L97 HydrophobicContact CD2-CG 4.02Å; L87-I122 HydrophobicContact CD2-CD1 3.96Å; L87-L128 HydrophobicContact CD2-CD1 4.46Å; L87-F139 HydrophobicContact CD1-CD2 3.66Å; L87-F139 HydrophobicContact CD1-CE2 3.87Å
88Q92.8Very high89.6Confident68 Ų6842.3 Ų42.332%0.31823%0.227SC..EExtended strand (participates in β ladder)trans-126.8123.9177.4-67-174.23.200110.5S56 R57 E86 T96S56-Q88 WeakPolarHBondContact O-CA 3.27Å; R57-Q88 HydrophobicContact CG-CG 4.33Å; E86-Q88 HydrophobicContact CG-CG 4.48Å; E86-Q88 PolarHBondContact OE1-NE2 2.76Å; Q88-T96 PolarHBondContact N-O 3.2Å; Q88-T96 PolarHBondContact O-N 2.93Å; Q88-T96 PolarHBondContact O-OG1 3Å
89L92.4Very high90.2Very high39 Ų3940.4 Ų40.420%0.20422%0.215CC..EExtended strand (participates in β ladder)trans-78.5120169.2177.461.4000109.4L41 S56 W95 T143L41-L89 HydrophobicContact CD1-CD2 4.04Å; L41-L89 HydrophobicContact CD2-CD2 4.38Å; S56-L89 PolarHBondContact O-N 3.42Å; L89-W95 HydrophobicContact CB-CD2 4.1Å; L89-W95 HydrophobicContact CB-CE3 4.05Å; L89-W95 HydrophobicContact CB-CH2 4.01Å; L89-W95 HydrophobicContact CB-CZ2 4.05Å; L89-W95 HydrophobicContact CB-CZ3 4Å; L89-W95 HydrophobicContact CD1-CD2 4.33Å; L89-W95 HydrophobicContact CD1-CG 4.41Å; L89-W95 HydrophobicContact CD2-CZ2 4.44Å; L89-T143 HydrophobicContact CD1-CG2 4.08Å; L89-T143 HydrophobicContact CD2-CG2 3.84Å
90Q88.7Confident90.5Very high69 Ų6939 Ų3932%0.32221%0.207SC..  trans-80.7160174.9-64-165.7-21.600111.8N92 G93 R94 T96Q90-N92 PolarHBondContact O-N 2.72Å; Q90-N92 VanDerWaalsContact O-N 3.07Å; Q90-N92 PolarHBondContact OE1-ND2 3.07Å; Q90-G93 PolarHBondContact O-N 2.99Å; Q90-R94 PolarHBondContact N-O 3.45Å; Q90-T96 HydrophobicContact CG-CG2 4.07Å
91T83.8Confident90.5Very high155 Ų15538.9 Ų38.995%0.95121%0.207SC*.THydrogen-bonded Turntrans-58.6-18.8173.450.90000114.2G93T91-G93 VanDerWaalsContact C-N 3.26Å; T91-G93 PolarHBondContact O-N 2.83Å
92N83.7Confident90.3Very high78 Ų7845.5 Ų45.542%0.41723%0.233SC..THydrogen-bonded Turntrans-84.510.1173.664.640.1000114Q90 R94Q90-N92 PolarHBondContact O-N 2.72Å; Q90-N92 VanDerWaalsContact O-N 3.07Å; Q90-N92 PolarHBondContact OE1-ND2 3.07Å; N92-R94 VanDerWaalsContact C-N 3.25Å; N92-R94 PolarHBondContact ND2-NH2 3.41Å; N92-R94 PolarHBondContact O-N 3.5Å; N92-R94 VanDerWaalsContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CG 3.37Å; N92-R94 PolarHBondContact OD1-N 3.22Å; N92-R94 VanDerWaalsContact OD1-N 3.11Å; N92-R94 PolarHBondContact OD1-NE 2.85Å
93G83.7Confident90.1Very high21 Ų2143.6 Ų43.622%0.21623%0.23CC..SBendtrans74.75.2177.700000115.3Q90 T91 T143Q90-G93 PolarHBondContact O-N 2.99Å; T91-G93 VanDerWaalsContact C-N 3.26Å; T91-G93 PolarHBondContact O-N 2.83Å; G93-T143 PolarHBondContact O-OG1 2.8Å; G93-T143 VanDerWaalsContact O-OG1 3.11Å
94R89.4Confident90.1Very high96 Ų9641.6 Ų41.636%0.36221%0.213SC..  trans-101.8149.1176.1-56.4179.8-62.6158.23.3111.6Q90 N92Q90-R94 PolarHBondContact N-O 3.45Å; N92-R94 VanDerWaalsContact C-N 3.25Å; N92-R94 PolarHBondContact ND2-NH2 3.41Å; N92-R94 PolarHBondContact O-N 3.5Å; N92-R94 VanDerWaalsContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CG 3.37Å; N92-R94 PolarHBondContact OD1-N 3.22Å; N92-R94 VanDerWaalsContact OD1-N 3.11Å; N92-R94 PolarHBondContact OD1-NE 2.85Å
95W93.3Very high90.1Very high2 Ų241.5 Ų41.51%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-86.1144.4174.1-70.286.7000112L41 A42 V53 L87 L89 I122 F139 S141L41-W95 HydrophobicContact CB-CH2 4.4Å; L41-W95 HydrophobicContact CB-CZ2 3.8Å; A42-W95 HydrophobicContact CB-CH2 4.34Å; A42-W95 HydrophobicContact CB-CZ2 3.67Å; V53-W95 HydrophobicContact CG1-CH2 3.75Å; V53-W95 HydrophobicContact CG1-CZ2 4.38Å; L87-W95 HydrophobicContact CB-CE3 3.98Å; L87-W95 HydrophobicContact CB-CZ3 4.05Å; L89-W95 HydrophobicContact CB-CD2 4.1Å; L89-W95 HydrophobicContact CB-CE3 4.05Å; L89-W95 HydrophobicContact CB-CH2 4.01Å; L89-W95 HydrophobicContact CB-CZ2 4.05Å; L89-W95 HydrophobicContact CB-CZ3 4Å; L89-W95 HydrophobicContact CD1-CD2 4.33Å; L89-W95 HydrophobicContact CD1-CG 4.41Å; L89-W95 HydrophobicContact CD2-CZ2 4.44Å; W95-I122 HydrophobicContact CB-CD1 3.91Å; W95-I122 HydrophobicContact CB-CG1 3.7Å; W95-I122 PolarHBondContact O-N 3.25Å; W95-F139 HydrophobicContact CB-CE1 4.33Å; W95-F139 HydrophobicContact CB-CZ 4Å; W95-F139 AromaticContact CD1-CZ 3.61Å; W95-F139 HydrophobicContact CD2-CE2 4.17Å; W95-F139 AromaticContact CD2-CZ 3.72Å; W95-F139 HydrophobicContact CD2-CZ 3.72Å; W95-F139 AromaticContact CE2-CZ 3.93Å; W95-F139 HydrophobicContact CE3-CE2 4.47Å; W95-F139 HydrophobicContact CE3-CZ 4.42Å; W95-F139 HydrophobicContact CG-CE1 4.2Å; W95-F139 HydrophobicContact CG-CE2 4.37Å; W95-F139 AromaticContact CG-CZ 3.5Å; W95-F139 HydrophobicContact CG-CZ 3.5Å; W95-F139 VanDerWaalsContact CG-CZ 3.5Å; W95-F139 AromaticContact NE1-CZ 3.84Å; W95-S141 VanDerWaalsContact CD1-OG 3.3Å; W95-S141 PolarHBondContact NE1-OG 3.39Å
96T92.9Very high90.1Very high1 Ų144.2 Ų44.21%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-124144.5171.242.10000110.9L87 Q88 Q90 P119 C120 C121L87-T96 CarbonylContact C-O 3.56Å; L87-T96 WeakPolarHBondContact CA-O 3.32Å; Q88-T96 PolarHBondContact N-O 3.2Å; Q88-T96 PolarHBondContact O-N 2.93Å; Q88-T96 PolarHBondContact O-OG1 3Å; Q90-T96 HydrophobicContact CG-CG2 4.07Å; T96-P119 HydrophobicContact CG2-CB 4.38Å; T96-C120 CarbonylContact C-O 3.58Å; T96-C120 WeakPolarHBondContact CA-O 3.33Å; T96-C121 HydrophobicContact CG2-CB 4.46Å
97L93.5Very high90Very high1 Ų144.1 Ų44.11%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-111.6130177.2-177.1156.5000109.7L85 E86 L87 C99 I105 V107 P119 C120 I122 L128L85-L97 HydrophobicContact CB-CD2 4.39Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CD1 4.29Å; L85-L97 HydrophobicContact CD1-CG 4.49Å; L85-L97 HydrophobicContact CD2-CD1 4.29Å; E86-L97 CarbonylContact O-C 3.2Å; E86-L97 WeakPolarHBondContact O-CA 3.36Å; L87-L97 HydrophobicContact CD2-CB 3.99Å; L87-L97 HydrophobicContact CD2-CD1 3.93Å; L87-L97 HydrophobicContact CD2-CG 4.02Å; L97-C99 HydrophobicContact CD2-CB 4.17Å; L97-I105 HydrophobicContact CD1-CG2 4.24Å; L97-I105 HydrophobicContact CD2-CG2 3.75Å; L97-V107 HydrophobicContact CD1-CG2 4.11Å; L97-P119 CarbonylContact O-C 3.56Å; L97-P119 WeakPolarHBondContact O-CA 3.38Å; L97-C120 PolarHBondContact N-O 3.33Å; L97-C120 PolarHBondContact O-N 3.41Å; L97-C120 PolarHBondContact O-SG 3.2Å; L97-I122 HydrophobicContact CB-CG2 3.67Å; L97-I122 HydrophobicContact CD1-CG2 4.36Å; L97-L128 HydrophobicContact CD1-CD1 4.29Å; L97-L128 HydrophobicContact CD1-CD2 3.73Å
98L92.4Very high89.8Confident44 Ų4447.6 Ų47.623%0.2324%0.243CC..EExtended strand (participates in β ladder)trans-107.8120.5168.7177.564000109.2L85 E86 N100 P119L85-L98 CarbonylContact C-O 3.53Å; L85-L98 WeakPolarHBondContact CA-O 3.29Å; E86-L98 HydrophobicContact CB-CB 4.38Å; E86-L98 PolarHBondContact N-O 3.41Å; E86-L98 PolarHBondContact O-N 3.18Å; L98-N100 PolarHBondContact O-N 2.9Å; L98-P119 HydrophobicContact CD1-CG 4.47Å
99C92.4Very high89.4Confident9 Ų949.6 Ų49.66%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-88.398.5-178.6-170.10000111.3L97 I105 R114L97-C99 HydrophobicContact CD2-CB 4.17Å; C99-I105 HydrophobicContact CB-CG2 4.3Å; C99-R114 VanDerWaalsContact O-CA 3.32Å; C99-R114 WeakPolarHBondContact O-CA 3.39Å
100N89.9Confident89.1Confident50 Ų5051.7 Ų51.727%0.26728%0.28SS..  trans-83.1-15.7177.4-72.7-39.8000113.1A83 H84 L98 R114A83-N100 WeakPolarHBondContact O-CB 3.4Å; H84-N100 CarbonylContact O-C 3.57Å; H84-N100 PolarHBondContact O-N 2.98Å; L98-N100 PolarHBondContact O-N 2.9Å; N100-R114 VanDerWaalsContact O-CZ 3.24Å; N100-R114 PolarHBondContact O-NE 2.89Å; N100-R114 PolarHBondContact O-NH2 2.96Å
101G88Confident89.1Confident0 Ų051.6 Ų51.60%028%0.281CS..  trans-76.5138.1-178.100000114.2H84 N103 G104H84-G101 PolarHBondContact O-N 3.45Å; G101-N103 VanDerWaalsContact C-N 3.28Å; G101-N103 PolarHBondContact O-N 3.25Å; G101-G104 PolarHBondContact O-N 3Å
102K86.7Confident89.3Confident166 Ų16646.5 Ų46.572%0.72225%0.246SC*.THydrogen-bonded Turntrans-61.1-36.5177.9-174.8-167.6171.2-163.80112.2G104K102-G104 PolarHBondContact O-N 3.22Å
103N86.2Confident89.4Confident61 Ų6150.1 Ų50.133%0.32625%0.254SS..THydrogen-bonded Turntrans-78.9-10.3-172.6-57.77000112.6G101 S132G101-N103 VanDerWaalsContact C-N 3.28Å; G101-N103 PolarHBondContact O-N 3.25Å; N103-S132 PolarHBondContact ND2-OG 3.11Å
104G89.6Confident89.2Confident0 Ų055.4 Ų55.40%027%0.267CS..  trans78.3175.9-167.600000113.1H84 G101 K102 H112 P131H84-G104 PolarHBondContact NE2-O 3.28Å; H84-G104 VanDerWaalsContact NE2-O 3.09Å; G101-G104 PolarHBondContact O-N 3Å; K102-G104 PolarHBondContact O-N 3.22Å; G104-H112 CarbonylContact C-O 3.54Å; G104-H112 WeakPolarHBondContact CA-O 3.41Å; G104-P131 WeakPolarHBondContact O-CD 3.16Å; G104-P131 VanDerWaalsContact O-CG 3.29Å; G104-P131 WeakPolarHBondContact O-CG 3.43Å
105I92.6Very high88.1Confident0 Ų057.8 Ų57.80%029%0.287CS..EExtended strand (participates in β ladder)trans-129142.3172.5-169.673.4000109L85 L97 C99 V107 H112 R129 F130L85-I105 HydrophobicContact CD2-CD1 3.77Å; L85-I105 HydrophobicContact CD2-CG1 3.79Å; L97-I105 HydrophobicContact CD1-CG2 4.24Å; L97-I105 HydrophobicContact CD2-CG2 3.75Å; C99-I105 HydrophobicContact CB-CG2 4.3Å; I105-V107 HydrophobicContact CG2-CG2 4.43Å; I105-H112 HydrophobicContact CG2-CB 4.13Å; I105-H112 PolarHBondContact N-O 2.98Å; I105-H112 PolarHBondContact O-N 3.39Å; I105-R129 WeakPolarHBondContact CD1-O 3.49Å; I105-F130 HydrophobicContact CD1-CB 4.47Å; I105-F130 HydrophobicContact CD1-CD1 3.59Å; I105-F130 HydrophobicContact CD1-CD2 4.26Å; I105-F130 HydrophobicContact CD1-CE1 3.69Å; I105-F130 HydrophobicContact CD1-CE2 4.32Å; I105-F130 HydrophobicContact CD1-CG 3.88Å; I105-F130 HydrophobicContact CD1-CZ 4.03Å
106F92.3Very high86.6Confident57 Ų5760.2 Ų60.225%0.2531%0.308CS..EExtended strand (participates in β ladder)trans-86.4131.9166.4-71.2-77.8000110.1S109 T110 I111 L128 R129 P131F106-S109 WeakPolarHBondContact CD1-O 3.46Å; F106-T110 CarbonylContact C-O 3.48Å; F106-T110 VanDerWaalsContact CA-O 3.31Å; F106-T110 WeakPolarHBondContact CA-O 3.34Å; F106-I111 HydrophobicContact CD1-CB 3.84Å; F106-I111 HydrophobicContact CD1-CG1 4.44Å; F106-I111 HydrophobicContact CE1-CB 3.71Å; F106-I111 HydrophobicContact CE1-CD1 4.37Å; F106-I111 HydrophobicContact CE1-CG1 4.3Å; F106-I111 HydrophobicContact CZ-CB 4.42Å; F106-I111 HydrophobicContact CZ-CD1 4.23Å; F106-L128 CarbonylContact O-C 3.5Å; F106-L128 WeakPolarHBondContact O-CA 3.41Å; F106-R129 HydrophobicContact CB-CB 4.24Å; F106-R129 WeakPolarHBondContact CB-O 3.47Å; F106-R129 PolarHBondContact N-O 3.2Å; F106-R129 PolarHBondContact O-N 3.47Å; F106-P131 HydrophobicContact CD2-CB 4.06Å; F106-P131 HydrophobicContact CD2-CG 3.73Å; F106-P131 HydrophobicContact CE2-CB 3.65Å; F106-P131 HydrophobicContact CE2-CG 3.76Å
107V93.1Very high85.1Confident8 Ų865.4 Ų65.45%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-117112.5167.8-175.40000106.4L97 I105 S109 T110 I122 C126 L128L97-V107 HydrophobicContact CD1-CG2 4.11Å; I105-V107 HydrophobicContact CG2-CG2 4.43Å; V107-S109 PolarHBondContact O-N 2.91Å; V107-S109 VanDerWaalsContact O-N 3.09Å; V107-T110 PolarHBondContact N-O 3.45Å; V107-T110 WeakPolarHBondContact O-CA 3.27Å; V107-T110 WeakPolarHBondContact O-CB 3.43Å; V107-T110 PolarHBondContact O-N 3.18Å; V107-I122 HydrophobicContact CG1-CG2 4.18Å; V107-I122 HydrophobicContact CG2-CG2 4.5Å; V107-C126 HydrophobicContact CG1-CB 4.12Å; V107-L128 HydrophobicContact CB-CD2 4.39Å; V107-L128 HydrophobicContact CG1-CD2 4.2Å; V107-L128 HydrophobicContact CG2-CD2 3.78Å
108D88.6Confident84.3Confident74 Ų7470.5 Ų70.540%0.39638%0.375SS..THydrogen-bonded Turntrans49.439.4-179.3-53.6-42.9000114C126 T127D108-C126 WeakPolarHBondContact OD1-CA 3.2Å; D108-C126 WeakPolarHBondContact OD2-CB 3.4Å; D108-T127 PolarHBondContact N-O 3.31Å; D108-T127 PolarHBondContact OD1-N 3.24Å
109S84.2Confident83.9Confident110 Ų11070.6 Ų70.677%0.76938%0.378SS*.THydrogen-bonded Turntrans78.9-7.1-173.6-39.30000117F106 V107F106-S109 WeakPolarHBondContact CD1-O 3.46Å; V107-S109 PolarHBondContact O-N 2.91Å; V107-S109 VanDerWaalsContact O-N 3.09Å
110T86.9Confident83.6Confident84 Ų8471.4 Ų71.452%0.51538%0.383SS..EExtended strand (participates in β ladder)trans-83.5126.3172.8-58.60000110.7F106 V107 H112F106-T110 CarbonylContact C-O 3.48Å; F106-T110 VanDerWaalsContact CA-O 3.31Å; F106-T110 WeakPolarHBondContact CA-O 3.34Å; V107-T110 PolarHBondContact N-O 3.45Å; V107-T110 WeakPolarHBondContact O-CA 3.27Å; V107-T110 WeakPolarHBondContact O-CB 3.43Å; V107-T110 PolarHBondContact O-N 3.18Å; T110-H112 PolarHBondContact O-CD2 3.24Å
111I88.4Confident83.6Confident67 Ų6772.2 Ų72.234%0.34439%0.393SS..EExtended strand (participates in β ladder)trans-87.6117.4179.7-168.8171.4000112.5F106 R113 P131F106-I111 HydrophobicContact CD1-CB 3.84Å; F106-I111 HydrophobicContact CD1-CG1 4.44Å; F106-I111 HydrophobicContact CE1-CB 3.71Å; F106-I111 HydrophobicContact CE1-CD1 4.37Å; F106-I111 HydrophobicContact CE1-CG1 4.3Å; F106-I111 HydrophobicContact CZ-CB 4.42Å; F106-I111 HydrophobicContact CZ-CD1 4.23Å; I111-R113 HydrophobicContact CG1-CG 4.34Å; I111-P131 HydrophobicContact CD1-CG 4.47Å
112H86.7Confident83.7Confident47 Ų4772.8 Ų72.822%0.21840%0.395CS..EExtended strand (participates in β ladder)trans-98.6126.6171.1-64.8-91.5000109.5G104 I105 T110 C120G104-H112 CarbonylContact C-O 3.54Å; G104-H112 WeakPolarHBondContact CA-O 3.41Å; I105-H112 HydrophobicContact CG2-CB 4.13Å; I105-H112 PolarHBondContact N-O 2.98Å; I105-H112 PolarHBondContact O-N 3.39Å; T110-H112 PolarHBondContact O-CD2 3.24Å; H112-C120 PolarHBondContact ND1-SG 2.92Å; H112-C120 VanDerWaalsContact ND1-SG 3.37Å
113R85.7Confident83.9Confident155 Ų15567.8 Ų67.859%0.58538%0.38SS*.  trans-111.4154.5-179-65.4-179.3-179.4158.21.5111I111 D115 A116I111-R113 HydrophobicContact CG1-CG 4.34Å; R113-D115 PolarHBondContact O-N 2.96Å; R113-D115 VanDerWaalsContact O-N 3.08Å; R113-A116 WeakPolarHBondContact O-CB 3.43Å; R113-A116 PolarHBondContact O-N 3.48Å; R113-A116 VanDerWaalsContact O-N 3.11Å
114R79.9Confident84.1Confident131 Ų13167.6 Ų67.649%0.49438%0.379SS..THydrogen-bonded Turntrans-51.3-32.5-179.5-177.2-169.7-76.4-179.4-8.6114.6C99 N100 A116C99-R114 VanDerWaalsContact O-CA 3.32Å; C99-R114 WeakPolarHBondContact O-CA 3.39Å; N100-R114 VanDerWaalsContact O-CZ 3.24Å; N100-R114 PolarHBondContact O-NE 2.89Å; N100-R114 PolarHBondContact O-NH2 2.96Å; R114-A116 PolarHBondContact O-N 3.4Å; R114-A116 VanDerWaalsContact O-N 3.11Å
115D66.7Low84.3Confident147 Ų14771.9 Ų71.979%0.78640%0.399SS*.THydrogen-bonded Turntrans-69.1-9.1-175.4-47.3-51.7000113R113 S117R113-D115 PolarHBondContact O-N 2.96Å; R113-D115 VanDerWaalsContact O-N 3.08Å; D115-S117 PolarHBondContact O-N 2.85Å; D115-S117 VanDerWaalsContact O-N 3.16Å
116A61Low84.3Confident53 Ų5372 Ų7244%0.43840%0.399SS..  trans-74.193.516200000110.4R113 R114 V118R113-A116 WeakPolarHBondContact O-CB 3.43Å; R113-A116 PolarHBondContact O-N 3.48Å; R113-A116 VanDerWaalsContact O-N 3.11Å; R114-A116 PolarHBondContact O-N 3.4Å; R114-A116 VanDerWaalsContact O-N 3.11Å; A116-V118 PolarHBondContact O-N 2.83Å; A116-V118 VanDerWaalsContact O-N 3.11Å
117S62.5Low84.4Confident110 Ų11071.8 Ų71.877%0.76940%0.403SS*.  trans-65.7-4.2172.255.70000114.5D115D115-S117 PolarHBondContact O-N 2.85Å; D115-S117 VanDerWaalsContact O-N 3.16Å
118V77Confident84.5Confident107 Ų10771.4 Ų71.465%0.64840%0.401SS*.SBendtrans-107.3121.5179.3-177.80000108.7A116 C120A116-V118 PolarHBondContact O-N 2.83Å; A116-V118 VanDerWaalsContact O-N 3.11Å; V118-C120 PolarHBondContact O-N 2.84Å
119P83.3Confident84.7Confident47 Ų4772.6 Ų72.631%0.30540%0.399SS..PPolyproline II helixtrans-57.7130.3173.1-23.733.6000111.4T96 L97 L98T96-P119 HydrophobicContact CG2-CB 4.38Å; L97-P119 CarbonylContact O-C 3.56Å; L97-P119 WeakPolarHBondContact O-CA 3.38Å; L98-P119 HydrophobicContact CD1-CG 4.47Å
120C86.3Confident85Confident25 Ų2567.5 Ų67.517%0.16936%0.363CS..EExtended strand (participates in β ladder)trans-80.2138.5176.355.60000110.4T96 L97 H112 V118 I122T96-C120 CarbonylContact C-O 3.58Å; T96-C120 WeakPolarHBondContact CA-O 3.33Å; L97-C120 PolarHBondContact N-O 3.33Å; L97-C120 PolarHBondContact O-N 3.41Å; L97-C120 PolarHBondContact O-SG 3.2Å; H112-C120 PolarHBondContact ND1-SG 2.92Å; H112-C120 VanDerWaalsContact ND1-SG 3.37Å; V118-C120 PolarHBondContact O-N 2.84Å; C120-I122 PolarHBondContact O-N 3.37Å
