A0A077ZCR1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 325 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low43.3Very low223 Ų223106.3 Ų106.3100%1.09957%0.566SS**  0123.50-169.8174.2-67.300104.8D3M1-D3 PolarHBondContact O-N 3.09Å
2E35.7Very low43.3Very low194 Ų194108.1 Ų108.191%0.90756%0.559SS**  trans-78.7109.1-179.7-69.9176.6162.200108.4L4E2-L4 PolarHBondContact O-N 3.4Å
3D41.1Very low42.9Very low146 Ų146103.5 Ų103.578%0.78154%0.539SS*.PPolyproline II helixtrans-66.8120-179-67.2-40.3000110M1 S5M1-D3 PolarHBondContact O-N 3.09Å; D3-S5 PolarHBondContact O-N 3.39Å
4L45.9Very low42.5Very low62 Ų62103.7 Ų103.733%0.32554%0.536SS..PPolyproline II helixtrans-60.7125172.6-70.6166.9000108.5E2 Q8 I9E2-L4 PolarHBondContact O-N 3.4Å; L4-Q8 HydrophobicContact CD2-CB 4.49Å; L4-I9 HydrophobicContact CB-CD1 4.36Å; L4-I9 HydrophobicContact CB-CG1 3.96Å
5S47.4Very low41.9Very low58 Ų58102.6 Ų102.641%0.40655%0.548SS..PPolyproline II helixtrans-62.115017973.90000110.6D3 N7 Q8 I9D3-S5 PolarHBondContact O-N 3.39Å; S5-N7 PolarHBondContact O-N 3.31Å; S5-Q8 WeakPolarHBondContact O-CA 3.42Å; S5-Q8 WeakPolarHBondContact O-CB 3.34Å; S5-Q8 PolarHBondContact O-N 3.41Å; S5-Q8 WeakPolarHBondContact OG-CG 3.42Å; S5-I9 PolarHBondContact O-N 3.33Å
6L43Very low41.6Very low111 Ų111101 Ų10158%0.58154%0.538SS*.Hα-helixtrans-51-36.3-178.4-151.880.2000112I9 V10 L213L6-I9 PolarHBondContact O-N 3.06Å; L6-V10 WeakPolarHBondContact O-CB 3.28Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.45Å; L6-L213 HydrophobicContact CD2-CD2 3.74Å
7N40.8Very low41.2Very low132 Ų13299.4 Ų99.471%0.70653%0.529SS*.Hα-helixtrans-67.7-35.8176.6-66.1-20.9000113.4S5 G11S5-N7 PolarHBondContact O-N 3.31Å; N7-G11 PolarHBondContact O-N 2.87Å
8Q49.1Very low41.2Very low100 Ų10097.8 Ų97.847%0.46752%0.517SS..Hα-helixtrans-70-35.2173.3-70.8174.8-18.700111.7L4 S5 R12L4-Q8 HydrophobicContact CD2-CB 4.49Å; S5-Q8 WeakPolarHBondContact O-CA 3.42Å; S5-Q8 WeakPolarHBondContact O-CB 3.34Å; S5-Q8 PolarHBondContact O-N 3.41Å; S5-Q8 WeakPolarHBondContact OG-CG 3.42Å; Q8-R12 WeakPolarHBondContact O-CB 3.41Å; Q8-R12 VanDerWaalsContact O-CG 3.25Å; Q8-R12 WeakPolarHBondContact O-CG 3.29Å; Q8-R12 PolarHBondContact O-N 3.18Å; Q8-R12 VanDerWaalsContact O-N 3.16Å
9I49.5Very low41.2Very low79 Ų7997 Ų9741%0.40551%0.513SS..Hα-helixtrans-65.2-51.3172.5-60.6173.5000109.3L4 S5 L6 G11 R12 V13L4-I9 HydrophobicContact CB-CD1 4.36Å; L4-I9 HydrophobicContact CB-CG1 3.96Å; S5-I9 PolarHBondContact O-N 3.33Å; L6-I9 PolarHBondContact O-N 3.06Å; I9-G11 PolarHBondContact O-N 2.82Å; I9-R12 PolarHBondContact O-N 3Å; I9-R12 VanDerWaalsContact O-N 3.12Å; I9-V13 HydrophobicContact CG2-CG2 4.19Å; I9-V13 WeakPolarHBondContact O-CB 3.44Å; I9-V13 VanDerWaalsContact O-CG2 3.26Å; I9-V13 WeakPolarHBondContact O-CG2 3.45Å; I9-V13 PolarHBondContact O-N 2.77Å
10V47.7Very low41Very low26 Ų2698.1 Ų98.116%0.15852%0.515CS..Hα-helixtrans-57.2-46.1177.8169.30000112L6 R12 V13 Q14 L213 F218L6-V10 WeakPolarHBondContact O-CB 3.28Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.45Å; V10-R12 VanDerWaalsContact C-N 3.3Å; V10-R12 PolarHBondContact O-N 2.87Å; V10-V13 PolarHBondContact O-N 2.86Å; V10-Q14 HydrophobicContact CG1-CG 4.4Å; V10-Q14 VanDerWaalsContact O-CG 3.31Å; V10-Q14 WeakPolarHBondContact O-CG 3.46Å; V10-Q14 PolarHBondContact O-N 3.38Å; V10-L213 HydrophobicContact CG2-CD1 3.85Å; V10-F218 HydrophobicContact CG1-CZ 4.04Å
11G41Very low40.9Very low38 Ų38104.1 Ų104.139%0.39253%0.531SS..Hα-helixtrans-63.1-32.2177.300000113.9N7 I9N7-G11 PolarHBondContact O-N 2.87Å; I9-G11 PolarHBondContact O-N 2.82Å
12R43.4Very low40.8Very low128 Ų12899.6 Ų99.648%0.48352%0.518SS..Hα-helixtrans-75.9-35.5173.4-71.4171.9-179.2-167.22.8112.3Q8 I9 V10 A15Q8-R12 WeakPolarHBondContact O-CB 3.41Å; Q8-R12 VanDerWaalsContact O-CG 3.25Å; Q8-R12 WeakPolarHBondContact O-CG 3.29Å; Q8-R12 PolarHBondContact O-N 3.18Å; Q8-R12 VanDerWaalsContact O-N 3.16Å; I9-R12 PolarHBondContact O-N 3Å; I9-R12 VanDerWaalsContact O-N 3.12Å; V10-R12 VanDerWaalsContact C-N 3.3Å; V10-R12 PolarHBondContact O-N 2.87Å; R12-A15 PolarHBondContact O-N 2.88Å
13V37.4Very low40.7Very low49 Ų4998.3 Ų98.330%0.29752%0.516SS..Hα-helixtrans-70.8-37177.9168.70000111.8I9 V10 A15 I16 I17I9-V13 HydrophobicContact CG2-CG2 4.19Å; I9-V13 WeakPolarHBondContact O-CB 3.44Å; I9-V13 VanDerWaalsContact O-CG2 3.26Å; I9-V13 WeakPolarHBondContact O-CG2 3.45Å; I9-V13 PolarHBondContact O-N 2.77Å; V10-V13 PolarHBondContact O-N 2.86Å; V13-A15 PolarHBondContact O-N 2.75Å; V13-I16 PolarHBondContact O-N 3.12Å; V13-I17 HydrophobicContact CG1-CD1 3.4Å; V13-I17 HydrophobicContact CG1-CG1 3.87Å; V13-I17 PolarHBondContact O-N 3.46Å
14Q37.6Very low40.3Very low106 Ų10694.5 Ų94.550%0.49551%0.51SS..THydrogen-bonded Turntrans-58.3-27.3173.8-79172.2-13.800113.8V10 I16V10-Q14 HydrophobicContact CG1-CG 4.4Å; V10-Q14 VanDerWaalsContact O-CG 3.31Å; V10-Q14 WeakPolarHBondContact O-CG 3.46Å; V10-Q14 PolarHBondContact O-N 3.38Å; Q14-I16 VanDerWaalsContact C-N 3.29Å
15A34Very low39.4Very low87 Ų8797.9 Ų97.972%0.71953%0.533SS*.THydrogen-bonded Turntrans-77.7-11.5176.100000113.7R12 V13R12-A15 PolarHBondContact O-N 2.88Å; V13-A15 PolarHBondContact O-N 2.75Å
16I37.5Very low38.5Very low77 Ų77104.1 Ų104.140%0.39556%0.556SS.*THydrogen-bonded Turntrans-120-36.5-167.3-60.1174.8000112.6V13 Q14 K18 F109 G110V13-I16 PolarHBondContact O-N 3.12Å; Q14-I16 VanDerWaalsContact C-N 3.29Å; I16-K18 PolarHBondContact O-N 3.1Å; I16-F109 HydrophobicContact CG2-CB 3.92Å; I16-G110 WeakPolarHBondContact O-CA 3.24Å
17I33.9Very low37.7Very low74 Ų74105.9 Ų105.938%0.37956%0.562SS.*  trans-90.2106.8-173.8-59.1-173000112.6V13V13-I17 HydrophobicContact CG1-CD1 3.4Å; V13-I17 HydrophobicContact CG1-CG1 3.87Å; V13-I17 PolarHBondContact O-N 3.46Å
18K41.6Very low37.1Very low70 Ų70106.1 Ų106.130%0.30457%0.568SS.*  trans-142.682.5159.8-68.6-165.1-178.5173.20115I16 F266I16-K18 PolarHBondContact O-N 3.1Å; K18-F266 HydrophobicContact CB-CE1 4.42Å; K18-F266 HydrophobicContact CD-CD1 4.1Å; K18-F266 HydrophobicContact CD-CE1 3.3Å; K18-F266 HydrophobicContact CD-CZ 3.61Å; K18-F266 HydrophobicContact CG-CE1 4.42Å
19D41.1Very low36.1Very low83 Ų83110.9 Ų110.944%0.44458%0.581SS.*  trans88112.5133.7-152.64.2000119R269D19-R269 IonicContact OD2-CZ 3.47Å; D19-R269 IonicContact OD2-NE 2.95Å; D19-R269 PolarHBondContact OD2-NE 2.91Å; D19-R269 IonicContact OD2-NH1 2.78Å; D19-R269 PolarHBondContact OD2-NH1 3.14Å; D19-R269 IonicContact OD2-NH2 3.39Å; D19-R269 PolarHBondContact OD2-NH2 3.42Å
20E37.5Very low35.1Very low119 Ų119112.9 Ų112.956%0.55660%0.599SS**  trans-106.7131.6159.9-86.9-164.3119.300110.9S112E20-S112 VanDerWaalsContact CD-CB 3.5Å; E20-S112 VanDerWaalsContact CG-CB 3.49Å; E20-S112 WeakPolarHBondContact OE1-CB 3.48Å; E20-S112 PolarHBondContact OE1-OG 3.44Å
21R38.8Very low34.2Very low224 Ų224121.5 Ų121.585%0.84564%0.635SS**  trans-140.8146.2151.8-76.9-165177.7-168.8-1110.8
22P32.4Very low33.6Very low128 Ų128131.1 Ų131.183%0.83166%0.659SS**  trans-70.1144.7177.9-12.727.9000111.7G24P22-G24 PolarHBondContact O-N 2.89Å
23I33.4Very low33.1Very low168 Ų168134.1 Ų134.186%0.86268%0.676SS**  trans-77.6103.7169.3-60.9175.7000108.4
24G32.8Very low32.6Very low65 Ų65142.6 Ų142.667%0.6770%0.704SS**  trans-71148.5167.400000112.1P22P22-G24 PolarHBondContact O-N 2.89Å
25V28.1Very low32.5Very low133 Ų133144 Ų14481%0.80672%0.72SS**  trans-82.4138.6-174177.50000112.1
26Q27.5Very low32.4Very low189 Ų189144.8 Ų144.888%0.88372%0.72SS**  trans132.3134.7167.7-76.6164.760.900109.2
27E27.3Very low32.3Very low149 Ų149145.6 Ų145.670%0.69674%0.738SS**  cis-112.7141.811-56-179.1131.200113.3R29E27-R29 IonicContact OE2-NE 3.52Å; E27-R29 IonicContact OE2-NH2 2.8Å
28V27.4Very low32.5Very low137 Ų137146.9 Ų146.983%0.8375%0.751SS**  trans-91.7115.4156.5173.60000107.7
29R27.4Very low32.1Very low199 Ų199151.8 Ų151.875%0.75178%0.775SS**PPolyproline II helixtrans-80.8136.2166.9-68.4-170.4177.1-154.7-4.1109.8E27 F31E27-R29 IonicContact OE2-NE 3.52Å; E27-R29 IonicContact OE2-NH2 2.8Å; R29-F31 PolarHBondContact O-N 3.26Å
30P29.4Very low32.1Very low122 Ų122154 Ų15479%0.79279%0.792SS**PPolyproline II helixtrans-72.9131.3-164.9-15.429.8000112.7R32P30-R32 PolarHBondContact O-N 3.07Å