121C89.4Confident85.1Confident68 Ų6865.2 Ų65.246%0.45935%0.35SS..EExtended strand (participates in β ladder)trans-69.9128.7167.1-64.50000108.6T96T96-C121 HydrophobicContact CG2-CB 4.46Å
122I91.2Very high84.9Confident12 Ų1264.7 Ų64.76%0.06235%0.353CS..PPolyproline II helixtrans-100.1156174.459.8173000110.4L87 W95 L97 V107 C120 F139L87-I122 HydrophobicContact CD2-CD1 3.96Å; W95-I122 HydrophobicContact CB-CD1 3.91Å; W95-I122 HydrophobicContact CB-CG1 3.7Å; W95-I122 PolarHBondContact O-N 3.25Å; L97-I122 HydrophobicContact CB-CG2 3.67Å; L97-I122 HydrophobicContact CD1-CG2 4.36Å; V107-I122 HydrophobicContact CG1-CG2 4.18Å; V107-I122 HydrophobicContact CG2-CG2 4.5Å; C120-I122 PolarHBondContact O-N 3.37Å; I122-F139 HydrophobicContact CD1-CD1 3.77Å; I122-F139 HydrophobicContact CD1-CE1 3.74Å; I122-F139 HydrophobicContact CD1-CG 4.21Å; I122-F139 HydrophobicContact CD1-CZ 4.15Å; I122-F139 HydrophobicContact CG1-CE1 4.44Å
123P90.7Very high84.9Confident61 Ų6163.4 Ų63.440%0.39635%0.348SS..PPolyproline II helixtrans-60.4164.2172.1-2334.4000113E125 C126P123-E125 PolarHBondContact O-N 3.15Å; P123-C126 HydrophobicContact CB-CB 4.33Å; P123-C126 HydrophobicContact CG-CB 4.17Å
124D90.2Very high84.9Confident57 Ų5764.4 Ų64.431%0.30536%0.359SS..SBendtrans-69-13.4174.1-67.7-56.8000112.3S141 R145D124-S141 WeakPolarHBondContact O-CB 3.44Å; D124-S141 PolarHBondContact O-N 3.33Å; D124-R145 IonicContact OD2-CZ 3.56Å; D124-R145 IonicContact OD2-NE 3.52Å; D124-R145 PolarHBondContact OD2-NE 3.14Å; D124-R145 IonicContact OD2-NH2 2.77Å; D124-R145 PolarHBondContact OD2-NH2 3.31Å
125E93.1Very high85.3Confident90 Ų9060.9 Ų60.942%0.42135%0.35SS..EExtended strand (participates in β ladder)trans-148.3123168.3-174.8157.9-147.700109.5P123 H138 F139 R140P123-E125 PolarHBondContact O-N 3.15Å; E125-H138 VanDerWaalsContact CG-CE1 3.49Å; E125-H138 WeakPolarHBondContact CG-CE1 3.44Å; E125-H138 WeakPolarHBondContact CG-NE2 3.39Å; E125-H138 IonicContact OE1-CD2 3.02Å; E125-H138 IonicContact OE1-CE1 2.71Å; E125-H138 IonicContact OE1-NE2 3.52Å; E125-H138 PolarHBondContact OE1-NE2 2.79Å; E125-F139 CarbonylContact C-O 3.59Å; E125-F139 WeakPolarHBondContact CA-O 3.17Å; E125-R140 HydrophobicContact CG-CB 4.39Å; E125-R140 HydrophobicContact CG-CG 4.43Å; E125-R140 WeakPolarHBondContact OE1-CD 3.45Å; E125-R140 IonicContact OE1-NH1 2.87Å; E125-R140 PolarHBondContact OE1-NH1 2.96Å; E125-R140 IonicContact OE2-NH1 3.35Å; E125-R140 PolarHBondContact OE2-NH1 3.22Å
126C94Very high86.4Confident1 Ų160.8 Ų60.81%0.00734%0.339CS..EExtended strand (participates in β ladder)trans-155.2148.7-174.664.30000114.2V107 D108 P123 F139V107-C126 HydrophobicContact CG1-CB 4.12Å; D108-C126 WeakPolarHBondContact OD1-CA 3.2Å; D108-C126 WeakPolarHBondContact OD2-CB 3.4Å; P123-C126 HydrophobicContact CB-CB 4.33Å; P123-C126 HydrophobicContact CG-CB 4.17Å; C126-F139 PolarHBondContact N-O 3.37Å; C126-F139 PolarHBondContact O-N 3.15Å
127T94Very high88Confident53 Ų5358.7 Ų58.733%0.32532%0.32SS..EExtended strand (participates in β ladder)trans-90.9119.1173-62.70000111.4D108 R136D108-T127 PolarHBondContact N-O 3.31Å; D108-T127 PolarHBondContact OD1-N 3.24Å; T127-R136 HydrophobicContact CG2-CB 4.39Å
128L94.1Very high89.5Confident0 Ų056.5 Ų56.50%030%0.298CS..EExtended strand (participates in β ladder)trans-94.4124.2171.4-50.6179.1000109.7L85 L87 L97 F106 V107 R136 L137 F139L85-L128 HydrophobicContact CD1-CD1 4.44Å; L85-L128 HydrophobicContact CD2-CD1 4.15Å; L87-L128 HydrophobicContact CD2-CD1 4.46Å; L97-L128 HydrophobicContact CD1-CD1 4.29Å; L97-L128 HydrophobicContact CD1-CD2 3.73Å; F106-L128 CarbonylContact O-C 3.5Å; F106-L128 WeakPolarHBondContact O-CA 3.41Å; V107-L128 HydrophobicContact CB-CD2 4.39Å; V107-L128 HydrophobicContact CG1-CD2 4.2Å; V107-L128 HydrophobicContact CG2-CD2 3.78Å; L128-R136 CarbonylContact O-C 3.47Å; L128-R136 WeakPolarHBondContact O-CA 3.1Å; L128-L137 HydrophobicContact CB-CB 4.33Å; L128-L137 PolarHBondContact N-O 3.07Å; L128-L137 PolarHBondContact O-N 3.38Å; L128-F139 HydrophobicContact CD1-CB 4.3Å; L128-F139 HydrophobicContact CG-CB 4.42Å
129R92.6Very high90.4Very high99 Ų9951.5 Ų51.537%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-130.4131.3177.8178.7-177.6170.6-144.5-5.1112.2I105 F106 R136I105-R129 WeakPolarHBondContact CD1-O 3.49Å; F106-R129 HydrophobicContact CB-CB 4.24Å; F106-R129 WeakPolarHBondContact CB-O 3.47Å; F106-R129 PolarHBondContact N-O 3.2Å; F106-R129 PolarHBondContact O-N 3.47Å; R129-R136 HydrophobicContact CB-CG 4.5Å; R129-R136 HydrophobicContact CG-CG 4.34Å
130F91.5Very high90.8Very high3 Ų354.7 Ų54.71%0.01327%0.273CS..  trans-77.7123.2177.7-59.6-89.6000110.1I60 I73 V80 H84 L85 I105 S132 T133 L135 L137I60-F130 HydrophobicContact CG2-CZ 4.43Å; I73-F130 HydrophobicContact CD1-CD2 4.4Å; I73-F130 HydrophobicContact CD1-CE1 4.03Å; I73-F130 HydrophobicContact CD1-CE2 3.44Å; I73-F130 VanDerWaalsContact CD1-CE2 3.44Å; I73-F130 HydrophobicContact CD1-CZ 3.22Å; V80-F130 HydrophobicContact CG1-CD1 4.2Å; V80-F130 HydrophobicContact CG1-CE1 4.05Å; V80-F130 HydrophobicContact CG2-CB 4.42Å; V80-F130 HydrophobicContact CG2-CD1 4.08Å; V80-F130 HydrophobicContact CG2-CG 4.13Å; H84-F130 HydrophobicContact CB-CE1 4.1Å; H84-F130 AromaticContact CD2-CD1 3.47Å; H84-F130 VanDerWaalsContact CD2-CD1 3.47Å; H84-F130 WeakPolarHBondContact CD2-CD1 3.07Å; H84-F130 AromaticContact CD2-CE1 3.41Å; H84-F130 VanDerWaalsContact CD2-CE1 3.41Å; H84-F130 WeakPolarHBondContact CD2-CE1 3.36Å; H84-F130 AromaticContact CG-CD1 3.97Å; H84-F130 AromaticContact CG-CE1 3.82Å; H84-F130 AromaticContact NE2-CD1 3.63Å; L85-F130 HydrophobicContact CD2-CE1 4.25Å; L85-F130 HydrophobicContact CD2-CZ 4.14Å; I105-F130 HydrophobicContact CD1-CB 4.47Å; I105-F130 HydrophobicContact CD1-CD1 3.59Å; I105-F130 HydrophobicContact CD1-CD2 4.26Å; I105-F130 HydrophobicContact CD1-CE1 3.69Å; I105-F130 HydrophobicContact CD1-CE2 4.32Å; I105-F130 HydrophobicContact CD1-CG 3.88Å; I105-F130 HydrophobicContact CD1-CZ 4.03Å; F130-S132 PolarHBondContact O-N 3Å; F130-T133 WeakPolarHBondContact CB-OG1 3.41Å; F130-T133 PolarHBondContact O-N 3.23Å; F130-T133 VanDerWaalsContact O-N 3.17Å; F130-T133 VanDerWaalsContact O-O 3.1Å; F130-L135 HydrophobicContact CD2-CB 4.24Å; F130-L137 HydrophobicContact CE2-CD1 3.96Å; F130-L137 HydrophobicContact CE2-CG 4.24Å; F130-L137 HydrophobicContact CZ-CD1 4.16Å
131P89.4Confident91.1Very high37 Ų3754.1 Ų54.124%0.2427%0.27CS..THydrogen-bonded Turntrans-59.9-24-169-29.536.5000116.2G104 F106 I111G104-P131 WeakPolarHBondContact O-CD 3.16Å; G104-P131 VanDerWaalsContact O-CG 3.29Å; G104-P131 WeakPolarHBondContact O-CG 3.43Å; F106-P131 HydrophobicContact CD2-CB 4.06Å; F106-P131 HydrophobicContact CD2-CG 3.73Å; F106-P131 HydrophobicContact CE2-CB 3.65Å; F106-P131 HydrophobicContact CE2-CG 3.76Å; I111-P131 HydrophobicContact CD1-CG 4.47Å
132S84.4Confident91.1Very high56 Ų5654 Ų5439%0.39226%0.264SS..THydrogen-bonded Turntrans-104.55.6-175-49.70000113.6L79 N103 F130L79-S132 WeakPolarHBondContact CD1-O 3.46Å; N103-S132 PolarHBondContact ND2-OG 3.11Å; F130-S132 PolarHBondContact O-N 3Å
133T86.5Confident90.5Very high20 Ų2054.8 Ų54.812%0.12327%0.269CS..SBendtrans-136.9169.4179.965.10000111.4L79 V80 F130 L135L79-T133 HydrophobicContact CB-CG2 4.09Å; L79-T133 HydrophobicContact CD1-CG2 4.17Å; V80-T133 HydrophobicContact CG2-CG2 4.29Å; F130-T133 WeakPolarHBondContact CB-OG1 3.41Å; F130-T133 PolarHBondContact O-N 3.23Å; F130-T133 VanDerWaalsContact O-N 3.17Å; F130-T133 VanDerWaalsContact O-O 3.1Å; T133-L135 HydrophobicContact CG2-CD1 4.43Å
134E86.2Confident89.1Confident175 Ų17559.5 Ų59.582%0.81829%0.286SS*.SBendtrans-79.7-23.8173.5-59.9-173.7149.300112.3R136E134-R136 WeakPolarHBondContact O-CG 3.28Å; E134-R136 PolarHBondContact O-N 2.63Å
135L87.6Confident87.5Confident58 Ų5866.1 Ų66.130%0.30431%0.306SS..  trans-48.5127.9-178.3-59.1169.6000113.6I73 D75 V80 F130 T133I73-L135 HydrophobicContact CG2-CD1 3.58Å; D75-L135 HydrophobicContact CB-CD1 4.39Å; V80-L135 HydrophobicContact CG2-CD1 4.36Å; F130-L135 HydrophobicContact CD2-CB 4.24Å; T133-L135 HydrophobicContact CG2-CD1 4.43Å
136R90.5Very high85.1Confident145 Ų14564.4 Ų64.455%0.54731%0.313SS..EExtended strand (participates in β ladder)trans-123.2150.1174-51.5-177.6-168.4-167.14.1109.3T127 L128 R129 E134T127-R136 HydrophobicContact CG2-CB 4.39Å; L128-R136 CarbonylContact O-C 3.47Å; L128-R136 WeakPolarHBondContact O-CA 3.1Å; R129-R136 HydrophobicContact CB-CG 4.5Å; R129-R136 HydrophobicContact CG-CG 4.34Å; E134-R136 WeakPolarHBondContact O-CG 3.28Å; E134-R136 PolarHBondContact O-N 2.63Å
137L93.5Very high82.7Confident8 Ų874 Ų744%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-127.4127.9168.5-57.7173.8000108V44 D45 I60 I73 L128 F130V44-L137 HydrophobicContact CG1-CB 4.02Å; V44-L137 HydrophobicContact CG1-CD1 4.26Å; V44-L137 HydrophobicContact CG1-CD2 4.36Å; V44-L137 HydrophobicContact CG1-CG 4.45Å; D45-L137 CarbonylContact O-C 3.56Å; D45-L137 VanDerWaalsContact O-CA 3.27Å; D45-L137 WeakPolarHBondContact O-CA 3.47Å; I60-L137 HydrophobicContact CD1-CD1 4.17Å; I60-L137 HydrophobicContact CG2-CD1 3.83Å; I73-L137 HydrophobicContact CD1-CD1 4.25Å; L128-L137 HydrophobicContact CB-CB 4.33Å; L128-L137 PolarHBondContact N-O 3.07Å; L128-L137 PolarHBondContact O-N 3.38Å; F130-L137 HydrophobicContact CE2-CD1 3.96Å; F130-L137 HydrophobicContact CE2-CG 4.24Å; F130-L137 HydrophobicContact CZ-CD1 4.16Å
138H94.3Very high80.2Confident65 Ų6580.3 Ų80.330%0.30137%0.374SS..EExtended strand (participates in β ladder)trans-92.4110.2171.7-168.760.4000108.6V44 D45 E125V44-H138 WeakPolarHBondContact CA-O 3.23Å; D45-H138 HydrophobicContact CB-CB 4.36Å; D45-H138 PolarHBondContact N-O 3.43Å; D45-H138 PolarHBondContact O-N 3.15Å; E125-H138 VanDerWaalsContact CG-CE1 3.49Å; E125-H138 WeakPolarHBondContact CG-CE1 3.44Å; E125-H138 WeakPolarHBondContact CG-NE2 3.39Å; E125-H138 IonicContact OE1-CD2 3.02Å; E125-H138 IonicContact OE1-CE1 2.71Å; E125-H138 IonicContact OE1-NE2 3.52Å; E125-H138 PolarHBondContact OE1-NE2 2.79Å
139F94.8Very high77.5Confident1 Ų189.5 Ų89.50%0.00442%0.417CS..EExtended strand (participates in β ladder)trans-92.2133.8177.1170.2-87.2000109.6A42 V44 L87 W95 I122 E125 C126 L128A42-F139 HydrophobicContact CB-CD2 4.47Å; A42-F139 HydrophobicContact CB-CE2 3.56Å; A42-F139 HydrophobicContact CB-CZ 3.85Å; V44-F139 HydrophobicContact CG2-CD2 3.99Å; L87-F139 HydrophobicContact CD1-CD2 3.66Å; L87-F139 HydrophobicContact CD1-CE2 3.87Å; W95-F139 HydrophobicContact CB-CE1 4.33Å; W95-F139 HydrophobicContact CB-CZ 4Å; W95-F139 AromaticContact CD1-CZ 3.61Å; W95-F139 HydrophobicContact CD2-CE2 4.17Å; W95-F139 AromaticContact CD2-CZ 3.72Å; W95-F139 HydrophobicContact CD2-CZ 3.72Å; W95-F139 AromaticContact CE2-CZ 3.93Å; W95-F139 HydrophobicContact CE3-CE2 4.47Å; W95-F139 HydrophobicContact CE3-CZ 4.42Å; W95-F139 HydrophobicContact CG-CE1 4.2Å; W95-F139 HydrophobicContact CG-CE2 4.37Å; W95-F139 AromaticContact CG-CZ 3.5Å; W95-F139 HydrophobicContact CG-CZ 3.5Å; W95-F139 VanDerWaalsContact CG-CZ 3.5Å; W95-F139 AromaticContact NE1-CZ 3.84Å; I122-F139 HydrophobicContact CD1-CD1 3.77Å; I122-F139 HydrophobicContact CD1-CE1 3.74Å; I122-F139 HydrophobicContact CD1-CG 4.21Å; I122-F139 HydrophobicContact CD1-CZ 4.15Å; I122-F139 HydrophobicContact CG1-CE1 4.44Å; E125-F139 CarbonylContact C-O 3.59Å; E125-F139 WeakPolarHBondContact CA-O 3.17Å; C126-F139 PolarHBondContact N-O 3.37Å; C126-F139 PolarHBondContact O-N 3.15Å; L128-F139 HydrophobicContact CD1-CB 4.3Å; L128-F139 HydrophobicContact CG-CB 4.42Å
140R93.4Very high74.6Confident114 Ų11488.1 Ų88.143%0.4343%0.433SS..EExtended strand (participates in β ladder)trans-137121.2173-179.7174.6175.8142.7-8.9110.8A42 R43 E125A42-R140 CarbonylContact C-O 3.48Å; A42-R140 VanDerWaalsContact CA-O 3.25Å; A42-R140 WeakPolarHBondContact CA-O 3.4Å; A42-R140 WeakPolarHBondContact CB-O 3.47Å; R43-R140 PolarHBondContact N-O 3.05Å; R43-R140 PolarHBondContact O-N 2.92Å; E125-R140 HydrophobicContact CG-CB 4.39Å; E125-R140 HydrophobicContact CG-CG 4.43Å; E125-R140 WeakPolarHBondContact OE1-CD 3.45Å; E125-R140 IonicContact OE1-NH1 2.87Å; E125-R140 PolarHBondContact OE1-NH1 2.96Å; E125-R140 IonicContact OE2-NH1 3.35Å; E125-R140 PolarHBondContact OE2-NH1 3.22Å
141S92.3Very high71.8Confident14 Ų1498.4 Ų98.410%0.09847%0.472CS..EExtended strand (participates in β ladder)trans-66.5141.9170.9-169.90000110.9W95 D124 T143W95-S141 VanDerWaalsContact CD1-OG 3.3Å; W95-S141 PolarHBondContact NE1-OG 3.39Å; D124-S141 WeakPolarHBondContact O-CB 3.44Å; D124-S141 PolarHBondContact O-N 3.33Å; S141-T143 PolarHBondContact OG-N 3Å; S141-T143 PolarHBondContact OG-OG1 2.93Å
142L88.1Confident69Low65 Ų65104.2 Ų104.234%0.3450%0.501SS..  trans-115.7-0.3172.9-59.5173.9000111.7P40 L41 R43 H144P40-L142 HydrophobicContact CB-CD1 3.94Å; P40-L142 HydrophobicContact CG-CD1 4.5Å; L41-L142 PolarHBondContact O-N 3.07Å; R43-L142 HydrophobicContact CB-CD1 4.46Å; L142-H144 PolarHBondContact O-N 3.29Å
143T80.1Confident66.6Low29 Ų29108.9 Ų108.918%0.17852%0.52CS..  trans-74.294.5176.9520000110.8L41 L89 G93 S141 R145L41-T143 HydrophobicContact CB-CG2 4.23Å; L41-T143 HydrophobicContact CD2-CG2 4.12Å; L41-T143 PolarHBondContact O-N 3.23Å; L89-T143 HydrophobicContact CD1-CG2 4.08Å; L89-T143 HydrophobicContact CD2-CG2 3.84Å; G93-T143 PolarHBondContact O-OG1 2.8Å; G93-T143 VanDerWaalsContact O-OG1 3.11Å; S141-T143 PolarHBondContact OG-N 3Å; S141-T143 PolarHBondContact OG-OG1 2.93Å; T143-R145 PolarHBondContact O-N 2.76Å
144H61.4Low63.9Low160 Ų160111.5 Ų111.574%0.74154%0.544SS*.  trans-53.6126.4173-91.1-97.7000111.3L142 G146 Y147L142-H144 PolarHBondContact O-N 3.29Å; H144-G146 PolarHBondContact O-N 3.22Å; H144-Y147 PolarHBondContact O-N 2.92Å
145R55.1Low61.3Low195 Ų195109 Ų10974%0.73654%0.54SS*.THydrogen-bonded Turntrans-65.717.4-172.3-110.6-170.6-153-156.912.3116.8D124 T143D124-R145 IonicContact OD2-CZ 3.56Å; D124-R145 IonicContact OD2-NE 3.52Å; D124-R145 PolarHBondContact OD2-NE 3.14Å; D124-R145 IonicContact OD2-NH2 2.77Å; D124-R145 PolarHBondContact OD2-NH2 3.31Å; T143-R145 PolarHBondContact O-N 2.76Å
146G43.1Very low58.6Low55 Ų55113 Ų11357%0.56757%0.568SS**THydrogen-bonded Turntrans-152.227-174.200000114.3H144H144-G146 PolarHBondContact O-N 3.22Å
147Y44.8Very low55.9Low202 Ų202110 Ų11079%0.79257%0.569SS**SBendtrans-108.47.9-178.5-123.9-84.3000114.9H144H144-Y147 PolarHBondContact O-N 2.92Å
148F40.1Very low53Low186 Ų186114.2 Ų114.282%0.81660%0.599SS**SBendtrans-123.7-8.3179.7-86.6-81.3000115G150F148-G150 PolarHBondContact O-N 3.02Å
149E37Very low50.1Low192 Ų192120.1 Ų120.190%0.89762%0.624SS**THydrogen-bonded Turntrans-80.590.7166.6-66.2-17515100108.7
150G32Very low47.3Very low70 Ų70124.9 Ų124.972%0.72266%0.663SS**THydrogen-bonded Turntrans14511.3175.900000118.2F148F148-G150 PolarHBondContact O-N 3.02Å
151R33.1Very low44.4Very low220 Ų220122.9 Ų122.983%0.8368%0.678SS**  trans-129.490.1168.2-80.3-171.3176.3168.40.6111.8I153R151-I153 PolarHBondContact O-N 3.44Å
152D30.8Very low41.7Very low158 Ų158130.8 Ų130.885%0.84571%0.714SS**  trans-65.899.5164.5-66.8-60.3000109.7A154D152-A154 PolarHBondContact O-N 3.5Å
153I33.7Very low39.1Very low154 Ų154134.7 Ų134.779%0.7974%0.735SS**  trans-80.572.2171.2-53.4-178.4000108.4R151R151-I153 PolarHBondContact O-N 3.44Å
154A30.5Very low36.9Very low75 Ų75139.2 Ų139.262%0.6277%0.768SS**  trans-106.5143161.900000108.9D152D152-A154 PolarHBondContact O-N 3.5Å
155T30.9Very low35.4Very low122 Ų122134.6 Ų134.675%0.74876%0.763SS**  trans65.573.9171-41.80000116.2
156T30.9Very low34.3Very low143 Ų143135.9 Ų135.988%0.87777%0.77SS**  trans-108.177.5147.727.40000109.7
157S33.6Very low33.7Very low81 Ų81138.4 Ų138.457%0.56678%0.779SS**  trans-142.4118.4178.157.20000111.9
158S33.5Very low33.1Very low97 Ų97133.5 Ų133.568%0.67877%0.774SS**  trans67.7148.7165.166.20000118.5
159F33.9Very low32.7Very low190 Ų190131.4 Ų131.483%0.83377%0.771SS**  trans64.3121.4176.3-52.7-76.2000115.2
160A34.7Very low32.6Very low100 Ų100130.3 Ų130.383%0.82677%0.77SS**  cis67.299.622.700000113.9
161G33.5Very low32.6Very low72 Ų72133.5 Ų133.574%0.74277%0.77SS**  trans157.6137.3-178.900000109.9
162E35.4Very low32.7Very low180 Ų180129.4 Ų129.484%0.84177%0.769SS**  trans-79.2173.4-175.1-65.9117.2123.500115.2
163D33.2Very low32.8Very low148 Ų148127.9 Ų127.979%0.79176%0.761SS**  trans63.4110.2150.9-70.3-9.6000122.8
164S34.7Very low32.9Very low124 Ų124128.2 Ų128.287%0.86776%0.759SS**  trans81.5149.5130.581.80000120.6
165G28.2Very low33.2Very low62 Ų62129 Ų12964%0.63976%0.76SS**  trans109.497143.100000119.7