31F27.8Very low32.1Very low206 Ų206153.9 Ų153.990%0.90480%0.801SS**PPolyproline II helixtrans-66.3120.1161.9-110.5-97.9000109.2R29 K33R29-F31 PolarHBondContact O-N 3.26Å; F31-K33 PolarHBondContact O-N 2.9Å; F31-K33 VanDerWaalsContact O-N 3.09Å
32R29.9Very low32.2Very low240 Ų240154.2 Ų154.291%0.90680%0.803SS**  trans-68.7103.6179.3-161.4177.4-168.8177.62.9109.3P30 Y34P30-R32 PolarHBondContact O-N 3.07Å; R32-Y34 PolarHBondContact O-N 2.94Å
33K31.9Very low32.7Very low191 Ų191155.8 Ų155.883%0.8380%0.799SS**  trans-66.4125.5173.7-78.8-176.1175.5179.10109.8F31F31-K33 PolarHBondContact O-N 2.9Å; F31-K33 VanDerWaalsContact O-N 3.09Å
34Y27.9Very low33.1Very low228 Ų228153.4 Ų153.489%0.89479%0.788SS**  trans-67.9130.2156.5-86.2-99.9000108.3R32R32-Y34 PolarHBondContact O-N 2.94Å
35V34.2Very low33.5Very low135 Ų135159.5 Ų159.582%0.81879%0.791SS**  trans-116.6130.5163.2177.90000106.1
36S32Very low34.3Very low103 Ų103160.6 Ų160.672%0.7279%0.785SS**  trans-102.9157.5-174.1-56.30000111.6
37A36.7Very low35Very low94 Ų94161.5 Ų161.578%0.77778%0.78SS**  trans78.5151.716200000117.9
38P36.9Very low35.8Very low101 Ų101163.5 Ų163.566%0.65679%0.786SS**  cis-139173.7-36.436.8-20.5000114.6
39E34.9Very low36.5Very low174 Ų174160.4 Ų160.481%0.81378%0.775SS**  trans63.8145.3154.5-73159.7-146.500119
40T41.1Very low37.3Very low129 Ų129158.2 Ų158.279%0.79177%0.773SS**  cis-147.7168.1-4.221.50000110.3
41P37.2Very low38.1Very low116 Ų116159.3 Ų159.375%0.75377%0.767SS**  trans-110158-160.839.7-33.2000115.9
42R40Very low38.7Very low231 Ų231155.6 Ų155.687%0.87276%0.757SS**  trans-152.2131.6154.9-75.5-158.2176.2-171.9-1.3113.3
43H42.5Very low39.1Very low161 Ų161150.8 Ų150.875%0.74575%0.745SS**  trans53140.5139.6-74.5-84.3000120.5
44D42.1Very low39.5Very low119 Ų119149.6 Ų149.664%0.63674%0.74SS**  cis-169.8176.6-2.6-153.4-42.1000109.7
45R42.5Very low39.9Very low193 Ų193144.5 Ų144.573%0.72873%0.734SS**  trans80.7103.8153.7-68.5179.7178.5-168.7-0.9121.3
46K43.7Very low40.3Very low156 Ų156144.3 Ų144.368%0.67874%0.736SS**  65139.2114.2-68.6171.2-173.91730117.7
47R42.2Very low40.7Very low207 Ų207145.3 Ų145.378%0.78174%0.743SS**  cis-169.9146.620.9-127.6167-175.1-158.32.1111.4
48K43.8Very low40.7Very low191 Ų191148.9 Ų148.983%0.8374%0.744SS**  trans42.6149.1140.1-77-174.9167.4-167.20120.8
49A43.5Very low40.8Very low72 Ų72153.5 Ų153.560%0.59575%0.753SS**  cis-149.6153.219.200000111.6
50Q44.4Very low40.6Very low154 Ų154151.5 Ų151.572%0.7275%0.747SS**  58.9130.2110.2-63.2-178.3-82.100115.5
51H44.6Very low40.1Very low144 Ų144156.2 Ų156.267%0.66775%0.75SS**  cis-153.3-177.813.2-111.2-154.5000107.8
52D41.3Very low39.8Very low128 Ų128160.2 Ų160.268%0.68475%0.75SS**  cis-154.8-165.27.8-134.3-37.7000112.8
53E38.1Very low39.4Very low140 Ų140154.6 Ų154.665%0.65474%0.738SS**  trans-57.4165.7171-49.5-165.1112.400116.6
54K39.9Very low38.9Very low166 Ų166155.1 Ų155.172%0.72274%0.741SS**  cis-165.2154.421.5-140.9155.4-164.6147.80111.8
55P37.6Very low38.4Very low120 Ų120153.7 Ų153.778%0.77974%0.74SS**  trans-116.3-159.3-174.548.8-38.2000113.5
56P41.2Very low37.8Very low131 Ų131153.4 Ų153.485%0.85175%0.747SS**  -120.1179.9-121.927.6-2.4000116.2
57S41Very low37.3Very low124 Ų124150.7 Ų150.787%0.86775%0.754SS**  trans-129.9145.5-178.658.80000115.2
58Q35.5Very low36.8Very low170 Ų170147.2 Ų147.279%0.79476%0.761SS**  trans-99161-177.4-61.3167.7-68.100113.9
59K39.4Very low36.2Very low197 Ų197141.5 Ų141.586%0.85776%0.757SS**  trans166.4114.9149.4-91.4154.7-173.4-176.50106.6
60I30.2Very low35.4Very low133 Ų133147.6 Ų147.668%0.68277%0.769SS**  cis61.9103.744.7-51.2-179.5000114.4
61W32Very low34.7Very low227 Ų227151.3 Ų151.386%0.8678%0.777SS**  trans-166.6123.6139.5-76104.5000105.7
62R31.2Very low34Very low200 Ų200151.3 Ų151.376%0.75579%0.787SS**  56.3137.473.8-88.7-166.3-172.4-125.96.6113.4
63N30.7Very low33.4Very low114 Ų114156.8 Ų156.861%0.6180%0.798SS**  cis-165.6-178.31.1-142.325.4000110.6
64E32.5Very low33Very low172 Ų172153.7 Ų153.780%0.80480%0.803SS**  trans70.1152.7159.9-65.3174120.200118.9
65S30.9Very low32.5Very low88 Ų88149.5 Ų149.562%0.61581%0.807SS**  cis-161.6154.3-18.9-99.80000111.6
66Q31.1Very low32Very low187 Ų187149.7 Ų149.787%0.87481%0.807SS**  trans33.5122154.9-64.8173-48.700121.5
67A32.7Very low31.5Very low100 Ų100147.9 Ų147.983%0.82680%0.803SS**  164.4137.2104.600000115.1
68S31.2Very low30.9Very low133 Ų133144.2 Ų144.293%0.9378%0.784SS**  trans-16.9138.8162.2-1720000119.9
69G30.6Very low30.6Very low72 Ų72141 Ų14174%0.74279%0.787SS**  trans161.997.2155.300000119.3
70K28.1Very low30.1Very low199 Ų199134.4 Ų134.487%0.86577%0.774SS**  trans-16.8126159.1-56.3167.9-179.1176.20117.2
71R29.3Very low30.3Very low233 Ų233135.2 Ų135.288%0.87978%0.779SS**  175141.7113.1-99173.5-103.6-136.43.2115.4
72V29.5Very low30.3Very low144 Ų144131.3 Ų131.387%0.87377%0.774SS**  trans-73128.1160.3172.20000109.6
73R29.6Very low30.4Very low242 Ų242123.2 Ų123.291%0.91375%0.749SS**  trans-168.1141.3161.1-113.4176-166.1-155.82.2111.7
74G29.8Very low30.3Very low75 Ų75120.8 Ų120.877%0.77374%0.741SS**  trans161.529.8174.800000116.4T76G74-T76 PolarHBondContact O-N 2.98Å
75G28.4Very low30.3Very low78 Ų78121.2 Ų121.280%0.80474%0.743SS**  trans-68.7123.7-177.400000112.9A77G75-A77 PolarHBondContact O-N 2.79Å
76T27.2Very low30.3Very low125 Ų125123 Ų12377%0.76775%0.751SS**  trans-77.483.4177.536.60000111.8G74 G78 R166G74-T76 PolarHBondContact O-N 2.98Å; T76-G78 VanDerWaalsContact C-N 3.25Å; T76-G78 PolarHBondContact O-N 3.3Å; T76-R166 PolarHBondContact O-NH2 2.94Å
77A30.2Very low30.6Very low93 Ų93119.1 Ų119.177%0.76973%0.734SS**  trans-72.27417200000111.8G75 A79G75-A77 PolarHBondContact O-N 2.79Å; A77-A79 PolarHBondContact O-N 2.69Å
78G28.9Very low31Very low46 Ų46117.4 Ų117.447%0.47471%0.71SS.*  trans-56.3128.9165.200000110.1T76 G80 R166T76-G78 VanDerWaalsContact C-N 3.25Å; T76-G78 PolarHBondContact O-N 3.3Å; G78-G80 PolarHBondContact O-N 2.88Å; G78-R166 PolarHBondContact O-NH1 3.18Å
79A29.3Very low31.4Very low104 Ų104114.2 Ų114.286%0.8670%0.699SS**  trans-62103.7-176.400000110.5A77A77-A79 PolarHBondContact O-N 2.69Å
80G29.4Very low32.9Very low57 Ų57113.6 Ų113.659%0.58869%0.686SS**  trans-66.8141.7161.700000108.4G78 L82G78-G80 PolarHBondContact O-N 2.88Å; G80-L82 PolarHBondContact O-N 3.33Å
81I33.3Very low34.8Very low151 Ų151106.8 Ų106.877%0.77466%0.659SS**  trans-66.389165.1-57.9171.9000105.9A83I81-A83 PolarHBondContact O-N 2.77Å
82L32.5Very low37.2Very low145 Ų14596.9 Ų96.976%0.75963%0.625SS**  trans-66.2114.5165.9-77.4167.7000106G80 S84G80-L82 PolarHBondContact O-N 3.33Å; L82-S84 PolarHBondContact O-N 2.8Å; L82-S84 VanDerWaalsContact O-N 3.11Å
83A33.2Very low39.8Very low29 Ų2991.7 Ų91.724%0.2459%0.593CS.*  trans-52119.8159.500000106.9I81 M87 I88I81-A83 PolarHBondContact O-N 2.77Å; A83-M87 HydrophobicContact CB-CB 4.14Å; A83-I88 HydrophobicContact CB-CG1 4.22Å
84S28.6Very low42.5Very low63 Ų6381.4 Ų81.444%0.44156%0.557SS.*  trans-56.9150.617052.10000108.3L82 T86 M87L82-S84 PolarHBondContact O-N 2.8Å; L82-S84 VanDerWaalsContact O-N 3.11Å; S84-T86 PolarHBondContact O-N 2.97Å; S84-M87 WeakPolarHBondContact O-CB 3.32Å; S84-M87 PolarHBondContact O-N 3.44Å; S84-M87 WeakPolarHBondContact OG-CG 3.27Å
85Q33.7Very low45.4Very low181 Ų18181 Ų8185%0.84654%0.535SS*.Hα-helixtrans-53.2-29.3-179.1-73.1171.6-3500112.3M87 I88Q85-M87 VanDerWaalsContact C-N 3.33Å; Q85-M87 PolarHBondContact O-N 2.63Å; Q85-I88 PolarHBondContact O-N 3.1Å
86T30.5Very low48.3Very low126 Ų12677.4 Ų77.477%0.77350%0.498SS*.Hα-helixtrans-60.6-31.9172.4-13.60000114.7S84S84-T86 PolarHBondContact O-N 2.97Å
87M37.4Very low51.5Low106 Ų10674.6 Ų74.652%0.52248%0.476SS..Hα-helixtrans-81.6-27.5-179.3-68.1-70.5-70.700112.7A83 S84 Q85 G89 A90 L91A83-M87 HydrophobicContact CB-CB 4.14Å; S84-M87 WeakPolarHBondContact O-CB 3.32Å; S84-M87 PolarHBondContact O-N 3.44Å; S84-M87 WeakPolarHBondContact OG-CG 3.27Å; Q85-M87 VanDerWaalsContact C-N 3.33Å; Q85-M87 PolarHBondContact O-N 2.63Å; M87-G89 VanDerWaalsContact C-N 3.32Å; M87-G89 PolarHBondContact O-N 3.17Å; M87-A90 PolarHBondContact O-N 3.38Å; M87-A90 VanDerWaalsContact O-N 3.1Å; M87-L91 PolarHBondContact O-N 3.34Å
88I40.4Very low54.6Low64 Ų6470.2 Ų70.233%0.32844%0.44SS..Hα-helixtrans-63.7-39.2-176-58.5176.7000110.7A83 Q85 A90 L91 T93 F171A83-I88 HydrophobicContact CB-CG1 4.22Å; Q85-I88 PolarHBondContact O-N 3.1Å; I88-A90 PolarHBondContact O-N 2.93Å; I88-L91 PolarHBondContact O-N 2.83Å; I88-L91 VanDerWaalsContact O-N 3.11Å; I88-T93 HydrophobicContact CG2-CG2 4.17Å; I88-T93 PolarHBondContact O-OG1 2.98Å; I88-F171 HydrophobicContact CG2-CE1 4.46Å
89G40.4Very low57.7Low66 Ų6670.5 Ų70.568%0.6843%0.43SS*.THydrogen-bonded Turntrans-66.9-14.617600000115.3M87M87-G89 VanDerWaalsContact C-N 3.32Å; M87-G89 PolarHBondContact O-N 3.17Å
90A60.7Low60.6Low58 Ų5868.4 Ų68.448%0.47942%0.419SS..THydrogen-bonded Turntrans-90.6-17.8173.800000112.9M87 I88M87-A90 PolarHBondContact O-N 3.38Å; M87-A90 VanDerWaalsContact O-N 3.1Å; I88-A90 PolarHBondContact O-N 2.93Å
91L69Low63.6Low57 Ų5766.4 Ų66.430%0.29840%0.398SS..SBendtrans-93.1145.4-177.2-68174.4000111M87 I88 T93 L106 F171M87-L91 PolarHBondContact O-N 3.34Å; I88-L91 PolarHBondContact O-N 2.83Å; I88-L91 VanDerWaalsContact O-N 3.11Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 2.96Å; L91-T93 PolarHBondContact O-OG1 3.44Å; L91-T93 VanDerWaalsContact O-OG1 3.08Å; L91-L106 HydrophobicContact CB-CD1 3.83Å; L91-F171 HydrophobicContact CB-CZ 4.4Å; L91-F171 HydrophobicContact CD1-CE2 3.9Å; L91-F171 HydrophobicContact CD1-CZ 3.76Å
92P79.8Confident66.5Low24 Ų2465.4 Ų65.416%0.15639%0.39CS..  trans-68.981.5178.331-38.1000111.4L106 V107 I188 V194P92-L106 HydrophobicContact CG-CD1 3.92Å; P92-V107 HydrophobicContact CB-CB 4.46Å; P92-V107 WeakPolarHBondContact CG-O 3.47Å; P92-V107 PolarHBondContact O-N 3.31Å; P92-I188 HydrophobicContact CB-CD1 3.53Å; P92-I188 HydrophobicContact CG-CD1 4.45Å; P92-V194 HydrophobicContact CB-CG2 4.19Å
93T83.2Confident69.5Low35 Ų3561.7 Ų61.722%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-107.2140.4-170.9-51.60000110.6I88 L91 V105 F171I88-T93 HydrophobicContact CG2-CG2 4.17Å; I88-T93 PolarHBondContact O-OG1 2.98Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 2.96Å; L91-T93 PolarHBondContact O-OG1 3.44Å; L91-T93 VanDerWaalsContact O-OG1 3.08Å; T93-V105 CarbonylContact C-O 3.56Å; T93-V105 VanDerWaalsContact CA-O 3.3Å; T93-V105 WeakPolarHBondContact CA-O 3.23Å; T93-F171 HydrophobicContact CG2-CD1 4.36Å; T93-F171 HydrophobicContact CG2-CE1 3.74Å
94V87.1Confident72.2Confident26 Ų2664 Ų6416%0.15837%0.374CS..EExtended strand (participates in β ladder)trans-150.5152.3-179.556.70000111V96 V105 V107 V194 F196V94-V96 HydrophobicContact CG1-CG2 3.82Å; V94-V96 HydrophobicContact CG2-CG2 4.18Å; V94-V105 HydrophobicContact CG1-CB 4.31Å; V94-V105 HydrophobicContact CG1-CG1 4.41Å; V94-V105 PolarHBondContact N-O 2.97Å; V94-V105 WeakPolarHBondContact O-CA 3.16Å; V94-V105 WeakPolarHBondContact O-CB 3.35Å; V94-V105 PolarHBondContact O-N 2.82Å; V94-V107 HydrophobicContact CG1-CG2 4.07Å; V94-V194 HydrophobicContact CB-CB 3.96Å; V94-V194 HydrophobicContact CB-CG1 4.5Å; V94-V194 HydrophobicContact CB-CG2 4.21Å; V94-V194 HydrophobicContact CG1-CB 4.1Å; V94-V194 HydrophobicContact CG1-CG1 4.17Å; V94-V194 HydrophobicContact CG1-CG2 4.22Å; V94-V194 HydrophobicContact CG2-CB 4.36Å; V94-F196 HydrophobicContact CG1-CE2 4.07Å; V94-F196 HydrophobicContact CG1-CZ 4.1Å; V94-F196 HydrophobicContact CG2-CE2 4.12Å
95Q90.4Very high75.1Confident67 Ų6761 Ų6131%0.31335%0.354SS..EExtended strand (participates in β ladder)trans-87.6124.6169-68.8-7683.500108.7E102 R103 N104Q95-E102 HydrophobicContact CB-CG 4.18Å; Q95-E102 WeakPolarHBondContact CG-OE1 3.48Å; Q95-E102 PolarHBondContact NE2-OE1 2.99Å; Q95-R103 WeakPolarHBondContact CA-O 3.22Å; Q95-R103 VanDerWaalsContact OE1-C 3.26Å; Q95-R103 PolarHBondContact OE1-O 2.82Å; Q95-R103 VanDerWaalsContact OE1-O 3.11Å; Q95-N104 PolarHBondContact OE1-ND2 3.45Å; Q95-N104 PolarHBondContact OE1-OD1 3Å
96V90.4Very high77.7Confident3 Ų352.8 Ų52.82%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-133.5142.8-179.71790000108.1V94 R103 V105 L149 Q150 F196V94-V96 HydrophobicContact CG1-CG2 3.82Å; V94-V96 HydrophobicContact CG2-CG2 4.18Å; V96-R103 PolarHBondContact N-O 3.07Å; V96-R103 PolarHBondContact O-N 2.94Å; V96-V105 HydrophobicContact CB-CB 4.47Å; V96-V105 HydrophobicContact CB-CG2 3.91Å; V96-V105 HydrophobicContact CG2-CB 4.26Å; V96-V105 HydrophobicContact CG2-CG2 4.24Å; V96-L149 HydrophobicContact CG1-CB 4.46Å; V96-Q150 WeakPolarHBondContact CG1-O 3.37Å; V96-F196 HydrophobicContact CG2-CE2 3.95Å; V96-F196 HydrophobicContact CG2-CZ 4.12Å
97E93.4Very high80.4Confident66 Ų6646.9 Ų46.931%0.30828%0.279SS..EExtended strand (participates in β ladder)trans-77.3126.9171.3-162.4-157.5101.700109.7G100 G101 L149 Q150E97-G100 VanDerWaalsContact OE1-CA 3.23Å; E97-G100 WeakPolarHBondContact OE1-CA 3.31Å; E97-G100 PolarHBondContact OE1-N 2.77Å; E97-G101 WeakPolarHBondContact CA-O 2.98Å; E97-L149 CarbonylContact O-C 3.6Å; E97-L149 WeakPolarHBondContact O-CA 3.33Å; E97-Q150 HydrophobicContact CB-CB 4.02Å; E97-Q150 HydrophobicContact CB-CG 4.3Å; E97-Q150 PolarHBondContact N-O 2.91Å; E97-Q150 PolarHBondContact O-N 3.03Å; E97-Q150 WeakPolarHBondContact OE1-CG 3.49Å; E97-Q150 PolarHBondContact OE1-NE2 2.92Å
98V94.6Very high82.6Confident0 Ų044 Ų440%027%0.266CS..EExtended strand (participates in β ladder)trans-127.3117.3178.7-172.30000108.2G100 G101 R103 V147 Q148 L149 V173V98-G100 VanDerWaalsContact C-N 3.25Å; V98-G100 PolarHBondContact O-N 2.91Å; V98-G101 PolarHBondContact N-O 2.84Å; V98-G101 PolarHBondContact O-N 2.8Å; V98-R103 HydrophobicContact CB-CG 3.82Å; V98-R103 HydrophobicContact CG2-CB 3.98Å; V98-R103 HydrophobicContact CG2-CG 3.84Å; V98-V147 HydrophobicContact CG1-CB 3.7Å; V98-V147 HydrophobicContact CG1-CG1 3.93Å; V98-V147 HydrophobicContact CG1-CG2 3.86Å; V98-Q148 WeakPolarHBondContact CA-O 3.29Å; V98-L149 HydrophobicContact CG1-CD2 4.24Å; V98-L149 HydrophobicContact CG2-CD2 3.89Å; V98-V173 HydrophobicContact CG1-CG2 4.3Å; V98-V173 HydrophobicContact CG2-CG2 4.17Å
99D94.1Very high84.1Confident52 Ų5243.7 Ų43.728%0.27826%0.262SS..THydrogen-bonded Turntrans4942.5-175.2-70.1-9.1000113.1A122 V147 Q148D99-A122 HydrophobicContact CB-CB 4.23Å; D99-A122 WeakPolarHBondContact OD2-CB 3.14Å; D99-A122 PolarHBondContact OD2-N 2.95Å; D99-V147 VanDerWaalsContact OD1-CA 3.27Å; D99-V147 WeakPolarHBondContact OD1-CA 3.34Å; D99-Q148 PolarHBondContact N-O 2.89Å; D99-Q148 PolarHBondContact OD1-N 2.59Å
100G91.2Very high85.4Confident61 Ų6142.4 Ų42.463%0.62925%0.249SC*.THydrogen-bonded Turntrans84.51179.200000115.6E97 V98E97-G100 VanDerWaalsContact OE1-CA 3.23Å; E97-G100 WeakPolarHBondContact OE1-CA 3.31Å; E97-G100 PolarHBondContact OE1-N 2.77Å; V98-G100 VanDerWaalsContact C-N 3.25Å; V98-G100 PolarHBondContact O-N 2.91Å
101G92.6Very high85.9Confident14 Ų1440.6 Ų40.614%0.14423%0.233CC..EExtended strand (participates in β ladder)trans-121.9135.6178.500000113.2E97 V98E97-G101 WeakPolarHBondContact CA-O 2.98Å; V98-G101 PolarHBondContact N-O 2.84Å; V98-G101 PolarHBondContact O-N 2.8Å
102E93.4Very high86.1Confident130 Ų13040.1 Ų40.161%0.60723%0.234SC*.EExtended strand (participates in β ladder)trans-63.9133.1172.6-165.3-174.1175.500111Q95Q95-E102 HydrophobicContact CB-CG 4.18Å; Q95-E102 WeakPolarHBondContact CG-OE1 3.48Å; Q95-E102 PolarHBondContact NE2-OE1 2.99Å
103R94.5Very high86.3Confident67 Ų6742.8 Ų42.825%0.25324%0.243SC..EExtended strand (participates in β ladder)trans-136.1147.3-175.9-63.5-57.3175.1-103.3-1.4112Q95 V96 V98 V105 D172Q95-R103 WeakPolarHBondContact CA-O 3.22Å; Q95-R103 VanDerWaalsContact OE1-C 3.26Å; Q95-R103 PolarHBondContact OE1-O 2.82Å; Q95-R103 VanDerWaalsContact OE1-O 3.11Å; V96-R103 PolarHBondContact N-O 3.07Å; V96-R103 PolarHBondContact O-N 2.94Å; V98-R103 HydrophobicContact CB-CG 3.82Å; V98-R103 HydrophobicContact CG2-CB 3.98Å; V98-R103 HydrophobicContact CG2-CG 3.84Å; R103-V105 HydrophobicContact CB-CG2 4.13Å; R103-V105 PolarHBondContact O-N 3.29Å; R103-D172 HydrophobicContact CB-CB 3.84Å; R103-D172 HydrophobicContact CG-CB 4.24Å
104N90.3Very high86.7Confident78 Ų7841.1 Ų41.142%0.41723%0.233SC..EExtended strand (participates in β ladder)trans-79.5113170.9-72.1-98000109.3Q95 D172Q95-N104 PolarHBondContact OE1-ND2 3.45Å; Q95-N104 PolarHBondContact OE1-OD1 3Å; N104-D172 PolarHBondContact N-OD2 3.21Å; N104-D172 WeakPolarHBondContact O-CB 3.33Å; N104-D172 PolarHBondContact O-N 3.39Å