166Y33.7Very low33.4Very low222 Ų222127.4 Ų127.487%0.87176%0.759SS**  trans66.3132138.9-75.6-83.8000124
167S30.6Very low33.6Very low108 Ų108125.1 Ų125.176%0.75575%0.749SS**  trans66.2146146.1-58.40000118.5
168S32.1Very low33.7Very low99 Ų99132.3 Ų132.369%0.69276%0.763SS**  cis-150.8130.323.8-161.60000109.6
169L31.8Very low33.9Very low143 Ų143132.6 Ų132.675%0.74977%0.765SS**  46.2134.6103.9-51.1178.1000115.2
170L33.9Very low34.1Very low169 Ų169129.3 Ų129.389%0.88577%0.766SS**  -145.7171.955.2-82.6164.2000116.1
171L31.7Very low34.2Very low137 Ų137133 Ų13372%0.71777%0.768SS**  trans-96.6165-172.9-138.581.6000113
172V35.8Very low34.6Very low134 Ų134135.2 Ų135.281%0.81277%0.77SS**  -155.9125.3118.1177.40000110.2
173N32.4Very low34.7Very low125 Ų125131.8 Ų131.867%0.66877%0.765SS**  trans13.8158.7148.3-66.910.7000122.9
174E35.4Very low35.2Very low161 Ų161130.9 Ų130.975%0.75277%0.768SS**  cis-152.716328.1-147.5-166101.600115.5
175S36.6Very low35.2Very low93 Ų93130.6 Ų130.665%0.6576%0.761SS**  trans34.3135.3150.354.10000122.5
176A35.1Very low35.7Very low87 Ų87136.7 Ų136.772%0.71977%0.772SS**  cis-165.2159.1-8.600000114
177S35.8Very low36.1Very low95 Ų95131.4 Ų131.466%0.66476%0.763SS**  trans69.1108.2149.5-67.30000123.3
178R35.7Very low36.7Very low232 Ų232131.3 Ų131.388%0.87576%0.76SS**  trans68.6140.2132.4-57.5167.5-168.9-110.40.7118.7
179S38Very low37.1Very low103 Ų103138.4 Ų138.472%0.7277%0.772SS**  cis-170147.2-8.647.10000113
180S38Very low37.3Very low121 Ų121137.2 Ų137.285%0.84677%0.77SS**  trans76.5130.8152.8-56.20000121.9
181M37.6Very low37.5Very low177 Ų177137.1 Ų137.187%0.87277%0.77SS**  trans-87-174.3166.2-78.4-83.816100110.8
182P41.4Very low37.8Very low119 Ų119135.1 Ų135.177%0.77377%0.768SS**  cis-134.7-176.62.832.7-9.6000116.4
183S36.5Very low37.9Very low108 Ų108138.8 Ų138.876%0.75577%0.773SS**  trans-71.9172.2170.7-35.70000114.5
184P43.4Very low38Very low129 Ų129144.4 Ų144.484%0.83879%0.785SS**  trans-135.3159.7131.338.7-29.3000115.8
185T34.8Very low38Very low118 Ų118140.8 Ų140.872%0.72478%0.783SS**  trans-79.5151.1-179.4-45.70000113
186H39.4Very low38Very low190 Ų190148 Ų14888%0.8880%0.795SS**  trans-154.8145.1142.4-114.1-75.5000113.7
187T42.7Very low38Very low111 Ų111151 Ų15168%0.68180%0.8SS**  trans-138.9-170.2179.161.30000108.3
188P42.9Very low38.1Very low107 Ų107156.2 Ų156.270%0.69581%0.81SS**  cis-122.9-171.8-46.731.6-14.7000110.8
189R39.9Very low38Very low247 Ų247153.3 Ų153.393%0.93281%0.807SS**  trans-158.7151.4137.6-115.3166.5-172.7123.11.5113.3
190V36.6Very low37.9Very low118 Ų118154.3 Ų154.372%0.71581%0.808SS**  trans-122.1141.7-178.71730000108.6
191L38.7Very low37.8Very low167 Ų167153.2 Ų153.287%0.87480%0.801SS**  trans-135139.1152.6-77.5-179.8000109.3
192S36.5Very low37.6Very low96 Ų96149.9 Ų149.967%0.67180%0.795SS**  trans-136.1141.4178.657.70000109.6
193F37.7Very low37.3Very low211 Ų211149.4 Ų149.493%0.92579%0.794SS**  trans-136.3150.6164.8-88.2-79.2000109.4
194R35Very low37.2Very low242 Ų242149.4 Ų149.491%0.91380%0.795SS**  trans-140.1147.9-162.8-126.2-177.9-178.3178.30.2110.8
195A36Very low36.8Very low86 Ų86149.5 Ų149.571%0.71179%0.793SS**  trans63.1129.4156.900000119.1
196R37.3Very low36.8Very low243 Ų243148.7 Ų148.792%0.91779%0.792SS**  -165.3146.493.3-99.4175.1-1751361.3112.2
197D33.5Very low36.5Very low151 Ų151144.2 Ų144.281%0.80778%0.782SS**  trans-75.4153.5171.9-46.1-98.9000112.2
198K38.6Very low36Very low205 Ų205149.8 Ų149.889%0.89179%0.791SS**  trans-160.5170.1134.5-113.6171.9-176.2-174.60112.3
199Q33.3Very low35.6Very low171 Ų171150.5 Ų150.580%0.79980%0.798SS**  trans-102.2-167.1-158.3-60.9161.6-53.300113.2
200T35.2Very low35.4Very low123 Ų123144.4 Ų144.476%0.75579%0.793SS**  trans89.7100.1154.473.30000120.7
201S35.8Very low35.4Very low99 Ų99144.7 Ų144.769%0.69280%0.801SS**  71.2114119.368.30000123.3
202S33.7Very low35.3Very low106 Ų106142.7 Ų142.774%0.74180%0.801SS**  81159.7121.975.80000121.8
203S36.5Very low35Very low109 Ų109142.5 Ų142.576%0.76281%0.805SS**  trans66.3130.7-177.671.30000116.5
204S33.3Very low35.1Very low109 Ų109140 Ų14076%0.76280%0.8SS**  cis109.583.84.982.40000117.4
205T35.7Very low35Very low130 Ų130135.7 Ų135.780%0.79880%0.795SS**  trans-171123152.934.50000106.9
206S34.5Very low34.7Very low102 Ų102139.8 Ų139.871%0.71380%0.801SS**  61.8134.468.4780000114.3
207S33.6Very low34.8Very low96 Ų96135.2 Ų135.267%0.67180%0.8SS**  cis-176.9178.6-6.754.40000110.5
208R32.5Very low34.8Very low228 Ų228134.7 Ų134.786%0.8680%0.802SS**  trans78.2134.4168.7-59.2163.6153.8-174.7-9115.9
209S34.2Very low34.4Very low121 Ų121130.8 Ų130.885%0.84680%0.8SS**  cis98.996.44.8-440000118.5
210S35Very low34.4Very low119 Ų119126.9 Ų126.983%0.83280%0.798SS**  trans-169.2127.7151.648.80000108.3
211S35.8Very low34.4Very low125 Ų125125.5 Ų125.587%0.87479%0.793SS**  cis104.9101.523-176.80000113.2
212S37.4Very low34.2Very low125 Ų125127.4 Ų127.487%0.87480%0.795SS**  trans-142.7152.7157.5570000109
213A30.6Very low34.4Very low92 Ų92127.5 Ų127.576%0.7679%0.791SS**  trans-130.7156.3-174.400000110.9
214I40.7Very low34.3Very low159 Ų159126.9 Ų126.982%0.81578%0.78SS**  trans-146.4126153.2-80.6110.3000108.9
215D31.7Very low34.5Very low150 Ų150129.2 Ų129.280%0.80278%0.783SS**  trans36.5156.3156-68.9-62.6000126.5
216M30.4Very low34.9Very low172 Ų172128 Ų12885%0.84777%0.771SS**  trans-118.8144.4-179.4-63.7168.9-79.800110.9
217V39.3Very low35.4Very low148 Ų148127.3 Ų127.390%0.89777%0.765SS**  trans-129.3146.9155.3-66.50000109.8
218V32.3Very low35.4Very low139 Ų139128.6 Ų128.684%0.84276%0.764SS**  trans-103.7133-163175.30000112.3
219S32.2Very low35.5Very low123 Ų123122.1 Ų122.186%0.8675%0.754SS**  trans-158.4152.7155.4-83.50000111.6
220A32.6Very low35.6Very low90 Ų90123.5 Ų123.574%0.74475%0.752SS**  trans-84.1168.6-178.600000111.4
221S34.9Very low35.6Very low94 Ų94123.1 Ų123.166%0.65776%0.756SS**  cis-158-174.331.4-53.10000113.7
222D32.4Very low35.6Very low139 Ų139128.1 Ų128.174%0.74376%0.756SS**  trans75.467.1153.7-67.46.5000120.9
223T37.5Very low35.5Very low107 Ų107125.4 Ų125.466%0.65675%0.747SS**  trans-123.2156.6138.873.60000108.3
224D34.7Very low35.7Very low97 Ų97128.5 Ų128.552%0.51975%0.751SS.*  cis-134.6140.228.2-60.7-40.8000113.8
225L37.7Very low35.3Very low158 Ų158126.8 Ų126.883%0.82775%0.748SS**  trans-152.191.2157-83.7-172.4000111.8R82R82-L225 PolarHBondContact NH2-O 3.19Å
226L43.9Very low35.4Very low104 Ų104126.3 Ų126.355%0.54576%0.755SS.*  trans-155.1163.1158.1-98.6176.7000109.6
227C44.6Very low35.7Very low87 Ų87125.4 Ų125.459%0.58875%0.749SS**  trans62.8134-171.988.50000117
228D32.5Very low35.4Very low123 Ų123129.2 Ų129.266%0.65875%0.747SS**  cis-149158.7-26.7-122-44.8000113.8R66R66-D228 IonicContact CZ-OD1 2.68Å; R66-D228 IonicContact NH2-OD1 3.6Å; R66-D228 PolarHBondContact NH2-OD1 3.42Å; R66-D228 IonicContact NH2-OD2 3.33Å
229S36.2Very low35.7Very low92 Ų92128 Ų12864%0.64374%0.74SS**  trans-148.891.8-179.3-66.30000111.6
230N35.4Very low36.1Very low150 Ų150129.7 Ų129.780%0.80274%0.736SS**  trans-172.979.2140.3-99.9-11.8000110.9
231A36Very low36.3Very low112 Ų112131.4 Ų131.493%0.92673%0.733SS**  trans-96.481.916200000109
232R35.5Very low36.6Very low230 Ų230136.4 Ų136.487%0.86875%0.746SS**  trans-121.2141.6157.3-69.5177.5174.7170.6-3105.6
233G35.3Very low37.1Very low67 Ų67140.2 Ų140.269%0.69175%0.75SS**  cis148.266.28.200000108.9
234D33.8Very low37.2Very low158 Ų158142.5 Ų142.585%0.84576%0.758SS**  trans62.8150.5171.5-56.7-41.3000120.4
235T33Very low37.3Very low123 Ų123141.9 Ų141.976%0.75576%0.761SS**  trans9195.3164.1-39.30000118.6
236C34.2Very low37.1Very low139 Ų139139.4 Ų139.494%0.93976%0.757SS**  trans-144.2141.4136.4-103.80000108
237Q36.4Very low36.9Very low154 Ų154143.5 Ų143.572%0.7277%0.773SS**  trans-121.5137.3-167.7-67.2173.3-56.300112.8
238R32.7Very low36.4Very low228 Ų228148.2 Ų148.286%0.8679%0.787SS**  trans62.5161.1158.8-57.4168.4172.1174.3-4.6113.8
239T38.3Very low36.7Very low113 Ų113146 Ų14669%0.69379%0.792SS**  cis-162.1157.737.7440000111.7
240M40.7Very low37Very low158 Ų158148.1 Ų148.178%0.77880%0.801SS**  trans60.2119.8164.4-52.9-43.9169.500116.9
241D36.6Very low37.2Very low127 Ų127147.2 Ų147.268%0.67980%0.801SS**  76.3103.760.9-80-74.4000114.3
242E42Very low37.4Very low199 Ų199147.3 Ų147.393%0.9380%0.795SS**  trans-155.3170.1130.8-122.8-174.4151.400111.4
243R41.4Very low37.5Very low218 Ų218139.5 Ų139.582%0.82379%0.786SS**  trans-132.1158.7-163-55174-170.9155.34.5112.7
244N39.8Very low38Very low155 Ų155147.7 Ų147.783%0.82980%0.798SS**  133.1152118.7-158.527.5000116.5
245S37.6Very low38.6Very low84 Ų84148 Ų14859%0.58780%0.799SS**  trans43.7105.2158.4-157.40000118.9
246S34.2Very low38.9Very low106 Ų106146 Ų14674%0.74179%0.794SS**  59.911261.581.70000116.7
247H39.1Very low39.2Very low191 Ų191144.4 Ų144.488%0.88479%0.785SS**  trans-159.7161.7142.5-149.3-90.5000111.4
248E34.5Very low39.5Very low186 Ų186142.7 Ų142.787%0.86979%0.785SS**  trans-103.8168.6-168.7-54.6-149.4138.300116
249G38.8Very low40Very low75 Ų75140.5 Ų140.577%0.77378%0.782SS**  trans-169.593.817600000115.9
250V41.4Very low40.1Very low137 Ų137140.9 Ų140.983%0.8379%0.789SS**  trans-41.8144.6168.6-137.20000113.2
251T40.3Very low40.2Very low131 Ų131137.6 Ų137.680%0.80479%0.787SS**  -177.817965.152.10000110.5
252S40.1Very low40.3Very low114 Ų114139.1 Ų139.180%0.79780%0.795SS**  cis173.6143.1-40.4-172.60000108.6
253G38.2Very low40.5Very low66 Ų66135.6 Ų135.668%0.6878%0.783SS**  trans94.9143.4175.400000115.4
254Y44.4Very low40.5Very low240 Ų240135.4 Ų135.494%0.94178%0.782SS**  cis-134.4157.37.9-97.4-98.3000113.8
255L46.1Very low40.4Very low165 Ų165132.4 Ų132.486%0.86478%0.779SS**  trans-90.7174.7176.5-70.7161.1000110.9
256A39.7Very low40.6Very low80 Ų80134 Ų13466%0.66179%0.79SS**  cis-179.4167-26.800000108.2
257S40.2Very low41.1Very low106 Ų106137.6 Ų137.674%0.74180%0.8SS**  trans172.1112.1148.7-85.60000112.6
258T44.4Very low41.1Very low117 Ų117133.8 Ų133.872%0.71879%0.794SS**  67.9142100.865.10000117
259K42.5Very low41.3Very low183 Ų183128.4 Ų128.480%0.79679%0.789SS**  cis-169.3161.40.6-114.8168.1-176178.60110.1
260S40.5Very low41.8Very low120 Ų120134 Ų13484%0.83980%0.798SS**  trans65.4157.5156.3-77.60000118.4
261A43.4Very low41.8Very low90 Ų90137.4 Ų137.474%0.74480%0.801SS**  cis-148.4167.4-8.100000111
262D38.5Very low41.7Very low159 Ų159140.3 Ų140.385%0.8581%0.806SS**  trans-77.3152.2-179.2-38.8-103.1000113.6
263D45.5Very low41.7Very low125 Ų125141.8 Ų141.867%0.66881%0.81SS**  trans-165.8151.4135.5-134.6-26.9000115.9
264R41.6Very low41.7Very low214 Ų214141.9 Ų141.981%0.80881%0.811SS**  trans60.7147.4163.9-68.4-175.518066.220.8122.2
265A37.7Very low41.2Very low92 Ų92136.1 Ų136.176%0.7681%0.806SS**  trans-139.4-177.7-17700000111.5
266S40.9Very low40.8Very low116 Ų116135.4 Ų135.481%0.81180%0.803SS**  trans70.9103.3163.7-58.50000119
267L44.8Very low41Very low183 Ų183134.6 Ų134.696%0.95880%0.803SS**  -147.3164.1121.6-141.868.6000111.2
268S40.6Very low41.4Very low110 Ų110138 Ų13877%0.76981%0.807SS**  trans-108127.3-151.8550000116.2
269G36.9Very low41.5Very low74 Ų74138.9 Ų138.976%0.76380%0.803SS**  trans45.7131.2130.400000122.3
270M50.3Low42Very low192 Ų192133.7 Ų133.795%0.94679%0.79SS**  trans-151.2122152.7-106.3171-167.400112.6
271K40.8Very low42.5Very low209 Ų209136.5 Ų136.591%0.90979%0.787SS**  trans38.7130.9157.8-75.8-176.2171.1-179.20122.2
272E39.1Very low43.1Very low191 Ų191140.6 Ų140.689%0.89379%0.788SS**  trans-77.8130.8161-54174.6132.200112.4
273T40.7Very low44.1Very low145 Ų145137.1 Ų137.189%0.8977%0.77SS**  trans-162.4138.7144.246.90000105.9
274G37.1Very low45.2Very low69 Ų69138.7 Ų138.771%0.71177%0.77SS**  cis141.8119.76.700000108.2
275S34.7Very low47.2Very low118 Ų118131.1 Ų131.183%0.82575%0.754SS**  trans72.2114-169.2-160.40000115.9
276N37.6Very low49.6Very low150 Ų150132.4 Ų132.480%0.80274%0.742SS**  trans-164.175.2159.3-107.1-14.6000109.4
277G42.6Very low52Low64 Ų64127.6 Ų127.666%0.6671%0.708SS**  trans-118.6-18.5-174.800000116.1
278E48.7Very low54.2Low177 Ų177121.6 Ų121.683%0.82768%0.68SS**SBendtrans-115.7-14.4-160.3-57-162.9134.500115.6S280E278-S280 VanDerWaalsContact C-N 3.29Å; E278-S280 PolarHBondContact O-N 3.17Å
279E46.4Very low56.7Low136 Ų136118.3 Ų118.364%0.63665%0.651SS**G310 helixtrans-64.5-28.6-176.8-70.3-169.612000114.3K281 F282E279-K281 PolarHBondContact O-N 3.14Å; E279-F282 PolarHBondContact O-N 3.2Å
280S53.3Low59.5Low74 Ų74115.6 Ų115.652%0.51762%0.62SS.*G310 helixtrans-59.1-6.7-166.267.30000117.3E278E278-S280 VanDerWaalsContact C-N 3.29Å; E278-S280 PolarHBondContact O-N 3.17Å
281K51.6Low61.7Low179 Ų179109.2 Ų109.278%0.77859%0.586SS**G310 helixtrans-92.6-26.9174.3-69.9179.1-179.8172.10113.5E279E279-K281 PolarHBondContact O-N 3.14Å
282F55.6Low64.3Low175 Ų17599.8 Ų99.877%0.76855%0.547SS*.THydrogen-bonded Turntrans-83-32.3-179.1-75.8-77.5000113.1E279 K284 A285E279-F282 PolarHBondContact O-N 3.2Å; F282-K284 PolarHBondContact O-N 3.23Å; F282-A285 WeakPolarHBondContact O-CB 3.36Å; F282-A285 PolarHBondContact O-N 3Å
283D59.8Low67Low87 Ų8791.8 Ų91.847%0.46551%0.51SS..THydrogen-bonded Turntrans-55.4-22.1176.8-68-40.1000115P321 Y322D283-P321 HydrophobicContact CB-CG 4.43Å; D283-Y322 PolarHBondContact O-N 2.87Å
284K69.1Low69.7Low157 Ų15784.9 Ų84.968%0.68347%0.467SS*.THydrogen-bonded Turntrans-100.90.7-176-55.8-176.4-172.3178.50112.7F282 Y322F282-K284 PolarHBondContact O-N 3.23Å; K284-Y322 WeakPolarHBondContact O-CD2 3.48Å
285A82.8Confident72.5Confident55 Ų5581.6 Ų81.646%0.45543%0.434SS..SBendtrans-75.4146.5171.700000111.1F282F282-A285 WeakPolarHBondContact O-CB 3.36Å; F282-A285 PolarHBondContact O-N 3Å
286K88.2Confident75.5Confident120 Ų12076.1 Ų76.152%0.52240%0.395SS..PPolyproline II helixtrans-68.1125.5171.8-175.9171.6-171.71630109.3Y322K286-Y322 HydrophobicContact CB-CD1 4.15Å; K286-Y322 HydrophobicContact CB-CD2 4.35Å; K286-Y322 HydrophobicContact CB-CE1 3.81Å; K286-Y322 HydrophobicContact CB-CE2 4.02Å; K286-Y322 HydrophobicContact CB-CG 4.41Å; K286-Y322 HydrophobicContact CD-CE1 3.97Å; K286-Y322 HydrophobicContact CG-CD1 4.14Å; K286-Y322 HydrophobicContact CG-CE1 3.61Å
287P90.5Very high78.3Confident14 Ų1469.1 Ų69.19%0.09136%0.358CS..PPolyproline II helixtrans-65.6148.2-175.224.7-33.8000112.4Y289 Y320 Y323P287-Y289 HydrophobicContact CB-CD2 4.1Å; P287-Y289 PolarHBondContact O-N 3.03Å; P287-Y320 HydrophobicContact CB-CD1 3.67Å; P287-Y320 HydrophobicContact CB-CE1 3.84Å; P287-Y320 HydrophobicContact CB-CG 4.23Å; P287-Y320 HydrophobicContact CG-CD1 3.86Å; P287-Y320 HydrophobicContact CG-CD2 4.48Å; P287-Y320 HydrophobicContact CG-CE1 4.41Å; P287-Y320 HydrophobicContact CG-CG 3.9Å; P287-Y323 HydrophobicContact CG-CE2 3.7Å
288P91.5Very high80.9Confident58 Ų5866 Ų6638%0.37733%0.326SS..SBendtrans-76.929.9-178.134.1-38000113.8Q377 R378P288-Q377 HydrophobicContact CB-CB 4.21Å; P288-Q377 HydrophobicContact CB-CG 4.44Å; P288-Q377 HydrophobicContact CG-CB 4.11Å; P288-Q377 HydrophobicContact CG-CG 3.8Å; P288-R378 PolarHBondContact O-N 2.88Å
289Y94.1Very high83.2Confident40 Ų4057.6 Ų57.616%0.15729%0.287CS..SBendtrans-115.6148.7-178.3-58.4-56.7000110.9P287 L294 Y320 F375 Q377P287-Y289 HydrophobicContact CB-CD2 4.1Å; P287-Y289 PolarHBondContact O-N 3.03Å; Y289-L294 HydrophobicContact CD2-CD2 4.36Å; Y289-Y320 HydrophobicContact CD2-CE1 4.33Å; Y289-Y320 AromaticContact CD2-CZ 3.94Å; Y289-Y320 HydrophobicContact CE2-CE1 4.32Å; Y289-Y320 WeakPolarHBondContact CE2-OH 3.25Å; Y289-F375 WeakPolarHBondContact CE1-O 3.5Å; Y289-Q377 HydrophobicContact CE1-CB 4.39Å; Y289-Q377 HydrophobicContact CE1-CG 3.83Å
290S94.9Very high85.5Confident17 Ų1753.1 Ų53.112%0.11927%0.271CS..  trans-81.5159.6171.959.90000112.5A292 Q293 L294 R378S290-A292 PolarHBondContact O-N 2.73Å; S290-Q293 PolarHBondContact O-N 2.9Å; S290-Q293 WeakPolarHBondContact OG-CG 3.41Å; S290-Q293 PolarHBondContact OG-N 3.1Å; S290-Q293 PolarHBondContact OG-OE1 3.16Å; S290-L294 WeakPolarHBondContact O-CG 3.46Å; S290-L294 PolarHBondContact O-N 2.87Å; S290-R378 VanDerWaalsContact CB-CZ 3.42Å
291Y96.5Very high87.5Confident59 Ų5952.9 Ų52.923%0.23127%0.269CS..Hα-helixtrans-54.7-38.9175.1-62.9-54.5000112.8L294 I295 Y323 W330 S333 I334Y291-L294 HydrophobicContact CD1-CD1 4.25Å; Y291-L294 PolarHBondContact O-N 3.09Å; Y291-I295 WeakPolarHBondContact O-CD1 3.41Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.03Å; Y291-Y323 HydrophobicContact CE1-CE1 4.16Å; Y291-W330 HydrophobicContact CE1-CB 4.33Å; Y291-S333 WeakPolarHBondContact CE2-OG 3.29Å; Y291-I334 HydrophobicContact CD1-CD1 3.98Å; Y291-I334 HydrophobicContact CD1-CG1 4.43Å; Y291-I334 HydrophobicContact CG-CD1 4.4Å