105V90.6Very high86.9Confident0 Ų040.1 Ų40.10%023%0.227CC..EExtended strand (participates in β ladder)trans-116.4132.6-170.3175.10000111.7T93 V94 V96 R103 V173 L175T93-V105 CarbonylContact C-O 3.56Å; T93-V105 VanDerWaalsContact CA-O 3.3Å; T93-V105 WeakPolarHBondContact CA-O 3.23Å; V94-V105 HydrophobicContact CG1-CB 4.31Å; V94-V105 HydrophobicContact CG1-CG1 4.41Å; V94-V105 PolarHBondContact N-O 2.97Å; V94-V105 WeakPolarHBondContact O-CA 3.16Å; V94-V105 WeakPolarHBondContact O-CB 3.35Å; V94-V105 PolarHBondContact O-N 2.82Å; V96-V105 HydrophobicContact CB-CB 4.47Å; V96-V105 HydrophobicContact CB-CG2 3.91Å; V96-V105 HydrophobicContact CG2-CB 4.26Å; V96-V105 HydrophobicContact CG2-CG2 4.24Å; R103-V105 HydrophobicContact CB-CG2 4.13Å; R103-V105 PolarHBondContact O-N 3.29Å; V105-V173 WeakPolarHBondContact CA-O 3.3Å; V105-V173 HydrophobicContact CG2-CB 4.13Å; V105-L175 HydrophobicContact CG1-CB 4.32Å; V105-L175 HydrophobicContact CG1-CD1 3.64Å; V105-L175 HydrophobicContact CG1-CD2 4.37Å; V105-L175 HydrophobicContact CG1-CG 3.44Å; V105-L175 VanDerWaalsContact CG1-CG 3.44Å
106L88.8Confident87Confident8 Ų837 Ų374%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-95.2127.2166.9177.367.1000109.6L91 P92 D108 L169 F171 V173 I174 L175L91-L106 HydrophobicContact CB-CD1 3.83Å; P92-L106 HydrophobicContact CG-CD1 3.92Å; L106-D108 HydrophobicContact CD2-CB 4.49Å; L106-D108 HydrophobicContact CG-CB 4.48Å; L106-L169 HydrophobicContact CD2-CD1 4.16Å; L106-F171 HydrophobicContact CB-CB 4.3Å; L106-F171 HydrophobicContact CB-CD1 3.79Å; L106-F171 HydrophobicContact CB-CD2 3.79Å; L106-F171 HydrophobicContact CB-CE1 4.01Å; L106-F171 HydrophobicContact CB-CE2 4.03Å; L106-F171 HydrophobicContact CB-CG 3.67Å; L106-F171 HydrophobicContact CB-CZ 4.13Å; L106-F171 HydrophobicContact CD1-CE2 4.3Å; L106-F171 HydrophobicContact CD1-CZ 4.11Å; L106-F171 HydrophobicContact CD2-CD2 4.02Å; L106-F171 HydrophobicContact CD2-CE2 3.92Å; L106-F171 HydrophobicContact CG-CD2 4.44Å; L106-F171 HydrophobicContact CG-CE2 4.32Å; L106-V173 PolarHBondContact N-O 3.23Å; L106-I174 HydrophobicContact CB-CG1 4.31Å; L106-I174 HydrophobicContact CD2-CD1 4.34Å; L106-I174 HydrophobicContact CD2-CG1 4.27Å; L106-I174 CarbonylContact O-C 3.59Å; L106-I174 WeakPolarHBondContact O-CA 3.07Å; L106-L175 PolarHBondContact O-N 2.8Å
107V86.9Confident87.2Confident2 Ų238 Ų381%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-87.7107168.7179.50000109.4P92 V94 F109 L175 V180 V186 V194 F196P92-V107 HydrophobicContact CB-CB 4.46Å; P92-V107 WeakPolarHBondContact CG-O 3.47Å; P92-V107 PolarHBondContact O-N 3.31Å; V94-V107 HydrophobicContact CG1-CG2 4.07Å; V107-F109 HydrophobicContact CG1-CD2 4.45Å; V107-F109 HydrophobicContact CG1-CE1 4.27Å; V107-F109 HydrophobicContact CG1-CE2 4.08Å; V107-F109 HydrophobicContact CG1-CZ 3.97Å; V107-L175 HydrophobicContact CG2-CD1 4.5Å; V107-V180 HydrophobicContact CG1-CG2 4.45Å; V107-V186 HydrophobicContact CG1-CG1 4.18Å; V107-V194 HydrophobicContact CG2-CG1 3.93Å; V107-V194 HydrophobicContact CG2-CG2 4.13Å; V107-F196 HydrophobicContact CG2-CZ 4.31Å
108D82.8Confident87.2Confident47 Ų4737 Ų3725%0.25122%0.215SC..  trans-114.796.3-179.8-174.44.6000110.3L106 G110 C111 I174 L175L106-D108 HydrophobicContact CD2-CB 4.49Å; L106-D108 HydrophobicContact CG-CB 4.48Å; D108-G110 PolarHBondContact O-N 2.8Å; D108-G110 VanDerWaalsContact OD1-CA 3.3Å; D108-G110 WeakPolarHBondContact OD1-CA 3.28Å; D108-G110 PolarHBondContact OD1-N 2.97Å; D108-C111 HydrophobicContact CB-CB 3.8Å; D108-C111 WeakPolarHBondContact O-CA 3.41Å; D108-C111 VanDerWaalsContact O-CB 3.29Å; D108-C111 WeakPolarHBondContact O-CB 3.39Å; D108-C111 PolarHBondContact O-N 3.4Å; D108-C111 PolarHBondContact OD1-N 2.88Å; D108-I174 HydrophobicContact CB-CG2 3.48Å; D108-I174 VanDerWaalsContact CB-CG2 3.48Å; D108-L175 PolarHBondContact N-O 2.98Å
109F71.2Confident87.1Confident57 Ų5741.2 Ų41.225%0.2524%0.244CC..THydrogen-bonded Turntrans-65.4-13.6172.6-56.6-78.3000113.2I16 V107 C111 M177 V180 V186 I188I16-F109 HydrophobicContact CG2-CB 3.92Å; V107-F109 HydrophobicContact CG1-CD2 4.45Å; V107-F109 HydrophobicContact CG1-CE1 4.27Å; V107-F109 HydrophobicContact CG1-CE2 4.08Å; V107-F109 HydrophobicContact CG1-CZ 3.97Å; F109-C111 VanDerWaalsContact C-N 3.29Å; F109-M177 HydrophobicContact CB-SD 4.15Å; F109-M177 HydrophobicContact CD1-SD 3.92Å; F109-V180 HydrophobicContact CD1-CG1 4.28Å; F109-V180 HydrophobicContact CD1-CG2 3.84Å; F109-V180 HydrophobicContact CE1-CB 4.45Å; F109-V180 HydrophobicContact CE1-CG1 3.85Å; F109-V180 HydrophobicContact CE1-CG2 3.73Å; F109-V186 HydrophobicContact CE1-CB 4.23Å; F109-V186 HydrophobicContact CZ-CB 4.16Å; F109-V186 HydrophobicContact CZ-CG1 4.07Å; F109-I188 HydrophobicContact CE2-CD1 3.56Å; F109-I188 HydrophobicContact CE2-CG1 4.26Å; F109-I188 HydrophobicContact CZ-CD1 4.13Å; F109-I188 HydrophobicContact CZ-CG1 4.45Å
110G68.8Low87.1Confident38 Ų3838.9 Ų38.939%0.39223%0.232SC..THydrogen-bonded Turntrans-80.2-11.4168.200000112.8I16 D108I16-G110 WeakPolarHBondContact O-CA 3.24Å; D108-G110 PolarHBondContact O-N 2.8Å; D108-G110 VanDerWaalsContact OD1-CA 3.3Å; D108-G110 WeakPolarHBondContact OD1-CA 3.28Å; D108-G110 PolarHBondContact OD1-N 2.97Å
111C71.4Confident87.2Confident21 Ų2136.5 Ų36.514%0.14221%0.206CC..  trans-91.3132.9178.3-1550000111.9D108 F109 K113 I174 G176 M177D108-C111 HydrophobicContact CB-CB 3.8Å; D108-C111 WeakPolarHBondContact O-CA 3.41Å; D108-C111 VanDerWaalsContact O-CB 3.29Å; D108-C111 WeakPolarHBondContact O-CB 3.39Å; D108-C111 PolarHBondContact O-N 3.4Å; D108-C111 PolarHBondContact OD1-N 2.88Å; F109-C111 VanDerWaalsContact C-N 3.29Å; C111-K113 PolarHBondContact SG-O 3.26Å; C111-I174 HydrophobicContact CB-CG2 4.03Å; C111-G176 CarbonylContact O-C 3.58Å; C111-G176 WeakPolarHBondContact O-CA 3.41Å; C111-M177 PolarHBondContact O-N 2.93Å
112S71.7Confident87.1Confident47 Ų4740.2 Ų40.233%0.32924%0.235SC..SBendtrans-68-68.3-176.8147.40000112.3E20E20-S112 VanDerWaalsContact CD-CB 3.5Å; E20-S112 VanDerWaalsContact CG-CB 3.49Å; E20-S112 WeakPolarHBondContact OE1-CB 3.48Å; E20-S112 PolarHBondContact OE1-OG 3.44Å
113K84.6Confident86.9Confident80 Ų8037.5 Ų37.535%0.34823%0.23SC..SBendtrans-110.9150.1175.7-71.9-74.9-169.6172.90108.4C111 D160 V162 N178C111-K113 PolarHBondContact SG-O 3.26Å; K113-D160 HydrophobicContact CD-CB 4.24Å; K113-D160 IonicContact NZ-OD2 2.86Å; K113-D160 PolarHBondContact NZ-OD2 2.95Å; K113-V162 HydrophobicContact CB-CG2 4.19Å; K113-N178 WeakPolarHBondContact CA-OD1 3.32Å; K113-N178 HydrophobicContact CD-CB 4.31Å
114C91Very high86.9Confident0 Ų038.9 Ų38.90%024%0.235CC..EExtended strand (participates in β ladder)trans-55.3142.8169.6-65.10000111.4V159 V161 V162 I174 G176 N178 A179C114-V159 HydrophobicContact CB-CG2 4.46Å; C114-V161 HydrophobicContact CB-CG1 3.72Å; C114-V161 CarbonylContact O-C 3.54Å; C114-V161 WeakPolarHBondContact O-CA 3.1Å; C114-V162 PolarHBondContact O-N 2.87Å; C114-I174 CarbonylContact C-O 3.56Å; C114-I174 WeakPolarHBondContact CA-O 3.45Å; C114-G176 PolarHBondContact SG-N 2.71Å; C114-G176 VanDerWaalsContact SG-N 3.41Å; C114-N178 PolarHBondContact N-OD1 3.11Å; C114-N178 PolarHBondContact SG-OD1 2.89Å; C114-A179 WeakPolarHBondContact SG-CB 3.35Å
115V91.7Very high87Confident5 Ų542.9 Ų42.93%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-120.7117176.9-174.40000108.1I131 V162 T164 P168 V173 I174V115-I131 HydrophobicContact CB-CD1 4.17Å; V115-I131 HydrophobicContact CG1-CD1 3.45Å; V115-I131 VanDerWaalsContact CG1-CD1 3.45Å; V115-I131 HydrophobicContact CG2-CD1 3.57Å; V115-I131 HydrophobicContact CG2-CG1 4.31Å; V115-V162 WeakPolarHBondContact CA-O 3.47Å; V115-T164 HydrophobicContact CG1-CG2 3.55Å; V115-P168 HydrophobicContact CB-CG 4.35Å; V115-P168 HydrophobicContact CG1-CB 4.01Å; V115-P168 HydrophobicContact CG1-CG 3.92Å; V115-V173 CarbonylContact O-C 3.57Å; V115-V173 WeakPolarHBondContact O-CA 3.38Å; V115-I174 HydrophobicContact CB-CB 4.32Å; V115-I174 PolarHBondContact N-O 2.94Å; V115-I174 PolarHBondContact O-N 2.81Å
116A94.1Very high87.1Confident0 Ų051.3 Ų51.30%028%0.281CS..EExtended strand (participates in β ladder)trans-114.1144.7-178.600000110.7C121 V161 V162 V163 T164 V173A116-C121 WeakPolarHBondContact CB-SG 3.37Å; A116-V161 HydrophobicContact CB-CB 4Å; A116-V161 HydrophobicContact CB-CG1 4.02Å; A116-V161 HydrophobicContact CB-CG2 4.25Å; A116-V162 PolarHBondContact N-O 3.21Å; A116-V163 CarbonylContact O-C 3.53Å; A116-V163 WeakPolarHBondContact O-CA 3.11Å; A116-T164 PolarHBondContact O-N 2.65Å; A116-T164 PolarHBondContact O-OG1 3.07Å; A116-V173 HydrophobicContact CB-CG1 4.38Å; A116-V173 HydrophobicContact CB-CG2 4.04Å