292A95.8Very high89.5Confident11 Ų1145.9 Ų45.99%0.09124%0.241CC..Hα-helixtrans-59.6-48.8171.800000112.5S290 L294 I295 V296 Y343 F344S290-A292 PolarHBondContact O-N 2.73Å; A292-L294 PolarHBondContact O-N 2.87Å; A292-I295 PolarHBondContact O-N 2.98Å; A292-V296 WeakPolarHBondContact O-CG2 3.26Å; A292-V296 PolarHBondContact O-N 3.41Å; A292-Y343 WeakPolarHBondContact CB-OH 3.42Å; A292-F344 HydrophobicContact CB-CE2 4.4Å; A292-F344 HydrophobicContact CB-CZ 4.36Å
293Q95.8Very high91.4Very high22 Ų2242.8 Ų42.810%0.10325%0.248CC..Hα-helixtrans-62.1-41.4177.3-70.9166.3-70.600112.2S290 I295 V296 Q297 F373 R376S290-Q293 PolarHBondContact O-N 2.9Å; S290-Q293 WeakPolarHBondContact OG-CG 3.41Å; S290-Q293 PolarHBondContact OG-N 3.1Å; S290-Q293 PolarHBondContact OG-OE1 3.16Å; Q293-I295 VanDerWaalsContact C-N 3.3Å; Q293-I295 PolarHBondContact O-N 3.31Å; Q293-V296 PolarHBondContact O-N 3.3Å; Q293-Q297 VanDerWaalsContact O-CG 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 3.14Å; Q293-F373 PolarHBondContact NE2-O 2.73Å; Q293-R376 PolarHBondContact NE2-O 3.42Å
294L96.5Very high93Very high0 Ų045 Ų450%026%0.255CS..Hα-helixtrans-61.8-36175.7-67.6173.5000112.4Y289 S290 Y291 A292 A298 I316 Y320 Y323Y289-L294 HydrophobicContact CD2-CD2 4.36Å; S290-L294 WeakPolarHBondContact O-CG 3.46Å; S290-L294 PolarHBondContact O-N 2.87Å; Y291-L294 HydrophobicContact CD1-CD1 4.25Å; Y291-L294 PolarHBondContact O-N 3.09Å; A292-L294 PolarHBondContact O-N 2.87Å; L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.48Å; L294-A298 VanDerWaalsContact O-N 3.1Å; L294-I316 HydrophobicContact CB-CD1 4.01Å; L294-I316 HydrophobicContact CB-CG1 4.23Å; L294-Y320 HydrophobicContact CD2-CD2 3.61Å; L294-Y320 HydrophobicContact CD2-CE2 3.29Å; L294-Y323 HydrophobicContact CD1-CE2 3.97Å
295I97.3Very high94.1Very high0 Ų042.5 Ų42.50%024%0.244CC..Hα-helixtrans-69.1-44173.9-66.1158.2000110.7Y291 A292 Q293 A298 I299 I312 I334 N337 L338 F344Y291-I295 WeakPolarHBondContact O-CD1 3.41Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.03Å; A292-I295 PolarHBondContact O-N 2.98Å; Q293-I295 VanDerWaalsContact C-N 3.3Å; Q293-I295 PolarHBondContact O-N 3.31Å; I295-A298 WeakPolarHBondContact O-CB 3.49Å; I295-A298 PolarHBondContact O-N 3.49Å; I295-I299 HydrophobicContact CG2-CD1 3.71Å; I295-I299 HydrophobicContact CG2-CG1 4.34Å; I295-I299 WeakPolarHBondContact O-CG1 3.4Å; I295-I299 PolarHBondContact O-N 3.25Å; I295-I312 HydrophobicContact CG1-CG2 4.13Å; I295-I312 HydrophobicContact CG2-CD1 4.28Å; I295-I334 HydrophobicContact CD1-CD1 4.03Å; I295-I334 HydrophobicContact CD1-CG2 4.3Å; I295-I334 HydrophobicContact CG1-CD1 3.83Å; I295-I334 HydrophobicContact CG1-CG2 4.33Å; I295-N337 HydrophobicContact CD1-CB 3.78Å; I295-L338 HydrophobicContact CD1-CD2 4.13Å; I295-L338 HydrophobicContact CD1-CG 4.01Å; I295-L338 HydrophobicContact CG2-CD2 3.68Å; I295-F344 HydrophobicContact CB-CE1 3.94Å; I295-F344 HydrophobicContact CB-CE2 4.31Å; I295-F344 HydrophobicContact CB-CZ 3.66Å; I295-F344 HydrophobicContact CD1-CE2 4Å; I295-F344 HydrophobicContact CD1-CZ 4.21Å; I295-F344 HydrophobicContact CG2-CD1 3.78Å; I295-F344 HydrophobicContact CG2-CE1 3.31Å; I295-F344 HydrophobicContact CG2-CE2 4.12Å; I295-F344 HydrophobicContact CG2-CG 4.38Å; I295-F344 HydrophobicContact CG2-CZ 3.5Å
296V96.8Very high94.7Very high4 Ų441.8 Ų41.82%0.02423%0.232CC..Hα-helixtrans-60-49.8176.8176.90000110.6A292 Q293 A298 I299 S300 F344 L362 L370 M371 A374A292-V296 WeakPolarHBondContact O-CG2 3.26Å; A292-V296 PolarHBondContact O-N 3.41Å; Q293-V296 PolarHBondContact O-N 3.3Å; V296-A298 VanDerWaalsContact C-N 3.25Å; V296-A298 PolarHBondContact O-N 3.42Å; V296-I299 PolarHBondContact O-N 3.41Å; V296-S300 WeakPolarHBondContact O-CB 3.29Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.31Å; V296-F344 HydrophobicContact CG2-CE1 3.87Å; V296-F344 HydrophobicContact CG2-CZ 4.1Å; V296-L362 HydrophobicContact CG1-CD1 4.07Å; V296-L362 HydrophobicContact CG2-CD2 3.98Å; V296-L370 HydrophobicContact CG1-CB 4.07Å; V296-L370 HydrophobicContact CG2-CB 4.15Å; V296-M371 HydrophobicContact CG1-CG 4.49Å; V296-A374 HydrophobicContact CB-CB 4.17Å; V296-A374 HydrophobicContact CG1-CB 3.73Å
297Q96.3Very high95.1Very high2 Ų237.4 Ų37.41%0.00921%0.214CC..Hα-helixtrans-53.3-43.1174.5-69.6171.33.600111.9Q293 S301 Y315 Y320 A374 F375Q293-Q297 VanDerWaalsContact O-CG 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 3.14Å; Q297-S301 PolarHBondContact O-N 2.95Å; Q297-Y315 HydrophobicContact CB-CE1 3.87Å; Q297-Y315 PolarHBondContact O-OH 3.37Å; Q297-Y320 PolarHBondContact OE1-OH 2.89Å; Q297-Y320 VanDerWaalsContact OE1-OH 3.11Å; Q297-A374 HydrophobicContact CG-CB 4Å; Q297-A374 PolarHBondContact NE2-O 3.42Å; Q297-F375 HydrophobicContact CG-CD1 4.41Å; Q297-F375 HydrophobicContact CG-CE1 3.97Å; Q297-F375 HydrophobicContact CG-CZ 4.13Å
298A97.2Very high95.4Very high0 Ų038.1 Ų38.10%022%0.218CC..Hα-helixtrans-64.4-4917900000112.3L294 I295 V296 S301 L307 I312 Y315L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.48Å; L294-A298 VanDerWaalsContact O-N 3.1Å; I295-A298 WeakPolarHBondContact O-CB 3.49Å; I295-A298 PolarHBondContact O-N 3.49Å; V296-A298 VanDerWaalsContact C-N 3.25Å; V296-A298 PolarHBondContact O-N 3.42Å; A298-S301 PolarHBondContact O-N 3.34Å; A298-S301 PolarHBondContact O-OG 2.74Å; A298-L307 HydrophobicContact CB-CD2 3.82Å; A298-I312 HydrophobicContact CB-CG1 4.42Å; A298-I312 HydrophobicContact CB-CG2 4.43Å; A298-Y315 VanDerWaalsContact CA-CD1 3.45Å; A298-Y315 HydrophobicContact CB-CD1 3.39Å; A298-Y315 HydrophobicContact CB-CD2 4.33Å; A298-Y315 HydrophobicContact CB-CE1 3.96Å; A298-Y315 HydrophobicContact CB-CG 3.6Å
299I96.8Very high95.7Very high0 Ų037.6 Ų37.60%021%0.212CC..Hα-helixtrans-66.7-46.7-178.4-64.4170.4000110.7I295 V296 S301 T302 K305 L307 F344 W360 L362I295-I299 HydrophobicContact CG2-CD1 3.71Å; I295-I299 HydrophobicContact CG2-CG1 4.34Å; I295-I299 WeakPolarHBondContact O-CG1 3.4Å; I295-I299 PolarHBondContact O-N 3.25Å; V296-I299 PolarHBondContact O-N 3.41Å; I299-S301 PolarHBondContact O-N 3.06Å; I299-S301 VanDerWaalsContact O-N 3.13Å; I299-T302 PolarHBondContact O-N 2.96Å; I299-T302 PolarHBondContact O-OG1 3.43Å; I299-K305 VanDerWaalsContact CG2-C 3.49Å; I299-K305 WeakPolarHBondContact CG2-O 3.29Å; I299-L307 HydrophobicContact CG1-CB 4.23Å; I299-F344 HydrophobicContact CD1-CD1 4.13Å; I299-F344 HydrophobicContact CD1-CE1 4.4Å; I299-W360 HydrophobicContact CD1-CB 4.38Å; I299-L362 HydrophobicContact CB-CG 4.37Å; I299-L362 HydrophobicContact CD1-CD2 4.2Å; I299-L362 HydrophobicContact CD1-CG 4.46Å; I299-L362 HydrophobicContact CG2-CD1 4.39Å; I299-L362 HydrophobicContact CG2-CG 3.98Å
300S94.8Very high95.8Very high42 Ų4239.6 Ų39.629%0.29423%0.231SC..Hα-helixtrans-66.4-10.8178.4-61.10000114.5V296 T302 M371V296-S300 WeakPolarHBondContact O-CB 3.29Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.31Å; S300-T302 VanDerWaalsContact C-N 3.3Å; S300-M371 VanDerWaalsContact OG-CG 3.27Å; S300-M371 WeakPolarHBondContact OG-CG 3.49Å; S300-M371 PolarHBondContact OG-SD 3.2Å
301S94.8Very high95.9Very high68 Ų6839.6 Ų39.648%0.47623%0.234SC..THydrogen-bonded Turntrans-80.1-9.1171.6780000114.2Q297 A298 I299 Y315Q297-S301 PolarHBondContact O-N 2.95Å; A298-S301 PolarHBondContact O-N 3.34Å; A298-S301 PolarHBondContact O-OG 2.74Å; I299-S301 PolarHBondContact O-N 3.06Å; I299-S301 VanDerWaalsContact O-N 3.13Å; S301-Y315 VanDerWaalsContact OG-CD2 3.28Å; S301-Y315 WeakPolarHBondContact OG-CD2 3.47Å; S301-Y315 WeakPolarHBondContact OG-CE2 3Å
302T95Very high95.9Very high33 Ų3336.8 Ų36.820%0.20222%0.223CC..SBendtrans-96.9138.8177.965.90000111.3I299 S300 E304 K305 Q306 L307I299-T302 PolarHBondContact O-N 2.96Å; I299-T302 PolarHBondContact O-OG1 3.43Å; S300-T302 VanDerWaalsContact C-N 3.3Å; T302-E304 PolarHBondContact O-N 3.11Å; T302-K305 PolarHBondContact O-N 2.99Å; T302-K305 VanDerWaalsContact O-N 3.09Å; T302-K305 WeakPolarHBondContact OG1-CA 3.49Å; T302-K305 PolarHBondContact OG1-N 3.2Å; T302-Q306 PolarHBondContact OG1-N 3.26Å; T302-Q306 VanDerWaalsContact OG1-N 3.07Å; T302-Q306 PolarHBondContact OG1-O 2.94Å; T302-L307 HydrophobicContact CG2-CB 4.26Å; T302-L307 HydrophobicContact CG2-CD1 3.92Å; T302-L307 HydrophobicContact CG2-CD2 4.45Å; T302-L307 HydrophobicContact CG2-CG 4.43Å
303A94.5Very high96Very high109 Ų10937.7 Ų37.790%0.90122%0.224SC*.THydrogen-bonded Turntrans-61.1-33.3176.100000112.4K305A303-K305 VanDerWaalsContact C-N 3.28Å; A303-K305 PolarHBondContact O-N 3.18Å
304E93.1Very high96Very high135 Ų13539.3 Ų39.363%0.63124%0.242SC*.THydrogen-bonded Turntrans-78.9-4.7177.9-56.6-180-175.300113.9T302 Q306T302-E304 PolarHBondContact O-N 3.11Å; E304-Q306 HydrophobicContact CB-CG 3.71Å; E304-Q306 PolarHBondContact O-N 3.23Å; E304-Q306 VanDerWaalsContact O-N 3.16Å; E304-Q306 PolarHBondContact OE2-NE2 3.32Å
305K93.7Very high96.1Very high103 Ų10341.4 Ų41.445%0.44825%0.25SC..SBendtrans53.129.1-172.7-55.7179.1173.2-166.20114.2I299 T302 A303 E367I299-K305 VanDerWaalsContact CG2-C 3.49Å; I299-K305 WeakPolarHBondContact CG2-O 3.29Å; T302-K305 PolarHBondContact O-N 2.99Å; T302-K305 VanDerWaalsContact O-N 3.09Å; T302-K305 WeakPolarHBondContact OG1-CA 3.49Å; T302-K305 PolarHBondContact OG1-N 3.2Å; A303-K305 VanDerWaalsContact C-N 3.28Å; A303-K305 PolarHBondContact O-N 3.18Å; K305-E367 WeakPolarHBondContact CD-OE1 3.46Å; K305-E367 WeakPolarHBondContact CE-OE1 3.36Å; K305-E367 IonicContact NZ-OE1 3.59Å; K305-E367 PolarHBondContact NZ-OE1 3.49Å; K305-E367 IonicContact NZ-OE2 2.71Å; K305-E367 PolarHBondContact NZ-OE2 2.8Å
306Q94.8Very high96Very high41 Ų4141.4 Ų41.419%0.19225%0.25CC..EExtended strand (participates in β ladder)trans-142.3142.8177.463.9174.3-0.800111.2T302 E304 I347 F359 W360T302-Q306 PolarHBondContact OG1-N 3.26Å; T302-Q306 VanDerWaalsContact OG1-N 3.07Å; T302-Q306 PolarHBondContact OG1-O 2.94Å; E304-Q306 HydrophobicContact CB-CG 3.71Å; E304-Q306 PolarHBondContact O-N 3.23Å; E304-Q306 VanDerWaalsContact O-N 3.16Å; E304-Q306 PolarHBondContact OE2-NE2 3.32Å; Q306-I347 HydrophobicContact CB-CD1 4.13Å; Q306-F359 HydrophobicContact CB-CB 4.29Å; Q306-F359 HydrophobicContact CB-CD1 4.44Å; Q306-F359 HydrophobicContact CG-CD1 4.05Å; Q306-F359 HydrophobicContact CG-CG 4.41Å; Q306-W360 CarbonylContact C-O 3.6Å; Q306-W360 WeakPolarHBondContact CA-O 3.49Å
307L96.6Very high95.9Very high27 Ų2744 Ų4414%0.14126%0.263CS..EExtended strand (participates in β ladder)trans-142.7142.4-178.8-169.155.9000111.4A298 I299 T302 I312 W360A298-L307 HydrophobicContact CB-CD2 3.82Å; I299-L307 HydrophobicContact CG1-CB 4.23Å; T302-L307 HydrophobicContact CG2-CB 4.26Å; T302-L307 HydrophobicContact CG2-CD1 3.92Å; T302-L307 HydrophobicContact CG2-CD2 4.45Å; T302-L307 HydrophobicContact CG2-CG 4.43Å; L307-I312 HydrophobicContact CB-CG1 4.2Å; L307-I312 HydrophobicContact CD2-CB 4.49Å; L307-I312 HydrophobicContact CD2-CG1 3.83Å; L307-I312 HydrophobicContact CG-CG1 3.97Å; L307-W360 PolarHBondContact N-O 2.87Å; L307-W360 PolarHBondContact O-N 2.95Å
308T96.9Very high95.9Very high29 Ų2951.3 Ų51.318%0.17830%0.295CS..EExtended strand (participates in β ladder)trans-73.4157.217569.30000110.8S310 G311 I312 F359T308-S310 PolarHBondContact O-N 3.22Å; T308-G311 CarbonylContact O-C 3.57Å; T308-G311 WeakPolarHBondContact O-CA 3.26Å; T308-G311 PolarHBondContact O-N 3.02Å; T308-G311 PolarHBondContact OG1-N 3.11Å; T308-G311 VanDerWaalsContact OG1-N 3.15Å; T308-I312 PolarHBondContact O-N 3.38Å; T308-F359 HydrophobicContact CG2-CD1 3.77Å; T308-F359 HydrophobicContact CG2-CE1 3.71Å; T308-F359 HydrophobicContact CG2-CZ 4.43Å
309L97.3Very high95.7Very high48 Ų4854.4 Ų54.425%0.25131%0.311SS..Hα-helixtrans-53.9-39.9176.1179.463000112.8I312 Y313 I334 R335 L338L309-I312 PolarHBondContact O-N 3.02Å; L309-Y313 HydrophobicContact CD1-CE1 3.82Å; L309-Y313 HydrophobicContact CD1-CE2 4.42Å; L309-Y313 HydrophobicContact CG-CE1 4.3Å; L309-Y313 HydrophobicContact CG-CE2 4Å; L309-Y313 PolarHBondContact O-N 2.7Å; L309-I334 HydrophobicContact CD1-CG2 4.24Å; L309-R335 HydrophobicContact CD1-CG 4.04Å; L309-R335 HydrophobicContact CD2-CG 3.96Å; L309-L338 HydrophobicContact CD1-CD1 3.63Å
310S96.2Very high95.6Very high81 Ų8156.6 Ų56.657%0.56632%0.32SS*.Hα-helixtrans-65.9-38.1174.9-55.10000112.3T308 Y313 A314T308-S310 PolarHBondContact O-N 3.22Å; S310-Y313 PolarHBondContact O-N 3.02Å; S310-A314 PolarHBondContact O-N 3.36Å
311G96.8Very high95.5Very high17 Ų1756.4 Ų56.418%0.17532%0.318CS..Hα-helixtrans-64.3-40.2174.800000112.8T308 Y313 A314 Y315T308-G311 CarbonylContact O-C 3.57Å; T308-G311 WeakPolarHBondContact O-CA 3.26Å; T308-G311 PolarHBondContact O-N 3.02Å; T308-G311 PolarHBondContact OG1-N 3.11Å; T308-G311 VanDerWaalsContact OG1-N 3.15Å; G311-Y313 VanDerWaalsContact C-N 3.34Å; G311-Y313 PolarHBondContact O-N 2.83Å; G311-A314 PolarHBondContact O-N 2.75Å; G311-Y315 PolarHBondContact O-N 2.74Å
312I97.6Very high95.4Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-60.3-44.6174.8-65.3167.1000110.3I295 A298 L307 T308 L309 A314 Y315 I316 I334 L338 W360I295-I312 HydrophobicContact CG1-CG2 4.13Å; I295-I312 HydrophobicContact CG2-CD1 4.28Å; A298-I312 HydrophobicContact CB-CG1 4.42Å; A298-I312 HydrophobicContact CB-CG2 4.43Å; L307-I312 HydrophobicContact CB-CG1 4.2Å; L307-I312 HydrophobicContact CD2-CB 4.49Å; L307-I312 HydrophobicContact CD2-CG1 3.83Å; L307-I312 HydrophobicContact CG-CG1 3.97Å; T308-I312 PolarHBondContact O-N 3.38Å; L309-I312 PolarHBondContact O-N 3.02Å; I312-A314 PolarHBondContact O-N 3.07Å; I312-Y315 PolarHBondContact O-N 3.07Å; I312-I316 HydrophobicContact CG2-CD1 3.9Å; I312-I316 WeakPolarHBondContact O-CG1 3.45Å; I312-I316 PolarHBondContact O-N 3.4Å; I312-I316 VanDerWaalsContact O-N 3.11Å; I312-I334 HydrophobicContact CG2-CG2 3.95Å; I312-L338 HydrophobicContact CD1-CD1 4.05Å; I312-L338 HydrophobicContact CD1-CD2 4.14Å; I312-W360 HydrophobicContact CD1-CB 4.31Å
313Y97.2Very high95.3Very high30 Ų3054.6 Ų54.612%0.11830%0.297CS..Hα-helixtrans-61.3-44174.8-57.5-30.5000112L309 S310 G311 I316 I317 W330 Q331 I334 R335L309-Y313 HydrophobicContact CD1-CE1 3.82Å; L309-Y313 HydrophobicContact CD1-CE2 4.42Å; L309-Y313 HydrophobicContact CG-CE1 4.3Å; L309-Y313 HydrophobicContact CG-CE2 4Å; L309-Y313 PolarHBondContact O-N 2.7Å; S310-Y313 PolarHBondContact O-N 3.02Å; G311-Y313 VanDerWaalsContact C-N 3.34Å; G311-Y313 PolarHBondContact O-N 2.83Å; Y313-I316 PolarHBondContact O-N 3.32Å; Y313-I317 WeakPolarHBondContact O-CB 3.32Å; Y313-I317 WeakPolarHBondContact O-CG1 3.45Å; Y313-I317 PolarHBondContact O-N 3.04Å; Y313-W330 HydrophobicContact CD1-CH2 4.15Å; Y313-W330 AromaticContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CG-CH2 4.4Å; Y313-Q331 HydrophobicContact CD1-CB 4.3Å; Y313-Q331 HydrophobicContact CD1-CG 4Å; Y313-Q331 HydrophobicContact CE1-CB 3.67Å; Y313-Q331 HydrophobicContact CE1-CG 3.89Å; Y313-Q331 HydrophobicContact CE2-CB 4.48Å; Y313-Q331 HydrophobicContact CG-CG 4.37Å; Y313-I334 HydrophobicContact CD1-CG2 4.3Å; Y313-I334 HydrophobicContact CE1-CB 4.16Å; Y313-I334 HydrophobicContact CE1-CG2 3.88Å; Y313-R335 WeakPolarHBondContact OH-CG 3.21Å; Y313-R335 PolarHBondContact OH-NH1 2.84Å
314A96.7Very high95.2Very high57 Ų5756.3 Ų56.347%0.47128%0.28SS..Hα-helixtrans-64.1-41.4179.600000112.4S310 G311 I312 I317 K318S310-A314 PolarHBondContact O-N 3.36Å; G311-A314 PolarHBondContact O-N 2.75Å; I312-A314 PolarHBondContact O-N 3.07Å; A314-I317 PolarHBondContact O-N 3.2Å; A314-K318 VanDerWaalsContact O-CB 3.28Å; A314-K318 WeakPolarHBondContact O-CB 3.41Å; A314-K318 PolarHBondContact O-N 3.49Å
315Y97.2Very high94.9Very high44 Ų4456.2 Ų56.217%0.17329%0.289CS..Hα-helixtrans-60.9-49.3175.3-179.9-86.9000111.8Q297 A298 S301 G311 I312 I317 K318 N319Q297-Y315 HydrophobicContact CB-CE1 3.87Å; Q297-Y315 PolarHBondContact O-OH 3.37Å; A298-Y315 VanDerWaalsContact CA-CD1 3.45Å; A298-Y315 HydrophobicContact CB-CD1 3.39Å; A298-Y315 HydrophobicContact CB-CD2 4.33Å; A298-Y315 HydrophobicContact CB-CE1 3.96Å; A298-Y315 HydrophobicContact CB-CG 3.6Å; S301-Y315 VanDerWaalsContact OG-CD2 3.28Å; S301-Y315 WeakPolarHBondContact OG-CD2 3.47Å; S301-Y315 WeakPolarHBondContact OG-CE2 3Å; G311-Y315 PolarHBondContact O-N 2.74Å; I312-Y315 PolarHBondContact O-N 3.07Å; Y315-I317 VanDerWaalsContact C-N 3.34Å; Y315-I317 PolarHBondContact O-N 2.73Å; Y315-K318 PolarHBondContact O-N 3.12Å; Y315-N319 WeakPolarHBondContact CD1-ND2 3.09Å; Y315-N319 WeakPolarHBondContact CD2-ND2 3.21Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.46Å; Y315-N319 WeakPolarHBondContact CE2-ND2 3.44Å; Y315-N319 PolarHBondContact O-N 2.71Å; Y315-N319 PolarHBondContact O-ND2 2.94Å