117Q93.2Very high87Confident26 Ų2652.4 Ų52.412%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-76.1146.1165.8177.2-80.9-7.300109.7S119 C120 T164 K167 D172Q117-S119 VanDerWaalsContact C-N 3.31Å; Q117-S119 VanDerWaalsContact CD-OG 3.23Å; Q117-S119 PolarHBondContact NE2-OG 3.06Å; Q117-S119 PolarHBondContact O-N 2.5Å; Q117-S119 VanDerWaalsContact O-N 3.12Å; Q117-S119 PolarHBondContact OE1-OG 3.41Å; Q117-C120 VanDerWaalsContact O-CB 3.29Å; Q117-C120 WeakPolarHBondContact O-CB 3.44Å; Q117-C120 PolarHBondContact O-N 3.13Å; Q117-T164 CarbonylContact C-O 3.53Å; Q117-T164 WeakPolarHBondContact CA-O 3.47Å; Q117-K167 HydrophobicContact CB-CG 4.42Å; Q117-K167 HydrophobicContact CG-CG 4.21Å; Q117-D172 PolarHBondContact N-O 2.81Å
118V93.6Very high86.5Confident45 Ų4558.6 Ų58.627%0.27333%0.33SS..G310 helixtrans-56.8-29.1-16766.40000116.4C120 C121 W124 V163 T164V118-C120 PolarHBondContact O-N 2.85Å; V118-C121 PolarHBondContact O-N 3.18Å; V118-W124 HydrophobicContact CG2-CH2 4.43Å; V118-W124 HydrophobicContact CG2-CZ2 3.55Å; V118-V163 HydrophobicContact CB-CG1 3.84Å; V118-V163 HydrophobicContact CG2-CG1 3.96Å; V118-T164 PolarHBondContact N-O 2.9Å
119S93.1Very high86Confident87 Ų8757.7 Ų57.761%0.60833%0.329SS*.G310 helixtrans-82.14.4174.951.90000114Q117Q117-S119 VanDerWaalsContact C-N 3.31Å; Q117-S119 VanDerWaalsContact CD-OG 3.23Å; Q117-S119 PolarHBondContact NE2-OG 3.06Å; Q117-S119 PolarHBondContact O-N 2.5Å; Q117-S119 VanDerWaalsContact O-N 3.12Å; Q117-S119 PolarHBondContact OE1-OG 3.41Å
120C93.2Very high85.9Confident3 Ų358.2 Ų58.22%0.0234%0.34CS..G310 helixtrans-99.83.7170.5-51.90000112.9Q117 V118 V173Q117-C120 VanDerWaalsContact O-CB 3.29Å; Q117-C120 WeakPolarHBondContact O-CB 3.44Å; Q117-C120 PolarHBondContact O-N 3.13Å; V118-C120 PolarHBondContact O-N 2.85Å; C120-V173 HydrophobicContact CB-CG2 4.07Å
121C93.2Very high86Confident12 Ų1258 Ų588%0.08133%0.329CS..  trans-123.8107.6-175.2-54.90000110.8A116 V118 S123 W124 V147 V163A116-C121 WeakPolarHBondContact CB-SG 3.37Å; V118-C121 PolarHBondContact O-N 3.18Å; C121-S123 VanDerWaalsContact C-N 3.32Å; C121-W124 HydrophobicContact CB-CB 4.47Å; C121-W124 HydrophobicContact CB-CG 4.46Å; C121-V147 HydrophobicContact CB-CG1 4.42Å; C121-V163 HydrophobicContact CB-CG2 4.44Å
122A90.3Very high85.7Confident91 Ų9161.1 Ų61.175%0.75235%0.347SS*.SBendtrans-70-30.7173.900000112.2D99D99-A122 HydrophobicContact CB-CB 4.23Å; D99-A122 WeakPolarHBondContact OD2-CB 3.14Å; D99-A122 PolarHBondContact OD2-N 2.95Å
123S90.2Very high85.4Confident73 Ų7360.2 Ų60.251%0.5134%0.343SS..EExtended strand (participates in β ladder)trans-130.2112.8179.7-171.80000112.3C121 G145 T146C121-S123 VanDerWaalsContact C-N 3.32Å; S123-G145 VanDerWaalsContact O-CA 3.28Å; S123-G145 WeakPolarHBondContact O-CA 3.43Å; S123-T146 PolarHBondContact O-N 3.28Å
124W94.5Very high83.7Confident96 Ų9661.5 Ų61.536%0.36436%0.357SS..EExtended strand (participates in β ladder)trans-151.515817368.1-81000111.5V118 C121 K126 Q142 L144 V163V118-W124 HydrophobicContact CG2-CH2 4.43Å; V118-W124 HydrophobicContact CG2-CZ2 3.55Å; C121-W124 HydrophobicContact CB-CB 4.47Å; C121-W124 HydrophobicContact CB-CG 4.46Å; W124-K126 HydrophobicContact CZ3-CB 4.43Å; W124-Q142 HydrophobicContact CE3-CB 4.49Å; W124-Q142 HydrophobicContact CH2-CB 3.98Å; W124-Q142 HydrophobicContact CZ3-CB 3.75Å; W124-L144 WeakPolarHBondContact CA-O 3.32Å; W124-V163 HydrophobicContact CB-CG2 3.71Å; W124-V163 HydrophobicContact CD2-CG1 4.18Å; W124-V163 HydrophobicContact CD2-CG2 4.48Å; W124-V163 HydrophobicContact CE3-CB 4.47Å; W124-V163 HydrophobicContact CE3-CG1 4.4Å; W124-V163 HydrophobicContact CG-CG1 4.35Å; W124-V163 HydrophobicContact CG-CG2 4.1Å
125R92.5Very high81.8Confident162 Ų16263.9 Ų63.961%0.61137%0.37SS*.EExtended strand (participates in β ladder)trans-122.7143.7174.467.9-175.8-179.4-79.51.3110.5S127 G143 L144R125-S127 PolarHBondContact O-N 3.21Å; R125-G143 WeakPolarHBondContact O-CA 3.48Å; R125-L144 PolarHBondContact N-O 2.87Å; R125-L144 PolarHBondContact O-N 3.34Å
126K92.3Very high79.8Confident178 Ų17865.5 Ų65.577%0.77439%0.388SS*.EExtended strand (participates in β ladder)trans-60.1128.8172-168.1175.1-174.2177.10109.4W124 Q142W124-K126 HydrophobicContact CZ3-CB 4.43Å; K126-Q142 WeakPolarHBondContact CA-O 3.18Å
127S87.3Confident77.9Confident31 Ų3167.8 Ų67.822%0.21740%0.404CS..  trans-149143-177.8-172.70000108.9R125 A129 Q142R125-S127 PolarHBondContact O-N 3.21Å; S127-A129 PolarHBondContact O-N 2.84Å; S127-A129 VanDerWaalsContact O-N 3.1Å; S127-Q142 PolarHBondContact N-O 3.28Å
128P75.7Confident76.6Confident132 Ų13273.1 Ų73.186%0.85743%0.429SS*.  trans-61.3115.2161.627.8-32.5000107.7
129A72.1Confident75.5Confident27 Ų2773.9 Ų73.922%0.22343%0.43CS..  trans-148146.5174.700000107.7S127 C141 L144 V162S127-A129 PolarHBondContact O-N 2.84Å; S127-A129 VanDerWaalsContact O-N 3.1Å; A129-C141 HydrophobicContact CB-CB 3.79Å; A129-C141 VanDerWaalsContact O-CB 3.24Å; A129-C141 WeakPolarHBondContact O-CB 3.34Å; A129-C141 PolarHBondContact O-SG 3Å; A129-L144 HydrophobicContact CB-CD2 4.17Å; A129-V162 HydrophobicContact CB-CG1 4.24Å
130S69.5Low74.6Confident69 Ų6979.7 Ų79.748%0.48344%0.439SS..EExtended strand (participates in β ladder)trans-141.8129.7-179.251.70000108.8E138S130-E138 WeakPolarHBondContact CB-OE1 3.39Å
131I70Confident74.2Confident32 Ų3280.1 Ų80.116%0.16444%0.442CS..EExtended strand (participates in β ladder)trans-100.9126.6170.2-63.1150.9000106.7V115 E138 I139 V162 T164V115-I131 HydrophobicContact CB-CD1 4.17Å; V115-I131 HydrophobicContact CG1-CD1 3.45Å; V115-I131 VanDerWaalsContact CG1-CD1 3.45Å; V115-I131 HydrophobicContact CG2-CD1 3.57Å; V115-I131 HydrophobicContact CG2-CG1 4.31Å; I131-E138 CarbonylContact O-C 3.46Å; I131-E138 WeakPolarHBondContact O-CA 3.45Å; I131-I139 HydrophobicContact CB-CB 4.22Å; I131-I139 HydrophobicContact CG2-CD1 4.33Å; I131-I139 PolarHBondContact N-O 2.89Å; I131-I139 PolarHBondContact O-N 3.21Å; I131-V162 HydrophobicContact CD1-CB 4Å; I131-V162 HydrophobicContact CD1-CG1 3.66Å; I131-V162 HydrophobicContact CG1-CB 4.31Å; I131-V162 HydrophobicContact CG1-CG1 3.89Å; I131-T164 HydrophobicContact CD1-CG2 3.96Å
132V66.6Low74Confident87 Ų8782.7 Ų82.753%0.52745%0.453SS..EExtended strand (participates in β ladder)trans-95.5112.9172.3-177.60000107.9S137V132-S137 WeakPolarHBondContact CA-O 3.5Å
133A63.7Low74.1Confident29 Ų2978.3 Ų78.324%0.2442%0.417CS..  trans-70.8163.817400000111.1D135 G136 S137 I139A133-D135 PolarHBondContact O-N 3.31Å; A133-G136 WeakPolarHBondContact O-CA 3.35Å; A133-G136 PolarHBondContact O-N 3.36Å; A133-S137 PolarHBondContact N-O 3.18Å; A133-I139 HydrophobicContact CB-CD1 4.43Å
134V50.5Low74.3Confident106 Ų10677.6 Ų77.664%0.64241%0.407SS*.THydrogen-bonded Turntrans-58.8-23.7-174.5176.60000114G136 R262V134-G136 VanDerWaalsContact C-N 3.28Å; V134-R262 VanDerWaalsContact O-CD 3.24Å; V134-R262 WeakPolarHBondContact O-CD 3.37Å
135D50Low74.2Confident50 Ų5073.2 Ų73.227%0.26739%0.392SS..THydrogen-bonded Turntrans-81.5-3.7173.583.1-50.2000114A133 S137 R261A133-D135 PolarHBondContact O-N 3.31Å; D135-S137 WeakPolarHBondContact OD1-CB 3.37Å; D135-S137 PolarHBondContact OD1-N 3.35Å; D135-S137 PolarHBondContact OD1-OG 3.38Å; D135-R261 PolarHBondContact O-NE 3.33Å; D135-R261 PolarHBondContact O-NH2 2.97Å; D135-R261 IonicContact OD2-CZ 3.56Å; D135-R261 IonicContact OD2-NH1 2.74Å; D135-R261 PolarHBondContact OD2-NH1 3.29Å; D135-R261 IonicContact OD2-NH2 2.77Å; D135-R261 PolarHBondContact OD2-NH2 3.16Å
136G51.1Low74.4Confident39 Ų3967.1 Ų67.140%0.40237%0.373SS..SBendtrans77.919.4-171.600000113.9A133 V134 R261A133-G136 WeakPolarHBondContact O-CA 3.35Å; A133-G136 PolarHBondContact O-N 3.36Å; V134-G136 VanDerWaalsContact C-N 3.28Å; G136-R261 VanDerWaalsContact C-NH2 3.32Å; G136-R261 PolarHBondContact O-NH2 3.43Å
137S53.7Low74.5Confident48 Ų4858.7 Ų58.734%0.33634%0.336SS..  trans-81.5144.9166.464.20000110.9V132 A133 D135V132-S137 WeakPolarHBondContact CA-O 3.5Å; A133-S137 PolarHBondContact N-O 3.18Å; D135-S137 WeakPolarHBondContact OD1-CB 3.37Å; D135-S137 PolarHBondContact OD1-N 3.35Å; D135-S137 PolarHBondContact OD1-OG 3.38Å