316I96.5Very high94.4Very high0 Ų053.3 Ų53.30%028%0.281CS..Hα-helixtrans-62.5-43.7-179.9-67.6171.3000110.4L294 I312 Y313 K318 Y320 Y323 W330 I334L294-I316 HydrophobicContact CB-CD1 4.01Å; L294-I316 HydrophobicContact CB-CG1 4.23Å; I312-I316 HydrophobicContact CG2-CD1 3.9Å; I312-I316 WeakPolarHBondContact O-CG1 3.45Å; I312-I316 PolarHBondContact O-N 3.4Å; I312-I316 VanDerWaalsContact O-N 3.11Å; Y313-I316 PolarHBondContact O-N 3.32Å; I316-K318 PolarHBondContact O-N 3.01Å; I316-Y320 WeakPolarHBondContact O-CB 3.37Å; I316-Y320 PolarHBondContact O-N 2.81Å; I316-Y323 HydrophobicContact CG2-CD2 3.37Å; I316-Y323 HydrophobicContact CG2-CE2 3.86Å; I316-Y323 HydrophobicContact CG2-CG 3.8Å; I316-W330 HydrophobicContact CB-CH2 4.44Å; I316-W330 HydrophobicContact CB-CZ3 4.3Å; I316-W330 HydrophobicContact CD1-CZ3 4.29Å; I316-W330 HydrophobicContact CG2-CH2 4.26Å; I316-W330 HydrophobicContact CG2-CZ3 4.04Å; I316-I334 HydrophobicContact CD1-CD1 3.5Å; I316-I334 VanDerWaalsContact CD1-CD1 3.5Å; I316-I334 HydrophobicContact CD1-CG1 4.17Å
317I94.7Very high94Very high58 Ų5857.4 Ų57.430%0.29730%0.304SS..Hα-helixtrans-62.3-39.5174.5-81.2167000112.4Y313 A314 Y315 R324 W330Y313-I317 WeakPolarHBondContact O-CB 3.32Å; Y313-I317 WeakPolarHBondContact O-CG1 3.45Å; Y313-I317 PolarHBondContact O-N 3.04Å; A314-I317 PolarHBondContact O-N 3.2Å; Y315-I317 VanDerWaalsContact C-N 3.34Å; Y315-I317 PolarHBondContact O-N 2.73Å; I317-R324 HydrophobicContact CG2-CG 3.92Å; I317-R324 VanDerWaalsContact O-CZ 3.31Å; I317-R324 PolarHBondContact O-NE 2.95Å; I317-R324 PolarHBondContact O-NH2 2.93Å; I317-W330 HydrophobicContact CD1-CH2 4.15Å; I317-W330 HydrophobicContact CD1-CZ2 3.92Å; I317-W330 HydrophobicContact CG1-CH2 4.06Å; I317-W330 HydrophobicContact CG1-CZ2 3.86Å
318K95.1Very high93.8Very high155 Ų15564.1 Ų64.167%0.67433%0.332SS*.Hα-helixtrans-64.3-52.5-180-177179.7176.8-177.90110.7A314 Y315 I316 R324A314-K318 VanDerWaalsContact O-CB 3.28Å; A314-K318 WeakPolarHBondContact O-CB 3.41Å; A314-K318 PolarHBondContact O-N 3.49Å; Y315-K318 PolarHBondContact O-N 3.12Å; I316-K318 PolarHBondContact O-N 3.01Å; K318-R324 PolarHBondContact O-NH2 2.77Å
319N94.4Very high93.6Very high65 Ų6565.4 Ų65.435%0.34834%0.343SS..Hα-helixtrans-88.6-21-169.7-56.4-39.2000114.2Y315Y315-N319 WeakPolarHBondContact CD1-ND2 3.09Å; Y315-N319 WeakPolarHBondContact CD2-ND2 3.21Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.46Å; Y315-N319 WeakPolarHBondContact CE2-ND2 3.44Å; Y315-N319 PolarHBondContact O-N 2.71Å; Y315-N319 PolarHBondContact O-ND2 2.94Å
320Y94.1Very high93.5Very high47 Ų4763.3 Ų63.318%0.18433%0.332CS..  trans-129.586-178.1-59.7-64.4000110.8P287 Y289 L294 Q297 I316 Y322 Y323P287-Y320 HydrophobicContact CB-CD1 3.67Å; P287-Y320 HydrophobicContact CB-CE1 3.84Å; P287-Y320 HydrophobicContact CB-CG 4.23Å; P287-Y320 HydrophobicContact CG-CD1 3.86Å; P287-Y320 HydrophobicContact CG-CD2 4.48Å; P287-Y320 HydrophobicContact CG-CE1 4.41Å; P287-Y320 HydrophobicContact CG-CG 3.9Å; Y289-Y320 HydrophobicContact CD2-CE1 4.33Å; Y289-Y320 AromaticContact CD2-CZ 3.94Å; Y289-Y320 HydrophobicContact CE2-CE1 4.32Å; Y289-Y320 WeakPolarHBondContact CE2-OH 3.25Å; L294-Y320 HydrophobicContact CD2-CD2 3.61Å; L294-Y320 HydrophobicContact CD2-CE2 3.29Å; Q297-Y320 PolarHBondContact OE1-OH 2.89Å; Q297-Y320 VanDerWaalsContact OE1-OH 3.11Å; I316-Y320 WeakPolarHBondContact O-CB 3.37Å; I316-Y320 PolarHBondContact O-N 2.81Å; Y320-Y322 PolarHBondContact O-N 3.48Å; Y320-Y323 PolarHBondContact O-N 2.84Å
321P92.1Very high93.5Very high38 Ų3861.4 Ų61.425%0.24731%0.313CS..THydrogen-bonded Turntrans-55.1-28-173.4-27.335.4000115.1D283 Y323 R324D283-P321 HydrophobicContact CB-CG 4.43Å; P321-Y323 PolarHBondContact O-N 2.91Å; P321-Y323 VanDerWaalsContact O-N 3.09Å; P321-R324 VanDerWaalsContact O-CB 3.23Å; P321-R324 WeakPolarHBondContact O-CB 3.37Å; P321-R324 WeakPolarHBondContact O-CG 3.35Å; P321-R324 PolarHBondContact O-N 2.89Å
322Y92.6Very high93.5Very high58 Ų5864.2 Ų64.223%0.22732%0.324CS..Hα-helixtrans-41.9-40169.3172.1-102.2000114.5D283 K284 K286 Y320 R324 C326D283-Y322 PolarHBondContact O-N 2.87Å; K284-Y322 WeakPolarHBondContact O-CD2 3.48Å; K286-Y322 HydrophobicContact CB-CD1 4.15Å; K286-Y322 HydrophobicContact CB-CD2 4.35Å; K286-Y322 HydrophobicContact CB-CE1 3.81Å; K286-Y322 HydrophobicContact CB-CE2 4.02Å; K286-Y322 HydrophobicContact CB-CG 4.41Å; K286-Y322 HydrophobicContact CD-CE1 3.97Å; K286-Y322 HydrophobicContact CG-CD1 4.14Å; K286-Y322 HydrophobicContact CG-CE1 3.61Å; Y320-Y322 PolarHBondContact O-N 3.48Å; Y322-R324 VanDerWaalsContact C-N 3.25Å; Y322-R324 PolarHBondContact O-N 3.25Å; Y322-C326 PolarHBondContact O-N 2.79Å
323Y94Very high93.4Very high5 Ų565 Ų652%0.0233%0.33CS..Hα-helixtrans-78.8-1.8-178.1-67.8-70.7000114.6P287 Y291 L294 I316 Y320 P321 W330P287-Y323 HydrophobicContact CG-CE2 3.7Å; Y291-Y323 HydrophobicContact CE1-CE1 4.16Å; L294-Y323 HydrophobicContact CD1-CE2 3.97Å; I316-Y323 HydrophobicContact CG2-CD2 3.37Å; I316-Y323 HydrophobicContact CG2-CE2 3.86Å; I316-Y323 HydrophobicContact CG2-CG 3.8Å; Y320-Y323 PolarHBondContact O-N 2.84Å; P321-Y323 PolarHBondContact O-N 2.91Å; P321-Y323 VanDerWaalsContact O-N 3.09Å; Y323-W330 HydrophobicContact CD1-CB 4.04Å; Y323-W330 AromaticContact CD1-CD1 3.71Å; Y323-W330 AromaticContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CE3 4.38Å; Y323-W330 AromaticContact CD1-CG 3.61Å; Y323-W330 HydrophobicContact CD1-CG 3.61Å; Y323-W330 AromaticContact CD1-NE1 3.98Å; Y323-W330 HydrophobicContact CE1-CB 4.05Å; Y323-W330 HydrophobicContact CE1-CD2 4.48Å; Y323-W330 HydrophobicContact CE1-CG 4.13Å; Y323-W330 HydrophobicContact CG-CD2 4.36Å; Y323-W330 PolarHBondContact O-NE1 3.17Å; Y323-W330 VanDerWaalsContact O-NE1 3.11Å
324R91.7Very high93.5Very high145 Ų14563.6 Ų63.655%0.54733%0.325SS..Hα-helixtrans-78.6-37.8174.2-62174.1-166.8172.99112.5I317 K318 P321 Y322I317-R324 HydrophobicContact CG2-CG 3.92Å; I317-R324 VanDerWaalsContact O-CZ 3.31Å; I317-R324 PolarHBondContact O-NE 2.95Å; I317-R324 PolarHBondContact O-NH2 2.93Å; K318-R324 PolarHBondContact O-NH2 2.77Å; P321-R324 VanDerWaalsContact O-CB 3.23Å; P321-R324 WeakPolarHBondContact O-CB 3.37Å; P321-R324 WeakPolarHBondContact O-CG 3.35Å; P321-R324 PolarHBondContact O-N 2.89Å; Y322-R324 VanDerWaalsContact C-N 3.25Å; Y322-R324 PolarHBondContact O-N 3.25Å
325T86.5Confident93.5Very high133 Ų13365.6 Ų65.682%0.81632%0.32SS*.Hα-helixtrans-101-10.2-175.252.80000113.5
326C82.5Confident93.5Very high42 Ų4266.9 Ų66.928%0.28433%0.328SS..SBendtrans-84.9147.4175.8-173.50000111.3Y322Y322-C326 PolarHBondContact O-N 2.79Å
327D87.3Confident93.5Very high126 Ų12668.2 Ų68.267%0.67433%0.334SS*.  trans-51.2151.2178.4-68.6-64.5000113.8S329 W330D327-S329 PolarHBondContact O-N 3.16Å; D327-S329 PolarHBondContact O-OG 2.71Å; D327-W330 PolarHBondContact O-N 2.74Å
328K91.8Very high93.6Very high168 Ų16865.6 Ų65.673%0.7332%0.321SS*.THydrogen-bonded Turntrans-64.63.2178.8-60.8174.8-175170.70113.9W330 Q331K328-W330 VanDerWaalsContact C-N 3.27Å; K328-W330 PolarHBondContact O-N 2.77Å; K328-Q331 WeakPolarHBondContact O-CB 3.32Å; K328-Q331 PolarHBondContact O-N 2.96Å; K328-Q331 VanDerWaalsContact O-N 3.15Å
329S92.7Very high93.6Very high56 Ų5662.7 Ų62.739%0.39232%0.32SS..Hα-helixtrans-56.4-37.8172.3590000112.4D327 Q331 N332 S333D327-S329 PolarHBondContact O-N 3.16Å; D327-S329 PolarHBondContact O-OG 2.71Å; S329-Q331 PolarHBondContact O-N 3.36Å; S329-N332 WeakPolarHBondContact O-CA 3.42Å; S329-N332 VanDerWaalsContact O-CB 3.28Å; S329-N332 WeakPolarHBondContact O-CB 3.33Å; S329-N332 PolarHBondContact O-N 3.35Å; S329-S333 PolarHBondContact O-N 3.34Å
330W95.2Very high93.6Very high5 Ų564.4 Ų64.42%0.01933%0.329CS..Hα-helixtrans-61.7-30.2177.669.3-101.9000112.8Y291 Y313 I316 I317 Y323 D327 K328 N332 S333 I334Y291-W330 HydrophobicContact CE1-CB 4.33Å; Y313-W330 HydrophobicContact CD1-CH2 4.15Å; Y313-W330 AromaticContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CG-CH2 4.4Å; I316-W330 HydrophobicContact CB-CH2 4.44Å; I316-W330 HydrophobicContact CB-CZ3 4.3Å; I316-W330 HydrophobicContact CD1-CZ3 4.29Å; I316-W330 HydrophobicContact CG2-CH2 4.26Å; I316-W330 HydrophobicContact CG2-CZ3 4.04Å; I317-W330 HydrophobicContact CD1-CH2 4.15Å; I317-W330 HydrophobicContact CD1-CZ2 3.92Å; I317-W330 HydrophobicContact CG1-CH2 4.06Å; I317-W330 HydrophobicContact CG1-CZ2 3.86Å; Y323-W330 HydrophobicContact CD1-CB 4.04Å; Y323-W330 AromaticContact CD1-CD1 3.71Å; Y323-W330 AromaticContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CE3 4.38Å; Y323-W330 AromaticContact CD1-CG 3.61Å; Y323-W330 HydrophobicContact CD1-CG 3.61Å; Y323-W330 AromaticContact CD1-NE1 3.98Å; Y323-W330 HydrophobicContact CE1-CB 4.05Å; Y323-W330 HydrophobicContact CE1-CD2 4.48Å; Y323-W330 HydrophobicContact CE1-CG 4.13Å; Y323-W330 HydrophobicContact CG-CD2 4.36Å; Y323-W330 PolarHBondContact O-NE1 3.17Å; Y323-W330 VanDerWaalsContact O-NE1 3.11Å; D327-W330 PolarHBondContact O-N 2.74Å; K328-W330 VanDerWaalsContact C-N 3.27Å; K328-W330 PolarHBondContact O-N 2.77Å; W330-N332 PolarHBondContact O-N 3.09Å; W330-S333 WeakPolarHBondContact CA-OG 3.46Å; W330-S333 PolarHBondContact O-N 3.16Å; W330-S333 PolarHBondContact O-OG 3.27Å; W330-I334 HydrophobicContact CE3-CG1 3.92Å; W330-I334 HydrophobicContact CZ3-CG1 4.19Å; W330-I334 WeakPolarHBondContact O-CG1 3.27Å; W330-I334 PolarHBondContact O-N 3.16Å
331Q96.8Very high93.6Very high40 Ų4063 Ų6319%0.18733%0.325CS..Hα-helixtrans-66.7-27.6174.9-59.8-175.7-3.700111.7Y313 K328 S329 R335Y313-Q331 HydrophobicContact CD1-CB 4.3Å; Y313-Q331 HydrophobicContact CD1-CG 4Å; Y313-Q331 HydrophobicContact CE1-CB 3.67Å; Y313-Q331 HydrophobicContact CE1-CG 3.89Å; Y313-Q331 HydrophobicContact CE2-CB 4.48Å; Y313-Q331 HydrophobicContact CG-CG 4.37Å; K328-Q331 WeakPolarHBondContact O-CB 3.32Å; K328-Q331 PolarHBondContact O-N 2.96Å; K328-Q331 VanDerWaalsContact O-N 3.15Å; S329-Q331 PolarHBondContact O-N 3.36Å; Q331-R335 WeakPolarHBondContact O-CG 3.42Å; Q331-R335 PolarHBondContact O-N 3.38Å; Q331-R335 PolarHBondContact O-NH1 3.07Å; Q331-R335 VanDerWaalsContact O-NH1 3.15Å
332N96.5Very high93.7Very high76 Ų7670.5 Ų70.541%0.40635%0.348SS..Hα-helixtrans-69.8-45.7171.7-159.258.4000111.4S329 W330 I334 R335 H336S329-N332 WeakPolarHBondContact O-CA 3.42Å; S329-N332 VanDerWaalsContact O-CB 3.28Å; S329-N332 WeakPolarHBondContact O-CB 3.33Å; S329-N332 PolarHBondContact O-N 3.35Å; W330-N332 PolarHBondContact O-N 3.09Å; N332-I334 PolarHBondContact O-N 2.78Å; N332-R335 PolarHBondContact O-N 3.08Å; N332-R335 VanDerWaalsContact O-N 3.14Å; N332-R335 PolarHBondContact OD1-NH2 2.68Å; N332-H336 WeakPolarHBondContact O-CB 3.39Å; N332-H336 PolarHBondContact O-N 3.11Å
333S96.7Very high93.8Very high17 Ų1769.7 Ų69.712%0.11935%0.345CS..Hα-helixtrans-62.5-30.9176.353.90000113.1Y291 S329 W330 N337Y291-S333 WeakPolarHBondContact CE2-OG 3.29Å; S329-S333 PolarHBondContact O-N 3.34Å; W330-S333 WeakPolarHBondContact CA-OG 3.46Å; W330-S333 PolarHBondContact O-N 3.16Å; W330-S333 PolarHBondContact O-OG 3.27Å; S333-N337 WeakPolarHBondContact O-CB 2.99Å; S333-N337 PolarHBondContact O-N 3.11Å; S333-N337 PolarHBondContact O-ND2 3.11Å
334I97.5Very high93.9Very high0 Ų069.9 Ų69.90%035%0.346CS..Hα-helixtrans-64.8-49.7171.4-69.3-70.5000111.2Y291 I295 L309 I312 Y313 I316 W330 N332 H336 N337 L338Y291-I334 HydrophobicContact CD1-CD1 3.98Å; Y291-I334 HydrophobicContact CD1-CG1 4.43Å; Y291-I334 HydrophobicContact CG-CD1 4.4Å; I295-I334 HydrophobicContact CD1-CD1 4.03Å; I295-I334 HydrophobicContact CD1-CG2 4.3Å; I295-I334 HydrophobicContact CG1-CD1 3.83Å; I295-I334 HydrophobicContact CG1-CG2 4.33Å; L309-I334 HydrophobicContact CD1-CG2 4.24Å; I312-I334 HydrophobicContact CG2-CG2 3.95Å; Y313-I334 HydrophobicContact CD1-CG2 4.3Å; Y313-I334 HydrophobicContact CE1-CB 4.16Å; Y313-I334 HydrophobicContact CE1-CG2 3.88Å; I316-I334 HydrophobicContact CD1-CD1 3.5Å; I316-I334 VanDerWaalsContact CD1-CD1 3.5Å; I316-I334 HydrophobicContact CD1-CG1 4.17Å; W330-I334 HydrophobicContact CE3-CG1 3.92Å; W330-I334 HydrophobicContact CZ3-CG1 4.19Å; W330-I334 WeakPolarHBondContact O-CG1 3.27Å; W330-I334 PolarHBondContact O-N 3.16Å; N332-I334 PolarHBondContact O-N 2.78Å; I334-H336 VanDerWaalsContact C-N 3.33Å; I334-H336 PolarHBondContact O-N 2.72Å; I334-N337 PolarHBondContact O-N 2.87Å; I334-L338 HydrophobicContact CG2-CD1 4.18Å; I334-L338 WeakPolarHBondContact O-CG 3.34Å; I334-L338 PolarHBondContact O-N 2.94Å
335R98Very high94.1Very high99 Ų9965.5 Ų65.537%0.37434%0.335SS..Hα-helixtrans-58-45.6176.4-69.3-176.9-59.8-95.613.1111.9L309 Y313 Q331 N332 N337 L338 S339L309-R335 HydrophobicContact CD1-CG 4.04Å; L309-R335 HydrophobicContact CD2-CG 3.96Å; Y313-R335 WeakPolarHBondContact OH-CG 3.21Å; Y313-R335 PolarHBondContact OH-NH1 2.84Å; Q331-R335 WeakPolarHBondContact O-CG 3.42Å; Q331-R335 PolarHBondContact O-N 3.38Å; Q331-R335 PolarHBondContact O-NH1 3.07Å; Q331-R335 VanDerWaalsContact O-NH1 3.15Å; N332-R335 PolarHBondContact O-N 3.08Å; N332-R335 VanDerWaalsContact O-N 3.14Å; N332-R335 PolarHBondContact OD1-NH2 2.68Å; R335-N337 PolarHBondContact O-N 3.17Å; R335-L338 PolarHBondContact O-N 2.86Å; R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 VanDerWaalsContact O-N 3.14Å; R335-S339 PolarHBondContact O-OG 3.14Å
336H96.6Very high94.6Very high72 Ų7265.4 Ų65.433%0.33332%0.323SS..Hα-helixtrans-58.5-45.5175.2165.491.2000112N332 I334 L338 S339 L340N332-H336 WeakPolarHBondContact O-CB 3.39Å; N332-H336 PolarHBondContact O-N 3.11Å; I334-H336 VanDerWaalsContact C-N 3.33Å; I334-H336 PolarHBondContact O-N 2.72Å; H336-L338 VanDerWaalsContact C-N 3.35Å; H336-L338 PolarHBondContact O-N 2.83Å; H336-S339 WeakPolarHBondContact CA-OG 3.41Å; H336-S339 PolarHBondContact O-N 2.86Å; H336-S339 PolarHBondContact O-OG 2.85Å; H336-L340 WeakPolarHBondContact NE2-CD1 3.33Å; H336-L340 VanDerWaalsContact O-CB 3.26Å; H336-L340 WeakPolarHBondContact O-CB 3.45Å; H336-L340 PolarHBondContact O-N 2.9Å
337N97.1Very high95.1Very high27 Ų2766 Ų6614%0.14432%0.323CS..Hα-helixtrans-64.6-36.6178.6-88.2-101.8000112.7I295 S333 I334 R335 S339 L340 N341 F344I295-N337 HydrophobicContact CD1-CB 3.78Å; S333-N337 WeakPolarHBondContact O-CB 2.99Å; S333-N337 PolarHBondContact O-N 3.11Å; S333-N337 PolarHBondContact O-ND2 3.11Å; I334-N337 PolarHBondContact O-N 2.87Å; R335-N337 PolarHBondContact O-N 3.17Å; N337-S339 VanDerWaalsContact C-N 3.34Å; N337-L340 PolarHBondContact O-N 2.97Å; N337-N341 PolarHBondContact O-N 3.04Å; N337-N341 PolarHBondContact O-ND2 2.84Å; N337-F344 WeakPolarHBondContact O-CD2 3.38Å
338L96.8Very high95.5Very high4 Ų464.7 Ų64.72%0.02132%0.321CS..Hα-helixtrans-64.2-36174-71.4167.4000112.5I295 L309 I312 I334 R335 H336 F344 W360I295-L338 HydrophobicContact CD1-CD2 4.13Å; I295-L338 HydrophobicContact CD1-CG 4.01Å; I295-L338 HydrophobicContact CG2-CD2 3.68Å; L309-L338 HydrophobicContact CD1-CD1 3.63Å; I312-L338 HydrophobicContact CD1-CD1 4.05Å; I312-L338 HydrophobicContact CD1-CD2 4.14Å; I334-L338 HydrophobicContact CG2-CD1 4.18Å; I334-L338 WeakPolarHBondContact O-CG 3.34Å; I334-L338 PolarHBondContact O-N 2.94Å; R335-L338 PolarHBondContact O-N 2.86Å; H336-L338 VanDerWaalsContact C-N 3.35Å; H336-L338 PolarHBondContact O-N 2.83Å; L338-F344 HydrophobicContact CD2-CB 4.05Å; L338-F344 HydrophobicContact CD2-CD1 4.42Å; L338-F344 HydrophobicContact CD2-CD2 4.11Å; L338-F344 HydrophobicContact CD2-CG 3.95Å; L338-W360 HydrophobicContact CB-CD2 4.32Å; L338-W360 HydrophobicContact CB-CE3 4.17Å; L338-W360 HydrophobicContact CB-CH2 3.93Å; L338-W360 HydrophobicContact CB-CZ2 4.1Å; L338-W360 HydrophobicContact CB-CZ3 3.97Å; L338-W360 HydrophobicContact CD1-CD2 4.23Å; L338-W360 HydrophobicContact CD1-CG 4.36Å; L338-W360 HydrophobicContact CD1-CZ2 4.49Å; L338-W360 HydrophobicContact CD2-CB 4.24Å; L338-W360 HydrophobicContact CD2-CD2 3.87Å; L338-W360 HydrophobicContact CD2-CE3 3.92Å; L338-W360 HydrophobicContact CD2-CG 4.02Å; L338-W360 HydrophobicContact CG-CD2 4.37Å; L338-W360 WeakPolarHBondContact O-CZ3 3.48Å
339S95.5Very high95.5Very high94 Ų9459.9 Ų59.966%0.65730%0.299SS*.Hα-helixtrans-82.7-26.3175.949.40000114.9R335 H336 N337R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 VanDerWaalsContact O-N 3.14Å; R335-S339 PolarHBondContact O-OG 3.14Å; H336-S339 WeakPolarHBondContact CA-OG 3.41Å; H336-S339 PolarHBondContact O-N 2.86Å; H336-S339 PolarHBondContact O-OG 2.85Å; N337-S339 VanDerWaalsContact C-N 3.34Å