138E65.6Low74.9Confident139 Ų13961.1 Ų61.165%0.6534%0.344SS*.EExtended strand (participates in β ladder)trans-96.7120.6178.5-165.3-170.9145.600110.1S130 I131S130-E138 WeakPolarHBondContact CB-OE1 3.39Å; I131-E138 CarbonylContact O-C 3.46Å; I131-E138 WeakPolarHBondContact O-CA 3.45Å
139I69.4Low75.8Confident60 Ų6054.8 Ų54.831%0.30830%0.303SS..EExtended strand (participates in β ladder)trans-86.8114.6171.6-54.5174.8000107.4I131 A133 C141 T164I131-I139 HydrophobicContact CB-CB 4.22Å; I131-I139 HydrophobicContact CG2-CD1 4.33Å; I131-I139 PolarHBondContact N-O 2.89Å; I131-I139 PolarHBondContact O-N 3.21Å; A133-I139 HydrophobicContact CB-CD1 4.43Å; I139-C141 PolarHBondContact O-N 3.37Å; I139-C141 VanDerWaalsContact O-N 3.17Å; I139-C141 PolarHBondContact O-SG 3.16Å; I139-C141 VanDerWaalsContact O-SG 3.34Å; I139-T164 HydrophobicContact CG2-CG2 4.15Å
140R74.3Confident76.7Confident209 Ų20955.8 Ų55.879%0.78930%0.303SS*.EExtended strand (participates in β ladder)trans-65.4113.1178.4-178.1-179-67.2168.2-0.9110.9
141C85.2Confident77.4Confident13 Ų1352.9 Ų52.99%0.08828%0.283CS..EExtended strand (participates in β ladder)trans-83156.5174.3-45.80000111A129 I139 V162 V163A129-C141 HydrophobicContact CB-CB 3.79Å; A129-C141 VanDerWaalsContact O-CB 3.24Å; A129-C141 WeakPolarHBondContact O-CB 3.34Å; A129-C141 PolarHBondContact O-SG 3Å; I139-C141 PolarHBondContact O-N 3.37Å; I139-C141 VanDerWaalsContact O-N 3.17Å; I139-C141 PolarHBondContact O-SG 3.16Å; I139-C141 VanDerWaalsContact O-SG 3.34Å; C141-V162 HydrophobicContact CB-CG1 3.71Å; C141-V162 WeakPolarHBondContact SG-CG1 3.37Å; C141-V163 CarbonylContact C-O 3.52Å; C141-V163 WeakPolarHBondContact CA-O 3.28Å; C141-V163 WeakPolarHBondContact CB-O 3.27Å
142Q90.1Very high77.9Confident65 Ų6557.6 Ų57.630%0.30431%0.313SS..EExtended strand (participates in β ladder)trans-90.6-30.9169.8-67.8-62.4-31.500111.3W124 K126 S127 V163 A165W124-Q142 HydrophobicContact CE3-CB 4.49Å; W124-Q142 HydrophobicContact CH2-CB 3.98Å; W124-Q142 HydrophobicContact CZ3-CB 3.75Å; K126-Q142 WeakPolarHBondContact CA-O 3.18Å; S127-Q142 PolarHBondContact N-O 3.28Å; Q142-V163 HydrophobicContact CB-CG1 4.41Å; Q142-V163 PolarHBondContact N-O 3.11Å; Q142-A165 HydrophobicContact CG-CB 3.95Å
143G92.1Very high78.3Confident0 Ų057.1 Ų57.10%031%0.305CS..EExtended strand (participates in β ladder)trans165.9-151.9177.900000113.2R125 V163R125-G143 WeakPolarHBondContact O-CA 3.48Å; G143-V163 PolarHBondContact O-N 3.22Å
144L93.7Very high78.9Confident57 Ų5758 Ų5830%0.29832%0.317SS..EExtended strand (participates in β ladder)trans-123.2139.3-178.3-61.4175000109.3W124 R125 A129 V162W124-L144 WeakPolarHBondContact CA-O 3.32Å; R125-L144 PolarHBondContact N-O 2.87Å; R125-L144 PolarHBondContact O-N 3.34Å; A129-L144 HydrophobicContact CB-CD2 4.17Å; L144-V162 HydrophobicContact CD2-CG2 4.03Å
145G93.7Very high80.4Confident5 Ų553.6 Ų53.65%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-141.6-174.4177.500000111.8S123 V161S123-G145 VanDerWaalsContact O-CA 3.28Å; S123-G145 WeakPolarHBondContact O-CA 3.43Å; G145-V161 PolarHBondContact N-O 2.93Å; G145-V161 PolarHBondContact O-N 3.28Å
146T95.2Very high82.3Confident34 Ų3459.9 Ų59.921%0.20931%0.313CS..EExtended strand (participates in β ladder)trans-138.6131.9175.2-49.50000107.8S123 R158 V159S123-T146 PolarHBondContact O-N 3.28Å; T146-R158 HydrophobicContact CG2-CG 3.46Å; T146-R158 VanDerWaalsContact CG2-CG 3.46Å; T146-V159 VanDerWaalsContact CA-O 3.32Å; T146-V159 WeakPolarHBondContact CA-O 3.11Å; T146-V159 WeakPolarHBondContact CG2-O 3.45Å
147V95.7Very high84.1Confident0 Ų058.5 Ų58.50%030%0.297CS..EExtended strand (participates in β ladder)trans-117.3152.3176.7-57.40000111V98 D99 C121 L149 R158 V159 V161V98-V147 HydrophobicContact CG1-CB 3.7Å; V98-V147 HydrophobicContact CG1-CG1 3.93Å; V98-V147 HydrophobicContact CG1-CG2 3.86Å; D99-V147 VanDerWaalsContact OD1-CA 3.27Å; D99-V147 WeakPolarHBondContact OD1-CA 3.34Å; C121-V147 HydrophobicContact CB-CG1 4.42Å; V147-L149 HydrophobicContact CG2-CD2 3.8Å; V147-L149 HydrophobicContact CG2-CG 4.34Å; V147-R158 WeakPolarHBondContact O-CA 3.29Å; V147-V159 HydrophobicContact CG2-CG2 3.62Å; V147-V159 PolarHBondContact N-O 3.39Å; V147-V159 PolarHBondContact O-N 3.09Å; V147-V161 HydrophobicContact CB-CG1 4.39Å; V147-V161 HydrophobicContact CG1-CG1 3.98Å; V147-V161 HydrophobicContact CG1-CG2 3.92Å; V147-V161 HydrophobicContact CG2-CG1 3.6Å
148Q95.1Very high86Confident82 Ų8264.6 Ų64.638%0.38331%0.313SS..EExtended strand (participates in β ladder)trans-95.1120.9167.3-178.6170.2-37.700109.1V98 D99 A157V98-Q148 WeakPolarHBondContact CA-O 3.29Å; D99-Q148 PolarHBondContact N-O 2.89Å; D99-Q148 PolarHBondContact OD1-N 2.59Å; Q148-A157 WeakPolarHBondContact CA-O 3.29Å
149L93.8Very high87.4Confident0 Ų058.2 Ų58.20%028%0.283CS..EExtended strand (participates in β ladder)trans-96.2137.1174.5-55.2180000109.5V96 E97 V98 V147 R156 A157 V159 L175 A179 L183V96-L149 HydrophobicContact CG1-CB 4.46Å; E97-L149 CarbonylContact O-C 3.6Å; E97-L149 WeakPolarHBondContact O-CA 3.33Å; V98-L149 HydrophobicContact CG1-CD2 4.24Å; V98-L149 HydrophobicContact CG2-CD2 3.89Å; V147-L149 HydrophobicContact CG2-CD2 3.8Å; V147-L149 HydrophobicContact CG2-CG 4.34Å; L149-R156 WeakPolarHBondContact O-CA 3.14Å; L149-A157 PolarHBondContact N-O 2.78Å; L149-A157 PolarHBondContact O-N 2.83Å; L149-V159 HydrophobicContact CD1-CG1 3.89Å; L149-V159 HydrophobicContact CD1-CG2 3.79Å; L149-V159 HydrophobicContact CD2-CG2 4.46Å; L149-V159 HydrophobicContact CG-CG1 4.46Å; L149-V159 HydrophobicContact CG-CG2 3.99Å; L149-L175 HydrophobicContact CD1-CD1 4.38Å; L149-L175 HydrophobicContact CD1-CD2 3.59Å; L149-L175 HydrophobicContact CD2-CD2 4.01Å; L149-L175 HydrophobicContact CG-CD2 4.48Å; L149-A179 HydrophobicContact CD1-CB 3.64Å; L149-L183 HydrophobicContact CB-CD1 4.48Å; L149-L183 HydrophobicContact CB-CD2 4.3Å; L149-L183 HydrophobicContact CD1-CD1 3.85Å; L149-L183 HydrophobicContact CD1-CG 4.36Å
150Q91.2Very high88.5Confident47 Ų4759.1 Ų59.122%0.2229%0.289CS..EExtended strand (participates in β ladder)trans-127.3121.8163.4-34.4-161.24800109.5V96 E97 G155 R156V96-Q150 WeakPolarHBondContact CG1-O 3.37Å; E97-Q150 HydrophobicContact CB-CB 4.02Å; E97-Q150 HydrophobicContact CB-CG 4.3Å; E97-Q150 PolarHBondContact N-O 2.91Å; E97-Q150 PolarHBondContact O-N 3.03Å; E97-Q150 WeakPolarHBondContact OE1-CG 3.49Å; E97-Q150 PolarHBondContact OE1-NE2 2.92Å; Q150-G155 CarbonylContact C-O 3.52Å; Q150-G155 WeakPolarHBondContact CA-O 3.19Å; Q150-R156 HydrophobicContact CB-CG 4.15Å; Q150-R156 HydrophobicContact CG-CG 3.97Å; Q150-R156 VanDerWaalsContact OE1-CD 3.24Å
151S85.2Confident89.5Confident9 Ų949.3 Ų49.36%0.06325%0.252CS..  trans-81.516017390.50000111.1E153 G154 G155S151-E153 WeakPolarHBondContact CB-OE2 3.41Å; S151-E153 PolarHBondContact O-N 2.8Å; S151-E153 PolarHBondContact OG-N 3.08Å; S151-E153 PolarHBondContact OG-OE2 2.91Å; S151-G154 PolarHBondContact O-N 3.06Å; S151-G155 PolarHBondContact N-O 2.85Å; S151-G155 PolarHBondContact OG-N 2.92Å
152V79.7Confident89.8Confident130 Ų13049.5 Ų49.579%0.78825%0.253SS*.THydrogen-bonded Turntrans-63.3-28.5178.6-177.80000111.4G154V152-G154 PolarHBondContact O-N 3.39Å
153E76.2Confident90Very high77 Ų7746.4 Ų46.436%0.3624%0.239SC..THydrogen-bonded Turntrans-75-4174.4-49.387.9163.300113.3S151 R195 F196 T198S151-E153 WeakPolarHBondContact CB-OE2 3.41Å; S151-E153 PolarHBondContact O-N 2.8Å; S151-E153 PolarHBondContact OG-N 3.08Å; S151-E153 PolarHBondContact OG-OE2 2.91Å; E153-R195 VanDerWaalsContact OE1-CA 3.27Å; E153-R195 WeakPolarHBondContact OE1-CA 3.3Å; E153-F196 WeakPolarHBondContact CG-O 3.47Å; E153-F196 PolarHBondContact OE1-N 3.26Å; E153-T198 HydrophobicContact CB-CG2 3.84Å; E153-T198 WeakPolarHBondContact O-CG2 3.48Å
154G76.1Confident89.9Confident49 Ų4946.5 Ų46.551%0.50524%0.239SC..  trans91.14179.300000114.9S151 V152 R156S151-G154 PolarHBondContact O-N 3.06Å; V152-G154 PolarHBondContact O-N 3.39Å; G154-R156 PolarHBondContact O-N 2.91Å
155G81.3Confident89.7Confident12 Ų1246.2 Ų46.212%0.12425%0.245CC..  trans-65122.6174.500000110.9Q150 S151Q150-G155 CarbonylContact C-O 3.52Å; Q150-G155 WeakPolarHBondContact CA-O 3.19Å; S151-G155 PolarHBondContact N-O 2.85Å; S151-G155 PolarHBondContact OG-N 2.92Å