340L93.6Very high95.4Very high101 Ų10160.5 Ų60.553%0.52930%0.303SS..Hα-helixtrans-79.8-40.9-176.2-178.6153.2000112.3H336 N337H336-L340 WeakPolarHBondContact NE2-CD1 3.33Å; H336-L340 VanDerWaalsContact O-CB 3.26Å; H336-L340 WeakPolarHBondContact O-CB 3.45Å; H336-L340 PolarHBondContact O-N 2.9Å; N337-L340 PolarHBondContact O-N 2.97Å
341N94.3Very high95.1Very high17 Ų1769.5 Ų69.59%0.09135%0.345CS..  trans-94112.9-171.1-65.9-81.4000111.1N337 Y343 F344N337-N341 PolarHBondContact O-N 3.04Å; N337-N341 PolarHBondContact O-ND2 2.84Å; N341-Y343 HydrophobicContact CB-CD1 4.04Å; N341-Y343 HydrophobicContact CB-CD2 4.29Å; N341-Y343 HydrophobicContact CB-CE1 3.59Å; N341-Y343 HydrophobicContact CB-CE2 3.89Å; N341-Y343 HydrophobicContact CB-CG 4.36Å; N341-Y343 VanDerWaalsContact CB-CZ 3.5Å; N341-Y343 VanDerWaalsContact CG-OH 3.24Å; N341-Y343 PolarHBondContact O-N 3.43Å; N341-Y343 WeakPolarHBondContact OD1-CE1 3.31Å; N341-Y343 PolarHBondContact OD1-OH 2.97Å; N341-F344 HydrophobicContact CB-CD2 3.73Å; N341-F344 HydrophobicContact CB-CE2 3.95Å; N341-F344 PolarHBondContact O-N 3.39Å
342R93.5Very high94.7Very high196 Ų19674.2 Ų74.274%0.7437%0.372SS*.THydrogen-bonded Turntrans-56.9-19.9-178.7-66.9-177.1-179.5163.21115.1F344 L430R342-F344 VanDerWaalsContact C-N 3.33Å; R342-L430 PolarHBondContact NH1-O 3.45Å
343Y94.9Very high94.1Very high41 Ų4176.3 Ų76.316%0.16138%0.379CS..THydrogen-bonded Turntrans-81.2-6.6178.554.8-101.4000114.6A292 N341 D363 C366 L370A292-Y343 WeakPolarHBondContact CB-OH 3.42Å; N341-Y343 HydrophobicContact CB-CD1 4.04Å; N341-Y343 HydrophobicContact CB-CD2 4.29Å; N341-Y343 HydrophobicContact CB-CE1 3.59Å; N341-Y343 HydrophobicContact CB-CE2 3.89Å; N341-Y343 HydrophobicContact CB-CG 4.36Å; N341-Y343 VanDerWaalsContact CB-CZ 3.5Å; N341-Y343 VanDerWaalsContact CG-OH 3.24Å; N341-Y343 PolarHBondContact O-N 3.43Å; N341-Y343 WeakPolarHBondContact OD1-CE1 3.31Å; N341-Y343 PolarHBondContact OD1-OH 2.97Å; Y343-D363 PolarHBondContact O-N 2.89Å; Y343-C366 WeakPolarHBondContact CB-SG 3.44Å; Y343-L370 HydrophobicContact CD2-CD1 3.43Å; Y343-L370 VanDerWaalsContact CD2-CD1 3.43Å; Y343-L370 HydrophobicContact CD2-CD2 3.99Å; Y343-L370 HydrophobicContact CD2-CG 4.39Å; Y343-L370 HydrophobicContact CE1-CD2 4.5Å; Y343-L370 HydrophobicContact CE2-CD1 4.11Å; Y343-L370 HydrophobicContact CE2-CD2 3.88Å; Y343-L370 HydrophobicContact CG-CD1 3.75Å; Y343-L370 HydrophobicContact CG-CD2 4.34Å
344F96.2Very high93.6Very high9 Ų981.7 Ų81.74%0.03941%0.414CS..EExtended strand (participates in β ladder)trans-91.8104.8166.1-63.3-50.2000109.5A292 I295 V296 I299 N337 L338 N341 R342 W360 L362A292-F344 HydrophobicContact CB-CE2 4.4Å; A292-F344 HydrophobicContact CB-CZ 4.36Å; I295-F344 HydrophobicContact CB-CE1 3.94Å; I295-F344 HydrophobicContact CB-CE2 4.31Å; I295-F344 HydrophobicContact CB-CZ 3.66Å; I295-F344 HydrophobicContact CD1-CE2 4Å; I295-F344 HydrophobicContact CD1-CZ 4.21Å; I295-F344 HydrophobicContact CG2-CD1 3.78Å; I295-F344 HydrophobicContact CG2-CE1 3.31Å; I295-F344 HydrophobicContact CG2-CE2 4.12Å; I295-F344 HydrophobicContact CG2-CG 4.38Å; I295-F344 HydrophobicContact CG2-CZ 3.5Å; V296-F344 HydrophobicContact CG2-CE1 3.87Å; V296-F344 HydrophobicContact CG2-CZ 4.1Å; I299-F344 HydrophobicContact CD1-CD1 4.13Å; I299-F344 HydrophobicContact CD1-CE1 4.4Å; N337-F344 WeakPolarHBondContact O-CD2 3.38Å; L338-F344 HydrophobicContact CD2-CB 4.05Å; L338-F344 HydrophobicContact CD2-CD1 4.42Å; L338-F344 HydrophobicContact CD2-CD2 4.11Å; L338-F344 HydrophobicContact CD2-CG 3.95Å; N341-F344 HydrophobicContact CB-CD2 3.73Å; N341-F344 HydrophobicContact CB-CE2 3.95Å; N341-F344 PolarHBondContact O-N 3.39Å; R342-F344 VanDerWaalsContact C-N 3.33Å; F344-W360 HydrophobicContact CB-CE3 4.21Å; F344-W360 HydrophobicContact CB-CZ3 4.5Å; F344-L362 HydrophobicContact CD1-CD2 3.85Å; F344-L362 HydrophobicContact CE1-CD2 3.74Å
345V96Very high93.2Very high52 Ų5283.4 Ų83.432%0.31543%0.431SS..EExtended strand (participates in β ladder)trans-88.7128.9-177.5-66.90000110.7I347 W360 G361 D363V345-I347 HydrophobicContact CG2-CD1 4.32Å; V345-I347 HydrophobicContact CG2-CG1 4.21Å; V345-I347 PolarHBondContact O-N 2.67Å; V345-W360 WeakPolarHBondContact O-CA 3.45Å; V345-G361 PolarHBondContact N-O 3.35Å; V345-G361 PolarHBondContact O-N 2.84Å; V345-D363 HydrophobicContact CG1-CB 4.09Å
346K96.6Very high92.8Very high131 Ų13188 Ų8857%0.5745%0.454SS*.EExtended strand (participates in β ladder)trans-83.5105.1176.4-179.5-169169.2-166.30109.3N358 W360K346-N358 WeakPolarHBondContact CE-ND2 3.49Å; K346-N358 VanDerWaalsContact CE-OD1 3.27Å; K346-N358 WeakPolarHBondContact CE-OD1 3.21Å; K346-N358 HydrophobicContact CG-CB 3.9Å; K346-W360 HydrophobicContact CB-CE3 4.15Å; K346-W360 HydrophobicContact CB-CH2 4.09Å; K346-W360 HydrophobicContact CB-CZ3 3.86Å; K346-W360 HydrophobicContact CG-CH2 4.41Å; K346-W360 HydrophobicContact CG-CZ2 4.46Å
347I94.7Very high92.6Very high55 Ų5586.8 Ų86.828%0.28246%0.461SS..EExtended strand (participates in β ladder)trans-92.9122.1-177.2-61.4168.2000109Q306 V345 F359Q306-I347 HydrophobicContact CB-CD1 4.13Å; V345-I347 HydrophobicContact CG2-CD1 4.32Å; V345-I347 HydrophobicContact CG2-CG1 4.21Å; V345-I347 PolarHBondContact O-N 2.67Å; I347-F359 HydrophobicContact CB-CB 3.95Å; I347-F359 HydrophobicContact CG2-CB 4.31Å; I347-F359 PolarHBondContact N-O 3.46Å; I347-F359 PolarHBondContact O-N 2.83Å
348P94.4Very high92.5Very high98 Ų9888.1 Ų88.164%0.63647%0.468SS*.PPolyproline II helixtrans-67.3150.6174.930.1-34.5000110.7
349R93.1Very high92.5Very high68 Ų6889.8 Ų89.826%0.25748%0.475SS..PPolyproline II helixtrans-71.4150.9172.2-67.4-175.3176.9-96.32.9110.8G355 K356 G357 F359R349-G355 VanDerWaalsContact CD-O 3.32Å; R349-G355 WeakPolarHBondContact CD-O 3.16Å; R349-G355 VanDerWaalsContact NE-C 3.35Å; R349-G355 PolarHBondContact NE-O 2.86Å; R349-G355 VanDerWaalsContact NE-O 3.09Å; R349-K356 PolarHBondContact NH2-O 3.24Å; R349-G357 WeakPolarHBondContact CD-O 3.38Å; R349-G357 PolarHBondContact NE-O 2.85Å; R349-F359 HydrophobicContact CG-CD2 3.96Å; R349-F359 HydrophobicContact CG-CE2 3.91Å
350S90.1Very high92.6Very high68 Ų6887.3 Ų87.348%0.47645%0.451SS..PPolyproline II helixtrans-63.9150.8162.154.10000110.4N352 E353S350-N352 PolarHBondContact O-N 2.91Å; S350-E353 PolarHBondContact O-N 3.09Å
351Q88.3Confident92.7Very high194 Ų19482.6 Ų82.691%0.90743%0.427SS*.THydrogen-bonded Turntrans-63.9-22.6178.3-175.5170.8-11.500112.8E353Q351-E353 VanDerWaalsContact C-N 3.32Å; Q351-E353 PolarHBondContact O-N 3.4Å
352N87.7Confident92.8Very high140 Ų14082.6 Ų82.675%0.74943%0.427SS*.THydrogen-bonded Turntrans-74.4-19.8-178.4-56.86.2000113.1S350 P354S350-N352 PolarHBondContact O-N 2.91Å; N352-P354 WeakPolarHBondContact O-CD 3.45Å
353E85.5Confident92.8Very high119 Ų11975.4 Ų75.456%0.55640%0.403SS*.SBendtrans-114.282.4-171.5-76.6-62.3144.300111.8S350 Q351 G355S350-E353 PolarHBondContact O-N 3.09Å; Q351-E353 VanDerWaalsContact C-N 3.32Å; Q351-E353 PolarHBondContact O-N 3.4Å; E353-G355 PolarHBondContact O-N 3.06Å
354P84.8Confident92.7Very high131 Ų13178.1 Ų78.185%0.85143%0.428SS*.  trans-69.190.3-176.829-35.9000111.6N352N352-P354 WeakPolarHBondContact O-CD 3.45Å
355G89.3Confident92.4Very high36 Ų3683.3 Ų83.337%0.37146%0.46SS..  trans-134.3153.7-175.300000114.5R349 E353R349-G355 VanDerWaalsContact CD-O 3.32Å; R349-G355 WeakPolarHBondContact CD-O 3.16Å; R349-G355 VanDerWaalsContact NE-C 3.35Å; R349-G355 PolarHBondContact NE-O 2.86Å; R349-G355 VanDerWaalsContact NE-O 3.09Å; E353-G355 PolarHBondContact O-N 3.06Å
356K90.4Very high92.1Very high196 Ų19681.6 Ų81.685%0.85245%0.45SS*.SBendtrans-69.1134.1180-171.1170.6-176.1170.80111.6R349R349-K356 PolarHBondContact NH2-O 3.24Å
357G92.3Very high91.9Very high46 Ų4676.6 Ų76.647%0.47443%0.429SS..SBendtrans70.6-171.4174.500000114.2R349R349-G357 WeakPolarHBondContact CD-O 3.38Å; R349-G357 PolarHBondContact NE-O 2.85Å
358N95.3Very high91.7Very high55 Ų5577.4 Ų77.429%0.29444%0.444SS..  trans-107.1162.6-178.5-66.1-109.4000109.8K346K346-N358 WeakPolarHBondContact CE-ND2 3.49Å; K346-N358 VanDerWaalsContact CE-OD1 3.27Å; K346-N358 WeakPolarHBondContact CE-OD1 3.21Å; K346-N358 HydrophobicContact CG-CB 3.9Å
359F96.4Very high91.5Very high38 Ų3878.6 Ų78.617%0.16744%0.439CS..EExtended strand (participates in β ladder)trans-78.7154.5165.1-71.9-79.1000109.9Q306 T308 I347 R349Q306-F359 HydrophobicContact CB-CB 4.29Å; Q306-F359 HydrophobicContact CB-CD1 4.44Å; Q306-F359 HydrophobicContact CG-CD1 4.05Å; Q306-F359 HydrophobicContact CG-CG 4.41Å; T308-F359 HydrophobicContact CG2-CD1 3.77Å; T308-F359 HydrophobicContact CG2-CE1 3.71Å; T308-F359 HydrophobicContact CG2-CZ 4.43Å; I347-F359 HydrophobicContact CB-CB 3.95Å; I347-F359 HydrophobicContact CG2-CB 4.31Å; I347-F359 PolarHBondContact N-O 3.46Å; I347-F359 PolarHBondContact O-N 2.83Å; R349-F359 HydrophobicContact CG-CD2 3.96Å; R349-F359 HydrophobicContact CG-CE2 3.91Å
360W97.3Very high91.4Very high43 Ų4376.1 Ų76.116%0.16343%0.431CS..EExtended strand (participates in β ladder)trans-124.3122.2171.8-67.492.2000108.7I299 Q306 L307 I312 L338 F344 V345 K346I299-W360 HydrophobicContact CD1-CB 4.38Å; Q306-W360 CarbonylContact C-O 3.6Å; Q306-W360 WeakPolarHBondContact CA-O 3.49Å; L307-W360 PolarHBondContact N-O 2.87Å; L307-W360 PolarHBondContact O-N 2.95Å; I312-W360 HydrophobicContact CD1-CB 4.31Å; L338-W360 HydrophobicContact CB-CD2 4.32Å; L338-W360 HydrophobicContact CB-CE3 4.17Å; L338-W360 HydrophobicContact CB-CH2 3.93Å; L338-W360 HydrophobicContact CB-CZ2 4.1Å; L338-W360 HydrophobicContact CB-CZ3 3.97Å; L338-W360 HydrophobicContact CD1-CD2 4.23Å; L338-W360 HydrophobicContact CD1-CG 4.36Å; L338-W360 HydrophobicContact CD1-CZ2 4.49Å; L338-W360 HydrophobicContact CD2-CB 4.24Å; L338-W360 HydrophobicContact CD2-CD2 3.87Å; L338-W360 HydrophobicContact CD2-CE3 3.92Å; L338-W360 HydrophobicContact CD2-CG 4.02Å; L338-W360 HydrophobicContact CG-CD2 4.37Å; L338-W360 WeakPolarHBondContact O-CZ3 3.48Å; F344-W360 HydrophobicContact CB-CE3 4.21Å; F344-W360 HydrophobicContact CB-CZ3 4.5Å; V345-W360 WeakPolarHBondContact O-CA 3.45Å; K346-W360 HydrophobicContact CB-CE3 4.15Å; K346-W360 HydrophobicContact CB-CH2 4.09Å; K346-W360 HydrophobicContact CB-CZ3 3.86Å; K346-W360 HydrophobicContact CG-CH2 4.41Å; K346-W360 HydrophobicContact CG-CZ2 4.46Å
361G96Very high91.4Very high1 Ų176 Ų761%0.0142%0.424CS..EExtended strand (participates in β ladder)trans-112.6-180174.500000111.9V345V345-G361 PolarHBondContact N-O 3.35Å; V345-G361 PolarHBondContact O-N 2.84Å
362L95.8Very high91.5Very high18 Ų1872 Ų729%0.09441%0.405CS..EExtended strand (participates in β ladder)trans-97.1144.2167.9-61.1172.8000109.4V296 I299 F344 S364 E367 L370V296-L362 HydrophobicContact CG1-CD1 4.07Å; V296-L362 HydrophobicContact CG2-CD2 3.98Å; I299-L362 HydrophobicContact CB-CG 4.37Å; I299-L362 HydrophobicContact CD1-CD2 4.2Å; I299-L362 HydrophobicContact CD1-CG 4.46Å; I299-L362 HydrophobicContact CG2-CD1 4.39Å; I299-L362 HydrophobicContact CG2-CG 3.98Å; F344-L362 HydrophobicContact CD1-CD2 3.85Å; F344-L362 HydrophobicContact CE1-CD2 3.74Å; L362-S364 PolarHBondContact O-N 2.8Å; L362-E367 HydrophobicContact CB-CB 4.31Å; L362-E367 HydrophobicContact CB-CG 3.95Å; L362-E367 HydrophobicContact CD1-CG 3.76Å; L362-L370 HydrophobicContact CD2-CD1 4.22Å
363D94.4Very high91.6Very high45 Ų4568.4 Ų68.424%0.24138%0.383CS..  trans-64.6129.3167.8162.853.9000110.7Y343 V345 V365 C366 E367Y343-D363 PolarHBondContact O-N 2.89Å; V345-D363 HydrophobicContact CG1-CB 4.09Å; D363-V365 VanDerWaalsContact C-N 3.25Å; D363-V365 PolarHBondContact O-N 2.85Å; D363-C366 PolarHBondContact O-N 2.83Å; D363-C366 PolarHBondContact O-SG 2.89Å; D363-C366 PolarHBondContact OD2-SG 3.49Å; D363-E367 PolarHBondContact O-N 2.97Å
364S91.8Very high91.8Very high98 Ų9862.8 Ų62.869%0.68536%0.357SS*.THydrogen-bonded Turntrans-65.9-25.4-171.257.30000113.6L362 C366L362-S364 PolarHBondContact O-N 2.8Å; S364-C366 VanDerWaalsContact C-N 3.31Å; S364-C366 PolarHBondContact O-N 2.78Å
365V91Very high92.1Very high117 Ų11762.6 Ų62.671%0.70934%0.343SS*.THydrogen-bonded Turntrans-71.1-27.7179.2-173.10000111.9D363D363-V365 VanDerWaalsContact C-N 3.25Å; D363-V365 PolarHBondContact O-N 2.85Å
366C89.2Confident92.1Very high17 Ų1767.3 Ų67.312%0.11535%0.349CS..THydrogen-bonded Turntrans-116.2-9.5-177.759.90000115Y343 D363 S364 A368 K369 L370Y343-C366 WeakPolarHBondContact CB-SG 3.44Å; D363-C366 PolarHBondContact O-N 2.83Å; D363-C366 PolarHBondContact O-SG 2.89Å; D363-C366 PolarHBondContact OD2-SG 3.49Å; S364-C366 VanDerWaalsContact C-N 3.31Å; S364-C366 PolarHBondContact O-N 2.78Å; C366-A368 PolarHBondContact O-N 3.43Å; C366-K369 PolarHBondContact O-N 2.82Å; C366-K369 VanDerWaalsContact O-N 3.07Å; C366-L370 HydrophobicContact CB-CD1 4.25Å; C366-L370 HydrophobicContact CB-CG 4.45Å; C366-L370 WeakPolarHBondContact O-CG 3.25Å; C366-L370 PolarHBondContact O-N 3.09Å
367E92Very high91.8Very high26 Ų2664.2 Ų64.212%0.12134%0.338CS..Hα-helixtrans-43.2-55.8-179-165.9-151.7143.700113.5K305 L362 D363 K369 L370 M371K305-E367 WeakPolarHBondContact CD-OE1 3.46Å; K305-E367 WeakPolarHBondContact CE-OE1 3.36Å; K305-E367 IonicContact NZ-OE1 3.59Å; K305-E367 PolarHBondContact NZ-OE1 3.49Å; K305-E367 IonicContact NZ-OE2 2.71Å; K305-E367 PolarHBondContact NZ-OE2 2.8Å; L362-E367 HydrophobicContact CB-CB 4.31Å; L362-E367 HydrophobicContact CB-CG 3.95Å; L362-E367 HydrophobicContact CD1-CG 3.76Å; D363-E367 PolarHBondContact O-N 2.97Å; E367-K369 VanDerWaalsContact C-N 3.32Å; E367-K369 PolarHBondContact O-N 3.37Å; E367-L370 PolarHBondContact O-N 2.6Å; E367-L370 VanDerWaalsContact O-N 3.15Å; E367-M371 HydrophobicContact CG-CE 4.03Å; E367-M371 WeakPolarHBondContact O-CG 3.34Å; E367-M371 PolarHBondContact O-N 3.4Å; E367-M371 WeakPolarHBondContact OE1-CE 3.06Å
368A91.6Very high90.9Very high72 Ų7269.6 Ų69.660%0.59534%0.344SS*.Hα-helixtrans-59.8-39.8-176.600000113C366 E372C366-A368 PolarHBondContact O-N 3.43Å; A368-E372 PolarHBondContact O-N 2.79Å
369K89.9Confident89.7Confident123 Ų12377.8 Ų77.854%0.53537%0.37SS..Hα-helixtrans-68.9-45.5176.5-63.9177-177.7172.70110.3C366 E367 M371 E372 F373C366-K369 PolarHBondContact O-N 2.82Å; C366-K369 VanDerWaalsContact O-N 3.07Å; E367-K369 VanDerWaalsContact C-N 3.32Å; E367-K369 PolarHBondContact O-N 3.37Å; K369-M371 VanDerWaalsContact C-N 3.3Å; K369-M371 PolarHBondContact O-N 2.79Å; K369-E372 WeakPolarHBondContact O-CB 3.4Å; K369-E372 PolarHBondContact O-N 2.7Å; K369-E372 VanDerWaalsContact O-N 3.11Å; K369-F373 WeakPolarHBondContact O-CD2 3.36Å; K369-F373 PolarHBondContact O-N 2.81Å
370L90Very high87.8Confident16 Ų1679.4 Ų79.48%0.08440%0.398CS..Hα-helixtrans-59.6-40.9179-69.9171.2000111.6V296 Y343 L362 C366 E367 F373 A374V296-L370 HydrophobicContact CG1-CB 4.07Å; V296-L370 HydrophobicContact CG2-CB 4.15Å; Y343-L370 HydrophobicContact CD2-CD1 3.43Å; Y343-L370 VanDerWaalsContact CD2-CD1 3.43Å; Y343-L370 HydrophobicContact CD2-CD2 3.99Å; Y343-L370 HydrophobicContact CD2-CG 4.39Å; Y343-L370 HydrophobicContact CE1-CD2 4.5Å; Y343-L370 HydrophobicContact CE2-CD1 4.11Å; Y343-L370 HydrophobicContact CE2-CD2 3.88Å; Y343-L370 HydrophobicContact CG-CD1 3.75Å; Y343-L370 HydrophobicContact CG-CD2 4.34Å; L362-L370 HydrophobicContact CD2-CD1 4.22Å; C366-L370 HydrophobicContact CB-CD1 4.25Å; C366-L370 HydrophobicContact CB-CG 4.45Å; C366-L370 WeakPolarHBondContact O-CG 3.25Å; C366-L370 PolarHBondContact O-N 3.09Å; E367-L370 PolarHBondContact O-N 2.6Å; E367-L370 VanDerWaalsContact O-N 3.15Å; L370-F373 CarbonylContact O-C 3.59Å; L370-F373 PolarHBondContact O-N 2.97Å; L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 2.83Å
371M90.3Very high85.7Confident66 Ų6688.7 Ų88.733%0.32543%0.433SS..Hα-helixtrans-61.1-41.6173.8-71-168.5-67.800112.5V296 S300 E367 K369 F373 A374V296-M371 HydrophobicContact CG1-CG 4.49Å; S300-M371 VanDerWaalsContact OG-CG 3.27Å; S300-M371 WeakPolarHBondContact OG-CG 3.49Å; S300-M371 PolarHBondContact OG-SD 3.2Å; E367-M371 HydrophobicContact CG-CE 4.03Å; E367-M371 WeakPolarHBondContact O-CG 3.34Å; E367-M371 PolarHBondContact O-N 3.4Å; E367-M371 WeakPolarHBondContact OE1-CE 3.06Å; K369-M371 VanDerWaalsContact C-N 3.3Å; K369-M371 PolarHBondContact O-N 2.79Å; M371-F373 VanDerWaalsContact C-N 3.33Å; M371-F373 PolarHBondContact O-N 3.26Å; M371-A374 VanDerWaalsContact O-CB 3.29Å; M371-A374 WeakPolarHBondContact O-CB 3.27Å; M371-A374 PolarHBondContact O-N 2.88Å