156R89.3Confident89.2Confident183 Ų18352.6 Ų52.669%0.69127%0.268SS*.EExtended strand (participates in β ladder)trans-117.5126.2-178.9-79.7-174.6-93.5-1591.5111.7L149 Q150 G154L149-R156 WeakPolarHBondContact O-CA 3.14Å; Q150-R156 HydrophobicContact CB-CG 4.15Å; Q150-R156 HydrophobicContact CG-CG 3.97Å; Q150-R156 VanDerWaalsContact OE1-CD 3.24Å; G154-R156 PolarHBondContact O-N 2.91Å
157A90.4Very high88.9Confident10 Ų1055.8 Ų55.88%0.08328%0.279CS..EExtended strand (participates in β ladder)trans-137.3150.1179.800000111.6Q148 L149 V159 A182 L183Q148-A157 WeakPolarHBondContact CA-O 3.29Å; L149-A157 PolarHBondContact N-O 2.78Å; L149-A157 PolarHBondContact O-N 2.83Å; A157-V159 HydrophobicContact CB-CG1 4.18Å; A157-A182 HydrophobicContact CB-CB 3.8Å; A157-L183 HydrophobicContact CB-CD2 3.55Å; A157-L183 HydrophobicContact CB-CG 3.8Å
158R93.7Very high88Confident175 Ų17556.2 Ų56.266%0.6628%0.281SS*.EExtended strand (participates in β ladder)trans-113.2121.5170.9-173.8175.7-175.3120.74.3108.5T146 V147T146-R158 HydrophobicContact CG2-CG 3.46Å; T146-R158 VanDerWaalsContact CG2-CG 3.46Å; V147-R158 WeakPolarHBondContact O-CA 3.29Å
159V93.7Very high87Confident5 Ų557.1 Ų57.13%0.0329%0.288CS..EExtended strand (participates in β ladder)trans-131.5141.6-168.4-52.40000112C114 T146 V147 L149 A157 V161 A179 A182C114-V159 HydrophobicContact CB-CG2 4.46Å; T146-V159 VanDerWaalsContact CA-O 3.32Å; T146-V159 WeakPolarHBondContact CA-O 3.11Å; T146-V159 WeakPolarHBondContact CG2-O 3.45Å; V147-V159 HydrophobicContact CG2-CG2 3.62Å; V147-V159 PolarHBondContact N-O 3.39Å; V147-V159 PolarHBondContact O-N 3.09Å; L149-V159 HydrophobicContact CD1-CG1 3.89Å; L149-V159 HydrophobicContact CD1-CG2 3.79Å; L149-V159 HydrophobicContact CD2-CG2 4.46Å; L149-V159 HydrophobicContact CG-CG1 4.46Å; L149-V159 HydrophobicContact CG-CG2 3.99Å; A157-V159 HydrophobicContact CB-CG1 4.18Å; V159-V161 HydrophobicContact CG2-CG1 4.39Å; V159-A179 HydrophobicContact CG1-CB 3.99Å; V159-A179 HydrophobicContact CG2-CB 4.46Å; V159-A182 HydrophobicContact CG1-CB 3.93Å
160D93.7Very high86.3Confident80 Ų8058.7 Ų58.743%0.42831%0.305SS..EExtended strand (participates in β ladder)trans-63.9138.4167.8-63.8-32.2000110.7K113 N178K113-D160 HydrophobicContact CD-CB 4.24Å; K113-D160 IonicContact NZ-OD2 2.86Å; K113-D160 PolarHBondContact NZ-OD2 2.95Å; D160-N178 PolarHBondContact O-ND2 3.28Å
161V94.1Very high86Confident2 Ų256.8 Ų56.81%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-125.1143.4172.4-66.20000111.6C114 A116 G145 V147 V159 V163C114-V161 HydrophobicContact CB-CG1 3.72Å; C114-V161 CarbonylContact O-C 3.54Å; C114-V161 WeakPolarHBondContact O-CA 3.1Å; A116-V161 HydrophobicContact CB-CB 4Å; A116-V161 HydrophobicContact CB-CG1 4.02Å; A116-V161 HydrophobicContact CB-CG2 4.25Å; G145-V161 PolarHBondContact N-O 2.93Å; G145-V161 PolarHBondContact O-N 3.28Å; V147-V161 HydrophobicContact CB-CG1 4.39Å; V147-V161 HydrophobicContact CG1-CG1 3.98Å; V147-V161 HydrophobicContact CG1-CG2 3.92Å; V147-V161 HydrophobicContact CG2-CG1 3.6Å; V159-V161 HydrophobicContact CG2-CG1 4.39Å; V161-V163 HydrophobicContact CG2-CG2 4.04Å
162V92.4Very high86.4Confident18 Ų1857.1 Ų57.111%0.10930%0.297CS..EExtended strand (participates in β ladder)trans-86.5121.8160.7-173.60000108.2K113 C114 V115 A116 A129 I131 C141 L144K113-V162 HydrophobicContact CB-CG2 4.19Å; C114-V162 PolarHBondContact O-N 2.87Å; V115-V162 WeakPolarHBondContact CA-O 3.47Å; A116-V162 PolarHBondContact N-O 3.21Å; A129-V162 HydrophobicContact CB-CG1 4.24Å; I131-V162 HydrophobicContact CD1-CB 4Å; I131-V162 HydrophobicContact CD1-CG1 3.66Å; I131-V162 HydrophobicContact CG1-CB 4.31Å; I131-V162 HydrophobicContact CG1-CG1 3.89Å; C141-V162 HydrophobicContact CB-CG1 3.71Å; C141-V162 WeakPolarHBondContact SG-CG1 3.37Å; L144-V162 HydrophobicContact CD2-CG2 4.03Å
163V93.6Very high87Confident0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-91.1132.7-172.9-174.40000110.2A116 V118 C121 W124 C141 Q142 G143 V161A116-V163 CarbonylContact O-C 3.53Å; A116-V163 WeakPolarHBondContact O-CA 3.11Å; V118-V163 HydrophobicContact CB-CG1 3.84Å; V118-V163 HydrophobicContact CG2-CG1 3.96Å; C121-V163 HydrophobicContact CB-CG2 4.44Å; W124-V163 HydrophobicContact CB-CG2 3.71Å; W124-V163 HydrophobicContact CD2-CG1 4.18Å; W124-V163 HydrophobicContact CD2-CG2 4.48Å; W124-V163 HydrophobicContact CE3-CB 4.47Å; W124-V163 HydrophobicContact CE3-CG1 4.4Å; W124-V163 HydrophobicContact CG-CG1 4.35Å; W124-V163 HydrophobicContact CG-CG2 4.1Å; C141-V163 CarbonylContact C-O 3.52Å; C141-V163 WeakPolarHBondContact CA-O 3.28Å; C141-V163 WeakPolarHBondContact CB-O 3.27Å; Q142-V163 HydrophobicContact CB-CG1 4.41Å; Q142-V163 PolarHBondContact N-O 3.11Å; G143-V163 PolarHBondContact O-N 3.22Å; V161-V163 HydrophobicContact CG2-CG2 4.04Å
164T89.9Confident87.7Confident2 Ų247.8 Ų47.81%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-124.2148.8-177.756.80000111.2V115 A116 Q117 V118 I131 I139 R166V115-T164 HydrophobicContact CG1-CG2 3.55Å; A116-T164 PolarHBondContact O-N 2.65Å; A116-T164 PolarHBondContact O-OG1 3.07Å; Q117-T164 CarbonylContact C-O 3.53Å; Q117-T164 WeakPolarHBondContact CA-O 3.47Å; V118-T164 PolarHBondContact N-O 2.9Å; I131-T164 HydrophobicContact CD1-CG2 3.96Å; I139-T164 HydrophobicContact CG2-CG2 4.15Å; T164-R166 VanDerWaalsContact C-N 3.28Å; T164-R166 PolarHBondContact O-N 2.88Å; T164-R166 PolarHBondContact OG1-O 3.24Å; T164-R166 VanDerWaalsContact OG1-O 3.1Å
165A88.8Confident88.3Confident51 Ų5145.5 Ų45.542%0.42122%0.221SC..SBendtrans-77.4-12.8-179.900000114Q142Q142-A165 HydrophobicContact CG-CB 3.95Å
166R85.1Confident88.5Confident139 Ų13945 Ų4553%0.52522%0.215SC..SBendtrans-136.5148.8-175.8-61.4-175.6-178.6-149.4-4.2108.9T76 G78 T164 P168T76-R166 PolarHBondContact O-NH2 2.94Å; G78-R166 PolarHBondContact O-NH1 3.18Å; T164-R166 VanDerWaalsContact C-N 3.28Å; T164-R166 PolarHBondContact O-N 2.88Å; T164-R166 PolarHBondContact OG1-O 3.24Å; T164-R166 VanDerWaalsContact OG1-O 3.1Å; R166-P168 VanDerWaalsContact O-CD 3.31Å; R166-P168 WeakPolarHBondContact O-CD 3.45Å; R166-P168 VanDerWaalsContact O-N 3.13Å
167K87.4Confident88.2Confident101 Ų10139.3 Ų39.344%0.43920%0.197SC..  trans-51.4111.9175.2-69.6-155.2-170.8-157.70111.3Q117 L169 G170 F171 D172Q117-K167 HydrophobicContact CB-CG 4.42Å; Q117-K167 HydrophobicContact CG-CG 4.21Å; K167-L169 PolarHBondContact O-N 2.78Å; K167-G170 VanDerWaalsContact CD-O 3.22Å; K167-G170 WeakPolarHBondContact CD-O 3.44Å; K167-G170 PolarHBondContact O-N 3.3Å; K167-F171 CarbonylContact C-O 3.57Å; K167-F171 VanDerWaalsContact CA-O 3.29Å; K167-F171 WeakPolarHBondContact CA-O 3.39Å; K167-F171 WeakPolarHBondContact CB-O 3.42Å; K167-D172 WeakPolarHBondContact CE-OD1 3.24Å; K167-D172 IonicContact NZ-OD1 2.63Å; K167-D172 PolarHBondContact NZ-OD1 2.94Å; K167-D172 IonicContact NZ-OD2 3.6Å
168P77.2Confident87.9Confident9 Ų940.4 Ų40.46%0.05820%0.202CC..G310 helixtrans-64.5124.3176.229.2-37.8000109.7V115 R166 G170 F171 I174V115-P168 HydrophobicContact CB-CG 4.35Å; V115-P168 HydrophobicContact CG1-CB 4.01Å; V115-P168 HydrophobicContact CG1-CG 3.92Å; R166-P168 VanDerWaalsContact O-CD 3.31Å; R166-P168 WeakPolarHBondContact O-CD 3.45Å; R166-P168 VanDerWaalsContact O-N 3.13Å; P168-G170 PolarHBondContact O-N 2.77Å; P168-F171 VanDerWaalsContact CD-O 3.32Å; P168-F171 WeakPolarHBondContact CD-O 3.39Å; P168-F171 PolarHBondContact O-N 2.9Å; P168-I174 HydrophobicContact CB-CD1 3.73Å; P168-I174 HydrophobicContact CB-CG1 4.19Å; P168-I174 HydrophobicContact CG-CD1 4.05Å; P168-I174 HydrophobicContact CG-CG1 3.93Å
169L75.1Confident87.7Confident100 Ų10032 Ų3252%0.52417%0.17SC..G310 helixtrans54.216.4-175.2-55.2177.4000115.4L106 K167 F171 I174L106-L169 HydrophobicContact CD2-CD1 4.16Å; K167-L169 PolarHBondContact O-N 2.78Å; L169-F171 HydrophobicContact CB-CD2 4.03Å; L169-F171 HydrophobicContact CB-CE2 4.35Å; L169-I174 HydrophobicContact CD1-CD1 4.03Å; L169-I174 HydrophobicContact CG-CD1 4.27Å
170G78.5Confident87.1Confident34 Ų3432.6 Ų32.635%0.35117%0.174SC..G310 helixtrans92.3-9.1-175.200000115.3K167 P168K167-G170 VanDerWaalsContact CD-O 3.22Å; K167-G170 WeakPolarHBondContact CD-O 3.44Å; K167-G170 PolarHBondContact O-N 3.3Å; P168-G170 PolarHBondContact O-N 2.77Å