372E89.8Confident82.8Confident108 Ų10897 Ų9751%0.50547%0.471SS..Hα-helixtrans-63.3-37.6175.1-157-157.4150.200112.5A368 K369 R376A368-E372 PolarHBondContact O-N 2.79Å; K369-E372 WeakPolarHBondContact O-CB 3.4Å; K369-E372 PolarHBondContact O-N 2.7Å; K369-E372 VanDerWaalsContact O-N 3.11Å; E372-R376 WeakPolarHBondContact O-CG 3.49Å; E372-R376 IonicContact OE1-CZ 2.72Å; E372-R376 IonicContact OE1-NE 2.76Å; E372-R376 IonicContact OE1-NH2 3.79Å; E372-R376 PolarHBondContact OE1-NH2 2.77Å
373F90.1Very high80.3Confident66 Ų66101.5 Ų101.529%0.28950%0.501SS..Hα-helixtrans-79.9-16175-69.3-71000114Q293 K369 L370 M371 F375 R376Q293-F373 PolarHBondContact NE2-O 2.73Å; K369-F373 WeakPolarHBondContact O-CD2 3.36Å; K369-F373 PolarHBondContact O-N 2.81Å; L370-F373 CarbonylContact O-C 3.59Å; L370-F373 PolarHBondContact O-N 2.97Å; M371-F373 VanDerWaalsContact C-N 3.33Å; M371-F373 PolarHBondContact O-N 3.26Å; F373-F375 VanDerWaalsContact C-N 3.35Å; F373-F375 PolarHBondContact O-N 3.34Å; F373-R376 PolarHBondContact O-N 2.88Å
374A90.6Very high77.9Confident1 Ų1103.8 Ų103.81%0.00852%0.521CS..Hα-helixtrans-62-38.8-174.400000113.1V296 Q297 L370 M371V296-A374 HydrophobicContact CB-CB 4.17Å; V296-A374 HydrophobicContact CG1-CB 3.73Å; Q297-A374 HydrophobicContact CG-CB 4Å; Q297-A374 PolarHBondContact NE2-O 3.42Å; L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 2.83Å; M371-A374 VanDerWaalsContact O-CB 3.29Å; M371-A374 WeakPolarHBondContact O-CB 3.27Å; M371-A374 PolarHBondContact O-N 2.88Å
375F90.6Very high74.9Confident127 Ų127104.8 Ų104.856%0.55753%0.527SS*.THydrogen-bonded Turntrans-99-2.8-178.4-60.2-79.1000113.8Y289 Q297 F373 Q377Y289-F375 WeakPolarHBondContact CE1-O 3.5Å; Q297-F375 HydrophobicContact CG-CD1 4.41Å; Q297-F375 HydrophobicContact CG-CE1 3.97Å; Q297-F375 HydrophobicContact CG-CZ 4.13Å; F373-F375 VanDerWaalsContact C-N 3.35Å; F373-F375 PolarHBondContact O-N 3.34Å; F375-Q377 PolarHBondContact O-N 2.88Å
376R88.8Confident72.1Confident134 Ų134105.4 Ų105.451%0.50653%0.534SS..  trans-73.1101.4175.2-72.5177.9177.6-138.23.1109.9Q293 E372 F373 R378Q293-R376 PolarHBondContact NE2-O 3.42Å; E372-R376 WeakPolarHBondContact O-CG 3.49Å; E372-R376 IonicContact OE1-CZ 2.72Å; E372-R376 IonicContact OE1-NE 2.76Å; E372-R376 IonicContact OE1-NH2 3.79Å; E372-R376 PolarHBondContact OE1-NH2 2.77Å; F373-R376 PolarHBondContact O-N 2.88Å; R376-R378 PolarHBondContact O-N 2.86Å
377Q84.6Confident69.6Low131 Ų131108.9 Ų108.961%0.61256%0.564SS**PPolyproline II helixtrans-53.9134.8175.7-60.8-170.59.700110.6P288 Y289 F375 R379P288-Q377 HydrophobicContact CB-CB 4.21Å; P288-Q377 HydrophobicContact CB-CG 4.44Å; P288-Q377 HydrophobicContact CG-CB 4.11Å; P288-Q377 HydrophobicContact CG-CG 3.8Å; Y289-Q377 HydrophobicContact CE1-CB 4.39Å; Y289-Q377 HydrophobicContact CE1-CG 3.83Å; F375-Q377 PolarHBondContact O-N 2.88Å; Q377-R379 PolarHBondContact O-N 2.89Å
378R74.5Confident66.9Low159 Ų159113.8 Ų113.860%0.660%0.596SS**PPolyproline II helixtrans-67.6119.5173-74.5-174.3165.5-167.6-4.7108.6P288 S290 R376 G380P288-R378 PolarHBondContact O-N 2.88Å; S290-R378 VanDerWaalsContact CB-CZ 3.42Å; R376-R378 PolarHBondContact O-N 2.86Å; R378-G380 PolarHBondContact O-N 2.92Å; R378-G380 VanDerWaalsContact O-N 3.09Å
379R69.5Low64.2Low227 Ų227119.5 Ų119.586%0.85761%0.611SS**PPolyproline II helixtrans-49.5121.7166.4-68.1-176-177.5175.42.5107.6Q377 R381Q377-R379 PolarHBondContact O-N 2.89Å; R379-R381 PolarHBondContact O-N 2.77Å; R379-R381 VanDerWaalsContact O-N 3.1Å
380G56.9Low61.9Low72 Ų72122.4 Ų122.474%0.74263%0.626SS**PPolyproline II helixtrans-53.6121.3178.600000108.8R378 H382R378-G380 PolarHBondContact O-N 2.92Å; R378-G380 VanDerWaalsContact O-N 3.09Å; G380-H382 PolarHBondContact O-N 3.11Å
381R52.4Low59.5Low239 Ų239132 Ų13290%0.90267%0.667SS**  trans-61.6112.2171.5-72.8-173.2179.8-174.1-0.4106R379 P383R379-R381 PolarHBondContact O-N 2.77Å; R379-R381 VanDerWaalsContact O-N 3.1Å; R381-P383 VanDerWaalsContact O-N 3.15Å
382H35.2Very low56.9Low176 Ų176133.9 Ų133.982%0.81569%0.693SS**  trans-50.4123.1-178.4-135.5-87000107.9G380 S384G380-H382 PolarHBondContact O-N 3.11Å; H382-S384 PolarHBondContact O-N 3.2Å
383P42.5Very low54.3Low112 Ų112133.3 Ų133.373%0.72771%0.707SS**  trans-60.4117.5-178.923.7-32.2000107.8R381 C385R381-P383 VanDerWaalsContact O-N 3.15Å; P383-C385 PolarHBondContact O-N 3.28Å
384S43.9Very low52Low93 Ų93136.4 Ų136.465%0.6573%0.732SS**  trans-73.299.9-171.254.40000110.1H382 C386H382-S384 PolarHBondContact O-N 3.2Å; S384-C386 PolarHBondContact O-N 3.01Å
385C30.4Very low49.6Very low119 Ų119144.3 Ų144.380%0.80477%0.774SS**SBendtrans52.1-14159.350.70000121P383 A387P383-C385 PolarHBondContact O-N 3.28Å; C385-A387 VanDerWaalsContact C-N 3.28Å; C385-A387 PolarHBondContact O-N 3.09Å
386C31.7Very low46.7Very low129 Ų129143.5 Ų143.587%0.87278%0.783SS**  trans-82.661.4-178.6-58.80000112.6S384S384-C386 PolarHBondContact O-N 3.01Å
387A35.9Very low44.2Very low90 Ų90142.9 Ų142.974%0.74480%0.799SS**  trans-148.416.1-174.400000116.5C385C385-A387 VanDerWaalsContact C-N 3.28Å; C385-A387 PolarHBondContact O-N 3.09Å
388T35.9Very low42.1Very low129 Ų129142.1 Ų142.179%0.79181%0.808SS**  trans-140.141.5-175.5-26.60000115.3
389E35.1Very low40.2Very low193 Ų193145.7 Ų145.790%0.90282%0.821SS**  trans-105.668.5169-72.4-167.2156.400112
390Q42.3Very low38.8Very low183 Ų183140.3 Ų140.386%0.85581%0.814SS**SBendtrans-166.9135.8160.9-106.3154.532.300109.1
391K38.5Very low37.9Very low217 Ų217143.3 Ų143.394%0.94382%0.818SS**SBendtrans70.965.4-175.2-53.4-177.6178.7-177.70116.7
392A35Very low37Very low106 Ų106138 Ų13888%0.87681%0.812SS**  trans-14848.2162.800000112
393A36.2Very low37.2Very low97 Ų97134.1 Ų134.180%0.80281%0.811SS**  trans-127.948.8-169.500000113.9
394T41.8Very low36.8Very low130 Ų130136.2 Ų136.280%0.79882%0.815SS**SBendtrans-165.9129.1167.428.40000109
395N39.1Very low36.7Very low168 Ų168138.5 Ų138.590%0.89883%0.825SS**  trans50.7134.1171.6-64.5-9000116.9
396C31Very low36.9Very low110 Ų110141.8 Ų141.874%0.74383%0.829SS**  cis-155.5143.240.2-172.90000112S398C396-S398 PolarHBondContact O-N 2.94Å
397S34.9Very low37Very low121 Ų121144 Ų14485%0.84683%0.826SS**  trans-79.4113.6169.5-62.10000110.5
398S42.4Very low36.6Very low114 Ų114145.5 Ų145.580%0.79783%0.83SS**  trans-151.8102.1166.6-80.20000112C396C396-S398 PolarHBondContact O-N 2.94Å
399R34.2Very low36.6Very low234 Ų234145.9 Ų145.988%0.88383%0.832SS**  trans-78.9127.6170.5165.4-151.4-76.7-174-5.8108.9
400T38.7Very low36.7Very low115 Ų115147.8 Ų147.871%0.70683%0.831SS**  179.3134.1126.930.70000114.9
401T39.7Very low36.7Very low134 Ų134145.6 Ų145.682%0.82283%0.83SS**  trans58.1139.2143.756.70000122.8
402V33.6Very low36.7Very low127 Ų127139 Ų13977%0.7782%0.816SS**  trans-85.8143.1173.6-71.20000112.7
403A39Very low36.9Very low96 Ų96136.7 Ų136.779%0.79380%0.797SS**  trans-161.2138.7155.900000112.5
404N34.6Very low37.3Very low155 Ų155137.8 Ų137.883%0.82979%0.79SS**  trans-11.5123.9170.4-55.6-6.8000120.2
405V40.9Very low37.4Very low142 Ų142140.2 Ų140.286%0.86179%0.789SS**  trans-138.971.7138.8-170.30000109.7H407V405-H407 PolarHBondContact O-N 3.06Å
406E34.4Very low37.7Very low187 Ų187136.2 Ų136.287%0.87477%0.771SS**  trans-91.380.8170.9-72.8-160.3142.900111.4
407H32.8Very low38.4Very low175 Ų175134.3 Ų134.381%0.8176%0.756SS**  trans-157.7158.7159.8-131.8-95.9000113.2V405V405-H407 PolarHBondContact O-N 3.06Å
408C29.1Very low38.6Very low122 Ų122133.9 Ų133.982%0.82474%0.74SS**SBendtrans77.842.4167.1-145.60000119.6
409T36.3Very low38.5Very low138 Ų138131.8 Ų131.885%0.84773%0.725SS**  trans-131.22617052.80000115.7
410R37Very low38.7Very low233 Ų233125.8 Ų125.888%0.87971%0.71SS**SBendtrans-113.30.1-174.3-111.3176.474.7160.50.4118.8
411T40.7Very low38.9Very low136 Ų136127.3 Ų127.383%0.83470%0.703SS**SBendtrans-113.4-11.4-174.3-300000114.5
412A38.6Very low39.1Very low79 Ų79123.3 Ų123.365%0.65368%0.681SS**SBendtrans-89.3-29.8-178.100000114.1N414A412-N414 PolarHBondContact O-N 3.46Å
413A40.5Very low39.6Very low57 Ų57122 Ų12247%0.47167%0.67SS.*THydrogen-bonded Turntrans-61.9-40.5-169.800000113.9K415 T416A413-K415 VanDerWaalsContact C-N 3.27Å; A413-K415 PolarHBondContact O-N 2.94Å; A413-T416 PolarHBondContact O-N 3.29Å
414N43.3Very low40.1Very low120 Ų120121.7 Ų121.764%0.64266%0.658SS**Hα-helixtrans-64.9-28.9-170.2-62.48000113A412 T416A412-N414 PolarHBondContact O-N 3.46Å; N414-T416 VanDerWaalsContact C-N 3.28Å; N414-T416 PolarHBondContact O-N 3.07Å
415K44.7Very low40.3Very low181 Ų181117.4 Ų117.479%0.78764%0.635SS**Hα-helixtrans-72.7-19.3177.8-67.8-174.3177.3-178.10113.4A413A413-K415 VanDerWaalsContact C-N 3.27Å; A413-K415 PolarHBondContact O-N 2.94Å
416T45.7Very low40.7Very low85 Ų85114.5 Ų114.552%0.52161%0.614SS.*Hα-helixtrans-86.3-33.4179-49.80000111.8A413 N414 L420A413-T416 PolarHBondContact O-N 3.29Å; N414-T416 VanDerWaalsContact C-N 3.28Å; N414-T416 PolarHBondContact O-N 3.07Å; T416-L420 HydrophobicContact CG2-CD1 4.28Å; T416-L420 WeakPolarHBondContact O-CG 3.39Å; T416-L420 PolarHBondContact O-N 2.8Å
417V45.2Very low41.4Very low69 Ų69112 Ų11242%0.41860%0.602SS.*Hα-helixtrans-66.6-42.9179.1179.70000111.1S419 L420 R421V417-S419 PolarHBondContact O-N 3.07Å; V417-L420 PolarHBondContact O-N 3.22Å; V417-L420 VanDerWaalsContact O-N 3.14Å; V417-R421 HydrophobicContact CG1-CG 4.47Å; V417-R421 WeakPolarHBondContact O-CG 3.49Å; V417-R421 PolarHBondContact O-N 3.47Å
418E38.6Very low41.6Very low113 Ų113107.7 Ų107.753%0.52859%0.591SS.*Hα-helixtrans-61.5-41.9179.9-128.253.8-146.500112.6L420 R421 S422E418-L420 PolarHBondContact O-N 3.2Å; E418-R421 PolarHBondContact O-N 3.11Å; E418-R421 IonicContact OE1-NH1 2.87Å; E418-R421 IonicContact OE2-NH1 3.85Å; E418-R421 PolarHBondContact OE2-NH1 3.03Å; E418-S422 PolarHBondContact O-N 2.82Å
419S39.9Very low42.3Very low69 Ų69110.8 Ų110.848%0.48359%0.585SS.*Hα-helixtrans-73.8-9.4178.1-172.70000114.5V417 S422V417-S419 PolarHBondContact O-N 3.07Å; S419-S422 PolarHBondContact O-OG 3.26Å
420L40.4Very low42.4Very low108 Ų108107.7 Ų107.757%0.56556%0.563SS**Hα-helixtrans-100.8-24.4173.6-70.8170.4000111.8T416 V417 E418T416-L420 HydrophobicContact CG2-CD1 4.28Å; T416-L420 WeakPolarHBondContact O-CG 3.39Å; T416-L420 PolarHBondContact O-N 2.8Å; V417-L420 PolarHBondContact O-N 3.22Å; V417-L420 VanDerWaalsContact O-N 3.14Å; E418-L420 PolarHBondContact O-N 3.2Å
421R41Very low42.5Very low147 Ų147101.6 Ų101.656%0.55555%0.552SS**Hα-helixtrans-65-40.9171.5-77.2170.4166.1165.9-7.7112V417 E418 D423 V424 D425V417-R421 HydrophobicContact CG1-CG 4.47Å; V417-R421 WeakPolarHBondContact O-CG 3.49Å; V417-R421 PolarHBondContact O-N 3.47Å; E418-R421 PolarHBondContact O-N 3.11Å; E418-R421 IonicContact OE1-NH1 2.87Å; E418-R421 IonicContact OE2-NH1 3.85Å; E418-R421 PolarHBondContact OE2-NH1 3.03Å; R421-D423 VanDerWaalsContact C-N 3.28Å; R421-D423 PolarHBondContact O-N 2.81Å; R421-V424 PolarHBondContact O-N 3.45Å; R421-D425 WeakPolarHBondContact O-CB 3.36Å; R421-D425 PolarHBondContact O-N 2.89Å
422S44.7Very low42.5Very low51 Ų51100.5 Ų100.536%0.35755%0.547SS..Hα-helixtrans-57.9-37.4178.954.10000113.7E418 S419 V424 L426E418-S422 PolarHBondContact O-N 2.82Å; S419-S422 PolarHBondContact O-OG 3.26Å; S422-V424 VanDerWaalsContact C-N 3.34Å; S422-L426 PolarHBondContact O-N 3.43Å
423D43.8Very low42.3Very low100 Ų100104.4 Ų104.454%0.53556%0.557SS.*Hα-helixtrans-71.3-29.3-178.8-75.59.4000112.3R421R421-D423 VanDerWaalsContact C-N 3.28Å; R421-D423 PolarHBondContact O-N 2.81Å
424V49.5Very low42.3Very low89 Ų89110.8 Ų110.854%0.53957%0.574SS.*Hα-helixtrans-90.3-41.7-178.51800000111.8R421 S422 L426 Q427 C428R421-V424 PolarHBondContact O-N 3.45Å; S422-V424 VanDerWaalsContact C-N 3.34Å; V424-L426 PolarHBondContact O-N 3.26Å; V424-Q427 PolarHBondContact O-N 2.56Å; V424-C428 PolarHBondContact O-N 3.18Å
425D39.9Very low41.9Very low65 Ų65109.4 Ų109.435%0.34858%0.579SS.*Hα-helixtrans-63.3-25.8-179.6-162.218.7000111.9R421 Q427 C428 R429R421-D425 WeakPolarHBondContact O-CB 3.36Å; R421-D425 PolarHBondContact O-N 2.89Å; D425-Q427 VanDerWaalsContact C-N 3.32Å; D425-Q427 PolarHBondContact O-N 2.99Å; D425-C428 PolarHBondContact O-N 3.5Å; D425-R429 PolarHBondContact O-N 3.28Å; D425-R429 VanDerWaalsContact O-N 3.11Å; D425-R429 WeakPolarHBondContact OD1-CG 3.28Å; D425-R429 IonicContact OD1-CZ 2.72Å; D425-R429 IonicContact OD1-NE 3.52Å; D425-R429 PolarHBondContact OD1-NE 3.06Å; D425-R429 IonicContact OD1-NH2 3.24Å; D425-R429 IonicContact OD2-CZ 3.93Å; D425-R429 IonicContact OD2-NE 2.63Å; D425-R429 PolarHBondContact OD2-NE 2.89Å; D425-R429 IonicContact OD2-NH2 2.73Å; D425-R429 PolarHBondContact OD2-NH2 3.14Å
426L48.9Very low41.4Very low80 Ų80105.4 Ų105.442%0.41958%0.58SS.*Hα-helixtrans-64.9-29.1171.6-128.275.8000113.8S422 V424S422-L426 PolarHBondContact O-N 3.43Å; V424-L426 PolarHBondContact O-N 3.26Å
427Q48.5Very low41.1Very low134 Ų134110.1 Ų110.163%0.62660%0.596SS**Hα-helixtrans-80.7-33.3171.1-100.2108.538.400112.1V424 D425V424-Q427 PolarHBondContact O-N 2.56Å; D425-Q427 VanDerWaalsContact C-N 3.32Å; D425-Q427 PolarHBondContact O-N 2.99Å
428C37.4Very low40.4Very low85 Ų85112.6 Ų112.657%0.57461%0.613SS**Hα-helixtrans-77-30.4-174.5-65.90000114.2V424 D425V424-C428 PolarHBondContact O-N 3.18Å; D425-C428 PolarHBondContact O-N 3.5Å
429R42.7Very low40.4Very low188 Ų188115.5 Ų115.571%0.70963%0.632SS**THydrogen-bonded Turntrans-882.5-175.5-63.4-170.1-167.6-147.812115.9D425D425-R429 PolarHBondContact O-N 3.28Å; D425-R429 VanDerWaalsContact O-N 3.11Å; D425-R429 WeakPolarHBondContact OD1-CG 3.28Å; D425-R429 IonicContact OD1-CZ 2.72Å; D425-R429 IonicContact OD1-NE 3.52Å; D425-R429 PolarHBondContact OD1-NE 3.06Å; D425-R429 IonicContact OD1-NH2 3.24Å; D425-R429 IonicContact OD2-CZ 3.93Å; D425-R429 IonicContact OD2-NE 2.63Å; D425-R429 PolarHBondContact OD2-NE 2.89Å; D425-R429 IonicContact OD2-NH2 2.73Å; D425-R429 PolarHBondContact OD2-NH2 3.14Å
430L38.7Very low40.1Very low72 Ų72121.6 Ų121.638%0.37765%0.65SS.*  trans-105.853.8-177.4-64.1178.7000112.7R342R342-L430 PolarHBondContact NH1-O 3.45Å
431T38.9Very low39.9Very low106 Ų106121.4 Ų121.465%0.6566%0.657SS**  trans-118.199.2163.5510000108.9D433T431-D433 PolarHBondContact O-N 3.35Å
432P42.7Very low39.6Very low113 Ų113120.1 Ų120.173%0.73466%0.661SS**  trans-70.6120.7175.328.5-32.5000109.6K434P432-K434 PolarHBondContact O-N 3Å
433D32.9Very low39.4Very low160 Ų160125.8 Ų125.886%0.85668%0.679SS**  trans-66.6112.6174-170.4-8.3000109.5T431T431-D433 PolarHBondContact O-N 3.35Å
434K40.6Very low38.9Very low192 Ų192126.9 Ų126.984%0.83570%0.695SS**  trans-111.883.1178.1-89.8-158.9170.3-169.10111P432P432-K434 PolarHBondContact O-N 3Å
435A36.2Very low38.4Very low91 Ų91126.4 Ų126.475%0.75271%0.708SS**  trans44.3109139.800000117.2
436A33.9Very low38.1Very low96 Ų96132.3 Ų132.379%0.79373%0.733SS**  trans-57.7147.517600000114.7
437Q38Very low37.4Very low184 Ų184134.1 Ų134.186%0.8675%0.751SS**  trans-131.9131.8138-73.8-158.7-1.800109.6
438P31Very low36.8Very low121 Ų121134.9 Ų134.979%0.78676%0.76SS**  trans-95117.2-179.634.1-30.5000111.9
439L39.7Very low36.8Very low174 Ų174137.4 Ų137.491%0.91177%0.772SS**  trans-123.5154.1161.3-78.8175000110.8
440K32.7Very low36.1Very low198 Ų198135 Ų13586%0.86178%0.782SS**  trans-100.5146.9-156-55.7171-176.11740111.9
441S35.9Very low35.7Very low103 Ų103136.2 Ų136.272%0.7280%0.803SS**  139.1122.6128.275.50000114.4
442D34.4Very low35.5Very low120 Ų120137.8 Ų137.864%0.64281%0.812SS**  trans68114.1130.9-74.237.4000123.4
443K40.6Very low34.9Very low170 Ų170138.7 Ų138.774%0.73982%0.816SS**  trans97.6109.9130.5-69.8170.2177112.70119.9
444S34Very low34.7Very low124 Ų124136.8 Ų136.887%0.86781%0.814SS**  trans57.9109.2141.657.20000119.6
445G38.1Very low34.6Very low78 Ų78133.5 Ų133.580%0.80481%0.811SS**  trans-173.673.517000000111.9
446Q34.6Very low34.4Very low190 Ų190138.7 Ų138.789%0.88882%0.817SS**  trans-86.1125-170.5-148.3152.2-6.200111.4
447C33.2Very low34.5Very low117 Ų117140.4 Ų140.479%0.79182%0.817SS**  trans-143.2133.9169.263.10000111.6
448N35.9Very low34.3Very low150 Ų150141.5 Ų141.580%0.80282%0.819SS**  trans-10579-165.4-68.6-20.2000112.5
449V37.9Very low34.7Very low138 Ų138142 Ų14284%0.83682%0.82SS**  trans-143.588.2167.6-171.10000111.5
450C29.2Very low34.5Very low137 Ų137140.9 Ų140.993%0.92682%0.815SS**  trans175.995.6148.5-106.70000111.1
451A29.5Very low34.5Very low98 Ų98139.9 Ų139.981%0.8181%0.813SS**  trans-152.7101.3170.600000111.3
452V33.4Very low34.6Very low140 Ų140140.8 Ų140.885%0.84882%0.82SS**SBendtrans172.3140.1150.5142.60000109.1
453V31.1Very low34.7Very low132 Ų132139.3 Ų139.380%0.882%0.824SS**SBendtrans64.484.4-174.8-164.20000116.4
454S29.6Very low34.4Very low119 Ų119136.9 Ų136.983%0.83283%0.828SS**  trans-175.491.2138.4-82.70000111.8
455T36.7Very low34.5Very low123 Ų123140.3 Ų140.376%0.75583%0.828SS**  trans-147.3141.4164.646.10000110
456F33.8Very low34.3Very low200 Ų200142 Ų14288%0.87782%0.822SS**  trans61.9133.7-176.7-54.4-84.2000114.3
457V35.9Very low34.4Very low132 Ų132139.2 Ų139.280%0.881%0.809SS**  cis-137.1140.823.6169.70000110.9
458K33.1Very low34.4Very low207 Ų207142.5 Ų142.590%0.981%0.805SS**  trans-164.7116.8157.5-122.2-170.9179.8-165.20111.7
459T38.4Very low34.1Very low132 Ų132144.9 Ų144.981%0.8181%0.808SS**  trans-155.5141.5159.343.50000108.1
460D36.3Very low33.9Very low151 Ų151144 Ų14481%0.80780%0.803SS**  trans-61.2145.2-176.2-55.7-81.1000112.3
461E33.5Very low34Very low177 Ų177142.4 Ų142.483%0.82779%0.794SS**  60.894.665.1-169176149.200114
462S37.9Very low34.3Very low122 Ų122145.3 Ų145.385%0.85380%0.795SS**  trans-167.1124.3149.9-86.20000113.3
463A35.6Very low34.4Very low89 Ų89142.5 Ų142.574%0.73678%0.781SS**  trans35.8109.915000000122.1
464S34.9Very low34.6Very low118 Ų118146.1 Ų146.183%0.82578%0.781SS**  54.1123.1118-51.90000121.7
465K35.8Very low34.9Very low197 Ų197147.5 Ų147.586%0.85777%0.774SS**  160130.590.6-169.5166.1-177179.30114.8
466V34.6Very low34.8Very low113 Ų113146.2 Ų146.269%0.68577%0.77SS**  trans68.3103.9154170.20000120.9
467E35.6Very low34.8Very low132 Ų132142.4 Ų142.462%0.61776%0.759SS**  58.1132.9127.7-55-152.6158.600126.3
468R32.9Very low34.8Very low186 Ų186146.1 Ų146.170%0.70276%0.758SS**  trans46.5120.8131.8-60.2176179127.75.6119.6
469F31.5Very low35Very low199 Ų199142.9 Ų142.987%0.87375%0.75SS**  -155.5179.589.5-123.4-94.4000111.7
470V32.8Very low35Very low120 Ų120141.7 Ų141.773%0.72774%0.744SS**  trans-137.4152.9-163159.40000112.4
471S31.6Very low34.8Very low104 Ų104140.4 Ų140.473%0.72774%0.738SS**  trans86.7158.6159-90.90000120.7
472L36.1Very low34.8Very low158 Ų158138.7 Ų138.783%0.82774%0.739SS**  trans82.8134171.9-52.4-176.1000116.8
473S34.6Very low34.7Very low82 Ų82138.2 Ų138.257%0.57373%0.733SS**  cis-170.9145.9-21.3-1220000111.6
474R35.8Very low34.6Very low208 Ų208139.2 Ų139.279%0.78574%0.735SS**  trans67157.1147.2-65.9168.9-176.6-148.81.9117.1
475Q35.8Very low34.8Very low148 Ų148138.8 Ų138.869%0.69273%0.73SS**  cis-157.9162.8-8.2-123160.9-4000109.8
476S34.6Very low34.5Very low95 Ų95136.3 Ų136.366%0.66473%0.725SS**  trans33.9137151.659.90000120.2
477D33.9Very low34.5Very low121 Ų121137.1 Ų137.165%0.64773%0.73SS**  cis-175.717617.5-114.74.3000107.8
478R36.3Very low34.1Very low210 Ų210139.5 Ų139.579%0.79274%0.743SS**  cis-151.1-175.52-147.4169-94.9-152-13.1110.3
479L37.6Very low34.2Very low139 Ų139137.9 Ų137.973%0.72875%0.747SS**  trans-133.7174.7168.2-90171.2000107.8
480P38.1Very low34Very low106 Ų106132.7 Ų132.769%0.68874%0.741SS**  cis-149.4163.831.142.9-21.7000120.5
481N32.3Very low34Very low124 Ų124138 Ų13866%0.66375%0.748SS**  trans26.1131.3134-42.7-21.8000121.1
482T32.2Very low34Very low141 Ų141137.2 Ų137.287%0.86574%0.742SS**  -178162.399.427.90000112.5
483P36.3Very low33.6Very low112 Ų112137 Ų13773%0.72774%0.742SS**  trans-129.2170-171.542.7-28.6000117.5
484S32.8Very low33.6Very low111 Ų111139.8 Ų139.878%0.77676%0.756SS**  trans73.9172.6157.2-57.60000117.9
485P40.4Very low33.5Very low109 Ų109135 Ų13571%0.70875%0.754SS**  -137-174.2-6041.7-26.9000114.6
486L27.7Very low33.9Very low144 Ų144133.5 Ų133.575%0.75476%0.757SS**  trans72.4133.8163.3-66.8169.1000120.2
487V35.7Very low34.1Very low130 Ų130136.7 Ų136.779%0.78877%0.765SS**  -178144.1117.9146.40000109.7I489V487-I489 HydrophobicContact CG1-CG1 4.38Å
488M26.9Very low34.1Very low183 Ų183135.5 Ų135.590%0.90176%0.759SS**  trans-97.9137169.9-68.1-171-63.100111.4
489I34.7Very low34.3Very low151 Ų151137.1 Ų137.177%0.77477%0.765SS**  trans-138.5132151.5-58.4-177.8000108.1V487V487-I489 HydrophobicContact CG1-CG1 4.38Å
490A27.2Very low34.2Very low91 Ų91137.7 Ų137.775%0.75276%0.761SS**  trans-110.7143.3170.300000110.1
491R32.9Very low34.2Very low230 Ų230143.4 Ų143.487%0.86877%0.769SS**  trans-162.1109.8161.2-114.9163.9-178.6124.32.4113.8
492S31Very low34.2Very low88 Ų88147.9 Ų147.962%0.61578%0.777SS**  trans33.6123.2135.860.60000121.5
493N28.9Very low34.5Very low155 Ų155147.2 Ų147.283%0.82977%0.767SS**  trans61.9121130.2-52-0.9000120
494V35.2Very low34.3Very low140 Ų140148.6 Ų148.685%0.84877%0.769SS**  -177.9149.6114.1146.80000110
495S33.4Very low34.5Very low108 Ų108147.2 Ų147.276%0.75576%0.759SS**  trans-144.2-177.7176.1-52.40000108.2
496P43.1Very low34.5Very low116 Ų116147.6 Ų147.675%0.75376%0.759SS**  cis-120.9-170.1-45.237.1-21.9000111
497I39.6Very low34.9Very low162 Ų162147 Ų14783%0.83176%0.757SS**  trans-169.8107.5154.4-98.8145000108.5
498D33.6Very low35.2Very low96 Ų96147 Ų14751%0.51375%0.752SS.*  44119.7102-168.214.5000117.4K500D498-K500 PolarHBondContact OD1-N 3.06Å; D498-K500 IonicContact OD2-NZ 3.16Å; D498-K500 PolarHBondContact OD2-NZ 2.87Å
499R40.6Very low35.8Very low244 Ų244146 Ų14692%0.92175%0.749SS**  trans-155.987.3141.9-107.3166.8-161.6-159.84.1113.2
500K35.7Very low35.9Very low151 Ų151141.9 Ų141.966%0.65774%0.744SS**  6.3139.8122.7-91.4161-171.9129.90116.1D498D498-K500 PolarHBondContact OD1-N 3.06Å; D498-K500 IonicContact OD2-NZ 3.16Å; D498-K500 PolarHBondContact OD2-NZ 2.87Å
501R37.4Very low36.6Very low226 Ų226147.9 Ų147.985%0.85375%0.747SS**  cis-156.2149.235.5-62.9-173.3-175.6178.8-0.2109.4
502R33.5Very low36.9Very low217 Ų217145 Ų14582%0.81974%0.741SS**  76.7115.761.9-111.7-162.6169.7-156.1-0.9115.8
503L37.4Very low37.4Very low127 Ų127147.7 Ų147.767%0.66575%0.748SS**  trans71.5148.6137.7-67.3172.9000120.4
504D33.3Very low37.8Very low142 Ų142144.7 Ų144.776%0.75974%0.739SS**  cis-169.9-179.8-15.5-155.6-4.4000111.6
505S35.5Very low38Very low81 Ų81146.5 Ų146.557%0.56674%0.738SS**  trans88.1114.1142.3-143.50000122.4
506T40.8Very low38.3Very low118 Ų118146.4 Ų146.472%0.72474%0.738SS**  64.3155.8127.461.80000120.8
507D37.3Very low38.1Very low132 Ų132145.2 Ų145.271%0.70674%0.738SS**  cis-164.9176.913.1-141.3-23.9000116.5
508L40.7Very low38.2Very low130 Ų130143.1 Ų143.168%0.68173%0.734SS**  trans76.3112.4149.6-64.6165.7000124
509L39.3Very low38.4Very low161 Ų161144.1 Ų144.184%0.84375%0.749SS**  trans57.7146.4130.7-54.9177.9000123
510G36.8Very low38.2Very low65 Ų65137.9 Ų137.967%0.6774%0.743SS**  cis153.3153.4-13.600000116.8
511R42.6Very low38.5Very low217 Ų217137.2 Ų137.282%0.81975%0.754SS**  trans68155168.6-58.1178.5174.5165.3-1.1115.6
512F39.5Very low38.5Very low169 Ų169135.9 Ų135.974%0.74175%0.754SS**  cis-150.6177.216.2-91.6-53.8000108.4
513L40.3Very low38.8Very low145 Ų145136.1 Ų136.176%0.75976%0.755SS**  cis-155.3135.7-10.9-102.2167.4000105
514S38.1Very low39Very low91 Ų91137.9 Ų137.964%0.63676%0.76SS**  67113.986.2-163.80000119.1
515Q39.9Very low39.2Very low178 Ų178135.1 Ų135.183%0.83276%0.757SS**  177.4144.8111-94.4174.597.200114.9
516S38.4Very low39.5Very low107 Ų107140 Ų14075%0.74877%0.77SS**  trans37.3131.4158.453.70000122.4
517A39.5Very low39.2Very low91 Ų91145.3 Ų145.375%0.75278%0.777SS**  cis81.115727.300000116.2
518P42.4Very low39.3Very low117 Ų117145.9 Ų145.976%0.7678%0.779SS**  cis-144-166.9-39.839.7-20.5000115.7
519S37.6Very low39.3Very low118 Ų118145.2 Ų145.283%0.82579%0.786SS**  trans99.4164.6148.782.40000122.6
520S36.1Very low39.2Very low113 Ų113141.6 Ų141.679%0.7979%0.787SS**  trans-144.6165.1-173.1-380000111.5
521P43Very low39.1Very low136 Ų136142.3 Ų142.388%0.88380%0.795SS**  trans-149.2-153.7133.937.9-18.7000116.3
522K37.5Very low39.1Very low199 Ų199137.5 Ų137.587%0.86579%0.792SS**  trans-128177-154.2-57.1171.4177.4174.30115
523R38.7Very low38.9Very low222 Ų222138.6 Ų138.684%0.83880%0.797SS**  trans94.2156.9164.1-58-171.9177.7-153.31.3115.4
524H41Very low38.5Very low163 Ų163138.7 Ų138.776%0.75580%0.798SS**  cis-139.817822.4-138.9-84.9000114.8
525A38.2Very low38Very low84 Ų84141.3 Ų141.369%0.69480%0.803SS**  trans-149.5161.4-177.600000115.1
526Q41Very low37.8Very low183 Ų183139.6 Ų139.686%0.85581%0.805SS**  trans-164.5131.7162.3-97.7155.1-800107.2
527R35.2Very low37.5Very low230 Ų230140.3 Ų140.387%0.86881%0.805SS**  65.8136.664.4-86.7-169.4172.5-148.7-0.9113.6
528L40Very low37.2Very low144 Ų144143.8 Ų143.875%0.75481%0.811SS**  cis-147.2167.743.4-71.1162.9000115.9
529S39.3Very low36.9Very low116 Ų116146.6 Ų146.681%0.81181%0.814SS**  trans16.2148.2153.556.50000123.5
530G37.5Very low37.1Very low85 Ų85146.1 Ų146.188%0.87681%0.811SS**  cis139.1146.9-5.600000115
531G35.6Very low37.3Very low80 Ų80148.9 Ų148.983%0.82582%0.817SS**  trans118.8129.1163.100000117.9
532P43.3Very low36.9Very low117 Ų117145.3 Ų145.376%0.7680%0.804SS**  trans-111.1170.6173.540.8-33000113.7
533F35Very low36.8Very low192 Ų192146.5 Ų146.584%0.84280%0.803SS**  trans-171.9132.6140.1-109.8-67.1000116.1
534N31.1Very low36.5Very low146 Ų146143.6 Ų143.678%0.78180%0.799SS**  trans30.7155.5151.4-71.83.8000127.9
535I27.4Very low36Very low147 Ų147145.9 Ų145.975%0.75480%0.801SS**  trans-76.1146.2169.7-63.7153.5000112.3
536T35.4Very low35.6Very low141 Ų141148.7 Ų148.787%0.86580%0.804SS**  trans-140.8149.8144.9-44.20000109.6
537T31.7Very low35.3Very low122 Ų122147.6 Ų147.675%0.74880%0.799SS**  trans-101.3153.2178.349.50000112.4
538D35.2Very low35Very low164 Ų164144.8 Ų144.888%0.87780%0.8SS**  trans-154162138.8-142.2-20.5000112
539E35.8Very low34.7Very low176 Ų176143 Ų14382%0.82280%0.799SS**  trans-104.7150.8176.9-70.2-170.277.100112.3
540S40.4Very low34.6Very low109 Ų109143.4 Ų143.476%0.76280%0.798SS**  166141.3125.844.40000113.1
541D40.7Very low34.7Very low171 Ų171144.7 Ų144.791%0.91479%0.794SS**  trans54158.8156.1-75.6-31.2000121.3
542G34.4Very low35.5Very low60 Ų60146.6 Ų146.662%0.61979%0.792SS**  cis168.692.1-7.200000114.5
543R36Very low35.2Very low224 Ų224146.8 Ų146.885%0.84579%0.793SS**  trans73.1122.3158.3-63.9-178.7175.8-1721121
544Q32.4Very low35.2Very low162 Ų162142.6 Ų142.676%0.75779%0.788SS**  92.3150.5125.7-77179.718.700123
545R31.3Very low35.4Very low211 Ų211145.4 Ų145.480%0.79679%0.793SS**  trans76.3109.6162.6-75.6-173.2121.2117-2.7120.3
546L28.7Very low35.9Very low142 Ų142143.5 Ų143.574%0.74379%0.788SS**  trans66.5158.6137.1-51.7172.6000115.3
547Q34.8Very low35.8Very low161 Ų161141.8 Ų141.875%0.75278%0.782SS**  cis-151.1156.817-161167.2-69.100110.1
548L29.5Very low36.1Very low170 Ų170142.5 Ų142.589%0.8979%0.786SS**  trans-86.1124.5169.8-77.1167.6000110.4
549C34.2Very low36.3Very low108 Ų108139 Ų13973%0.7378%0.779SS**  trans-142.5153.6162.5-85.80000110.2
550P37.1Very low36.4Very low123 Ų123136.1 Ų136.180%0.79978%0.779SS**  trans-94.7174.3-167.437.3-35.1000114.3
551S39.8Very low36.6Very low113 Ų113136.2 Ų136.279%0.7978%0.777SS**PPolyproline II helixtrans-64.7148.3175.234.90000113.5
552P51.2Low36.6Very low120 Ų120134.8 Ų134.878%0.77977%0.769SS**PPolyproline II helixtrans-84.5154.9-171.533.8-36.7000114.1
553P36.9Very low37Very low121 Ų121137.4 Ų137.479%0.78677%0.773SS**PPolyproline II helixtrans-87171.9173.436.3-35.7000113.9
554S34.4Very low37.2Very low104 Ų104132.3 Ų132.373%0.72777%0.772SS**  trans-33.7139.3176.853.70000118.6
555F36.2Very low37.6Very low204 Ų204128.4 Ų128.490%0.89577%0.768SS**  trans-97.2154.9155.6-167.8-96.9000110.9
556V36.9Very low38.1Very low107 Ų107125.9 Ų125.965%0.64877%0.769SS**  trans-143.7156.6-170.1-178.30000110.7
557S34.9Very low38.7Very low105 Ų105127.7 Ų127.773%0.73477%0.771SS**  trans113.5166148.3-154.80000117.7
558V36.7Very low38.8Very low137 Ų137124.1 Ų124.183%0.8377%0.769SS**  trans74.5121.6174.4-169.30000114.7
559A40.1Very low39.5Very low90 Ų90123.9 Ų123.974%0.74477%0.768SS**  cis-161.4171.8-11.200000111.5
560S37Very low40.1Very low117 Ų117123.7 Ų123.782%0.81877%0.768SS**  trans-122.3162161-54.20000109.4
561P46.4Very low40.2Very low111 Ų111125.1 Ų125.172%0.72177%0.768SS**  -149.9175.7117.341.4-26.7000115.6
562D40.4Very low40.3Very low141 Ų141128 Ų12875%0.75477%0.77SS**  trans67.6147152.6-62.5-25.7000120.5
563T43.1Very low39.9Very low114 Ų114126 Ų12670%0.69976%0.758SS**  cis-155.9153.2-010.50000112.4
564S40Very low40Very low118 Ų118130.7 Ų130.783%0.82576%0.76SS**  trans58.9148.3147.7-580000120.6
565A40.2Very low40.5Very low80 Ų80130.6 Ų130.666%0.66176%0.76SS**  cis-168.1151.415.100000114.3
566L41.4Very low41Very low158 Ų158127.7 Ų127.783%0.82776%0.759SS**  trans62.8159147.8-56.9169.1000122.1
567K40.9Very low41.2Very low179 Ų179125.7 Ų125.778%0.77876%0.759SS**  cis-173.5112.8-35.4-176.8175.2-179.1-176.30114.1
568A38.7Very low41.6Very low86 Ų86130.3 Ų130.371%0.71177%0.767SS**  trans56.7175.914600000123.6
569L43.1Very low41.8Very low166 Ų166131.5 Ų131.587%0.86977%0.767SS**  trans81140.7177.8-49.9177000116.2
570S46.7Very low42Very low104 Ų104130.9 Ų130.973%0.72776%0.762SS**  cis-160.4175.4-11.5-111.30000112.4
571D40.3Very low42.2Very low152 Ų152133.7 Ų133.781%0.81376%0.762SS**  trans-81.5-177.6-167-66.8-89.8000119.4
572E41.6Very low42Very low175 Ų175134.3 Ų134.382%0.81876%0.759SS**  trans85.3147.8161.1-72.6-159.753.300119.7
573S41.1Very low42.2Very low77 Ų77135.7 Ų135.754%0.53876%0.758SS.*  cis-155.4153.14.9-137.20000114.6
574R40.4Very low41.9Very low220 Ų220137.1 Ų137.183%0.8376%0.757SS**  trans48.7117.2145.7-77.6173.3175154.11.3122
575S45.4Very low41.9Very low102 Ų102135.5 Ų135.571%0.71375%0.751SS**  79.6141.28584.50000115.4
576T45.6Very low42Very low143 Ų143137.8 Ų137.888%0.87776%0.756SS**  cis-148.4175.121.753.30000110.6
577G41.7Very low41.9Very low64 Ų64135 Ų13566%0.6675%0.75SS**  cis160.8157.8-12.100000114
578K43.4Very low41.9Very low203 Ų203132.6 Ų132.688%0.88375%0.75SS**  trans71.9146.6167-62.8-167.9176.6-1800118.5
579L40.4Very low41.9Very low162 Ų162133 Ų13385%0.84875%0.754SS**  cis-151175.5-13.3-150.768000111.3
580A44.6Very low42Very low77 Ų77129.2 Ų129.264%0.63675%0.746SS**  trans-86.9-165.9-178.300000113
581H41.2Very low41.8Very low176 Ų176131.9 Ų131.982%0.81575%0.752SS**  cis-159.4-17628.4-153.8-100.2000114.9
582L42.9Very low42.3Very low124 Ų124128.7 Ų128.765%0.64974%0.742SS**  trans-84.7162.3-163.6-80.2150.4000118.7
583K42.7Very low42.5Very low170 Ų170127.1 Ų127.174%0.73974%0.74SS**  trans72.6160.9146.4-77.1170.6167.4-101.60119.4
584E38.7Very low42.9Very low144 Ų144129.4 Ų129.467%0.67375%0.75SS**  cis-174.1143.2-24173.6163.3-158.700112
585A39.4Very low43.4Very low84 Ų84127.9 Ų127.969%0.69475%0.752SS**  trans68163.1157.800000124.2
586T40.9Very low43.3Very low128 Ų128130.3 Ų130.379%0.78576%0.757SS**  trans74.690.815736.90000123.4
587S40.1Very low43.7Very low98 Ų98130.5 Ų130.569%0.68576%0.758SS**  66.2138.5114.263.30000125.7
588T41.3Very low44.2Very low129 Ų129133.4 Ų133.479%0.79176%0.763SS**  trans79.6105.8141.940.10000123.9
589A38.5Very low44.3Very low96 Ų96128.9 Ų128.979%0.79376%0.757SS**  81.9151.1120.600000122.7
590A44.6Very low45.2Very low85 Ų85127.7 Ų127.770%0.70276%0.755SS**  trans64.1146.7176.800000117.2
591D43.3Very low46Very low160 Ų160129.6 Ų129.686%0.85676%0.755SS**  cis-165.8179.1-22.4-94.9-32.1000106.6
592S51.1Low46.7Very low86 Ų86129.8 Ų129.860%0.60175%0.753SS**  cis-156.6-172.514.671.30000110.9
593N44.5Very low47.4Very low142 Ų142131 Ų13176%0.75980%0.796SS**  trans26.7138.2143.2-51.9-33.7000120.7
594T50.4Low47.6Very low124 Ų124129.1 Ų129.176%0.76180%0.799SS**  -155.3154.457.838.60000117.6
595E50Low48.1Very low188 Ų188128.3 Ų128.388%0.87981%0.806SS**  trans72162.1149.2-77.4-173.799.200123
596L44.2Very low48.6Very low154 Ų154130.7 Ų130.781%0.80681%0.812SS**  trans-130.9157.4-153.7-72.7143.2000112.1
597T53.1Low49Very low147 Ų147130.9 Ų130.990%0.90281%0.813SS**  trans-154.4161145.3-3.70000110
598V51.9Low49.6Very low125 Ų125132.9 Ų132.976%0.75882%0.821SS**  trans-119.2138.2-145.9173.80000115.5
599S45.8Very low50.1Low108 Ų108133.2 Ų133.276%0.75582%0.823SS**  trans7.5132.2156.4-48.50000122.9
600V60.2Low51Low136 Ų136135.9 Ų135.982%0.82483%0.826SS**  trans-139.6113.9135.8-1780000105.3
601D60.4Low51.5Low118 Ų118139.8 Ų139.863%0.63184%0.835SS**  59.8134.188.3-131.730000112.9
602K56.8Low52.1Low179 Ų179138.1 Ų138.178%0.77883%0.833SS**  cis-162.2149.34.2-157.3176.3-139.171.20108.6
603G57.4Low52.2Low150 Ų150142.8 Ų142.8100%1.54685%0.854SS**  trans158.20175.500000113.9

Retrieved 603 of 603 residues in 74.2 ms (Link to these results)