171F85.6Confident86.5Confident7 Ų731.9 Ų31.93%0.03117%0.173CC..  trans-85.3156.7178.2-62.1-87.9000112.2I88 L91 T93 L106 K167 P168 L169I88-F171 HydrophobicContact CG2-CE1 4.46Å; L91-F171 HydrophobicContact CB-CZ 4.4Å; L91-F171 HydrophobicContact CD1-CE2 3.9Å; L91-F171 HydrophobicContact CD1-CZ 3.76Å; T93-F171 HydrophobicContact CG2-CD1 4.36Å; T93-F171 HydrophobicContact CG2-CE1 3.74Å; L106-F171 HydrophobicContact CB-CB 4.3Å; L106-F171 HydrophobicContact CB-CD1 3.79Å; L106-F171 HydrophobicContact CB-CD2 3.79Å; L106-F171 HydrophobicContact CB-CE1 4.01Å; L106-F171 HydrophobicContact CB-CE2 4.03Å; L106-F171 HydrophobicContact CB-CG 3.67Å; L106-F171 HydrophobicContact CB-CZ 4.13Å; L106-F171 HydrophobicContact CD1-CE2 4.3Å; L106-F171 HydrophobicContact CD1-CZ 4.11Å; L106-F171 HydrophobicContact CD2-CD2 4.02Å; L106-F171 HydrophobicContact CD2-CE2 3.92Å; L106-F171 HydrophobicContact CG-CD2 4.44Å; L106-F171 HydrophobicContact CG-CE2 4.32Å; K167-F171 CarbonylContact C-O 3.57Å; K167-F171 VanDerWaalsContact CA-O 3.29Å; K167-F171 WeakPolarHBondContact CA-O 3.39Å; K167-F171 WeakPolarHBondContact CB-O 3.42Å; P168-F171 VanDerWaalsContact CD-O 3.32Å; P168-F171 WeakPolarHBondContact CD-O 3.39Å; P168-F171 PolarHBondContact O-N 2.9Å; L169-F171 HydrophobicContact CB-CD2 4.03Å; L169-F171 HydrophobicContact CB-CE2 4.35Å
172D92.7Very high86Confident16 Ų1634.2 Ų34.29%0.08619%0.192CC..SBendtrans-72.8-42.2175.5-68.6-50.2000110.9R103 N104 Q117 K167R103-D172 HydrophobicContact CB-CB 3.84Å; R103-D172 HydrophobicContact CG-CB 4.24Å; N104-D172 PolarHBondContact N-OD2 3.21Å; N104-D172 WeakPolarHBondContact O-CB 3.33Å; N104-D172 PolarHBondContact O-N 3.39Å; Q117-D172 PolarHBondContact N-O 2.81Å; K167-D172 WeakPolarHBondContact CE-OD1 3.24Å; K167-D172 IonicContact NZ-OD1 2.63Å; K167-D172 PolarHBondContact NZ-OD1 2.94Å; K167-D172 IonicContact NZ-OD2 3.6Å
173V92Very high85.5Confident0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-138.9141175.6-174.90000109.8V98 V105 L106 V115 A116 C120 L175V98-V173 HydrophobicContact CG1-CG2 4.3Å; V98-V173 HydrophobicContact CG2-CG2 4.17Å; V105-V173 WeakPolarHBondContact CA-O 3.3Å; V105-V173 HydrophobicContact CG2-CB 4.13Å; L106-V173 PolarHBondContact N-O 3.23Å; V115-V173 CarbonylContact O-C 3.57Å; V115-V173 WeakPolarHBondContact O-CA 3.38Å; A116-V173 HydrophobicContact CB-CG1 4.38Å; A116-V173 HydrophobicContact CB-CG2 4.04Å; C120-V173 HydrophobicContact CB-CG2 4.07Å; V173-L175 HydrophobicContact CG1-CD2 3.99Å
174I90.4Very high84.7Confident10 Ų1035.2 Ų35.25%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-100.9122160.6-61.3-179.6000106.9L106 D108 C111 C114 V115 P168 L169L106-I174 HydrophobicContact CB-CG1 4.31Å; L106-I174 HydrophobicContact CD2-CD1 4.34Å; L106-I174 HydrophobicContact CD2-CG1 4.27Å; L106-I174 CarbonylContact O-C 3.59Å; L106-I174 WeakPolarHBondContact O-CA 3.07Å; D108-I174 HydrophobicContact CB-CG2 3.48Å; D108-I174 VanDerWaalsContact CB-CG2 3.48Å; C111-I174 HydrophobicContact CB-CG2 4.03Å; C114-I174 CarbonylContact C-O 3.56Å; C114-I174 WeakPolarHBondContact CA-O 3.45Å; V115-I174 HydrophobicContact CB-CB 4.32Å; V115-I174 PolarHBondContact N-O 2.94Å; V115-I174 PolarHBondContact O-N 2.81Å; P168-I174 HydrophobicContact CB-CD1 3.73Å; P168-I174 HydrophobicContact CB-CG1 4.19Å; P168-I174 HydrophobicContact CG-CD1 4.05Å; P168-I174 HydrophobicContact CG-CG1 3.93Å; L169-I174 HydrophobicContact CD1-CD1 4.03Å; L169-I174 HydrophobicContact CG-CD1 4.27Å
175L90.3Very high83.7Confident2 Ų239.2 Ų39.21%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-84.5115.4170.1-64.9-178.5000109.3V105 L106 V107 D108 L149 V173 A179 L183 F196V105-L175 HydrophobicContact CG1-CB 4.32Å; V105-L175 HydrophobicContact CG1-CD1 3.64Å; V105-L175 HydrophobicContact CG1-CD2 4.37Å; V105-L175 HydrophobicContact CG1-CG 3.44Å; V105-L175 VanDerWaalsContact CG1-CG 3.44Å; L106-L175 PolarHBondContact O-N 2.8Å; V107-L175 HydrophobicContact CG2-CD1 4.5Å; D108-L175 PolarHBondContact N-O 2.98Å; L149-L175 HydrophobicContact CD1-CD1 4.38Å; L149-L175 HydrophobicContact CD1-CD2 3.59Å; L149-L175 HydrophobicContact CD2-CD2 4.01Å; L149-L175 HydrophobicContact CG-CD2 4.48Å; V173-L175 HydrophobicContact CG1-CD2 3.99Å; L175-A179 HydrophobicContact CB-CB 4.05Å; L175-A179 HydrophobicContact CD1-CB 4.41Å; L175-A179 HydrophobicContact CD2-CB 3.69Å; L175-A179 HydrophobicContact CG-CB 4.22Å; L175-L183 HydrophobicContact CD1-CD1 4.37Å; L175-F196 HydrophobicContact CD1-CE1 4.24Å; L175-F196 HydrophobicContact CD1-CZ 4.11Å
176G85.5Confident83.1Confident0 Ų037.7 Ų37.70%021%0.212CC..  trans-87.4-179.3169.300000112.4C111 C114 N178 A179 V180C111-G176 CarbonylContact O-C 3.58Å; C111-G176 WeakPolarHBondContact O-CA 3.41Å; C114-G176 PolarHBondContact SG-N 2.71Å; C114-G176 VanDerWaalsContact SG-N 3.41Å; G176-N178 PolarHBondContact O-N 2.8Å; G176-N178 VanDerWaalsContact O-N 3.09Å; G176-A179 PolarHBondContact O-N 3.06Å; G176-V180 PolarHBondContact O-N 3.23Å
177M81.8Confident82.4Confident64 Ų6433.9 Ų33.932%0.31521%0.206SC..Hα-helixtrans-51.9-33.8-179.9-75.2-60-57.600113.4F109 C111 A179 V180 T181F109-M177 HydrophobicContact CB-SD 4.15Å; F109-M177 HydrophobicContact CD1-SD 3.92Å; C111-M177 PolarHBondContact O-N 2.93Å; M177-A179 VanDerWaalsContact C-N 3.29Å; M177-A179 PolarHBondContact O-N 3.41Å; M177-V180 PolarHBondContact O-N 3.06Å; M177-T181 WeakPolarHBondContact O-CB 3.37Å; M177-T181 PolarHBondContact O-N 2.78Å; M177-T181 PolarHBondContact O-OG1 3.41Å; M177-T181 VanDerWaalsContact O-OG1 3.07Å
178N85.2Confident81.8Confident33 Ų3331.6 Ų31.618%0.17620%0.198CC..Hα-helixtrans-63.7-28.9177.476-46.8000114.3K113 C114 D160 G176 A182K113-N178 WeakPolarHBondContact CA-OD1 3.32Å; K113-N178 HydrophobicContact CD-CB 4.31Å; C114-N178 PolarHBondContact N-OD1 3.11Å; C114-N178 PolarHBondContact SG-OD1 2.89Å; D160-N178 PolarHBondContact O-ND2 3.28Å; G176-N178 PolarHBondContact O-N 2.8Å; G176-N178 VanDerWaalsContact O-N 3.09Å; N178-A182 VanDerWaalsContact O-CB 3.29Å; N178-A182 WeakPolarHBondContact O-CB 3.42Å; N178-A182 PolarHBondContact O-N 2.97Å
179A88.2Confident81.3Confident0 Ų032.9 Ų32.90%021%0.208CC..Hα-helixtrans-83.6-34.8172.100000113.1C114 L149 V159 L175 G176 M177 A182 L183C114-A179 WeakPolarHBondContact SG-CB 3.35Å; L149-A179 HydrophobicContact CD1-CB 3.64Å; V159-A179 HydrophobicContact CG1-CB 3.99Å; V159-A179 HydrophobicContact CG2-CB 4.46Å; L175-A179 HydrophobicContact CB-CB 4.05Å; L175-A179 HydrophobicContact CD1-CB 4.41Å; L175-A179 HydrophobicContact CD2-CB 3.69Å; L175-A179 HydrophobicContact CG-CB 4.22Å; G176-A179 PolarHBondContact O-N 3.06Å; M177-A179 VanDerWaalsContact C-N 3.29Å; M177-A179 PolarHBondContact O-N 3.41Å; A179-A182 PolarHBondContact O-N 3.49Å; A179-L183 WeakPolarHBondContact O-CB 3.4Å; A179-L183 WeakPolarHBondContact O-CG 3.48Å; A179-L183 PolarHBondContact O-N 3.43Å
180V81.2Confident80.8Confident16 Ų1632.4 Ų32.410%0.09721%0.211CC..Hα-helixtrans-54.8-56.8170.5175.70000108.8V107 F109 G176 M177 A182 L183 G184 V186V107-V180 HydrophobicContact CG1-CG2 4.45Å; F109-V180 HydrophobicContact CD1-CG1 4.28Å; F109-V180 HydrophobicContact CD1-CG2 3.84Å; F109-V180 HydrophobicContact CE1-CB 4.45Å; F109-V180 HydrophobicContact CE1-CG1 3.85Å; F109-V180 HydrophobicContact CE1-CG2 3.73Å; G176-V180 PolarHBondContact O-N 3.23Å; M177-V180 PolarHBondContact O-N 3.06Å; V180-A182 PolarHBondContact O-N 3.1Å; V180-L183 PolarHBondContact O-N 3.03Å; V180-G184 PolarHBondContact O-N 3.4Å; V180-V186 HydrophobicContact CB-CG2 4.23Å; V180-V186 HydrophobicContact CG1-CB 4.25Å; V180-V186 HydrophobicContact CG1-CG2 3.88Å; V180-V186 HydrophobicContact CG2-CG2 4.16Å
181T81Confident80.3Confident66 Ų6637.2 Ų37.241%0.40522%0.224SC..Hα-helixtrans-57.1-34.7179.1-58.20000113.5M177M177-T181 WeakPolarHBondContact O-CB 3.37Å; M177-T181 PolarHBondContact O-N 2.78Å; M177-T181 PolarHBondContact O-OG1 3.41Å; M177-T181 VanDerWaalsContact O-OG1 3.07Å
182A85Confident79.4Confident50 Ų5042.9 Ų42.941%0.41325%0.245SC..Hα-helixtrans-84.7-29.7-177.300000114.2A157 V159 N178 A179 V180A157-A182 HydrophobicContact CB-CB 3.8Å; V159-A182 HydrophobicContact CG1-CB 3.93Å; N178-A182 VanDerWaalsContact O-CB 3.29Å; N178-A182 WeakPolarHBondContact O-CB 3.42Å; N178-A182 PolarHBondContact O-N 2.97Å; A179-A182 PolarHBondContact O-N 3.49Å; V180-A182 PolarHBondContact O-N 3.1Å
183L82Confident78.5Confident14 Ų1448.1 Ų48.17%0.07327%0.269CS..Hα-helixtrans-83.9-19173.4-71.4169.1000112.5L149 A157 L175 A179 V180 F196L149-L183 HydrophobicContact CB-CD1 4.48Å; L149-L183 HydrophobicContact CB-CD2 4.3Å; L149-L183 HydrophobicContact CD1-CD1 3.85Å; L149-L183 HydrophobicContact CD1-CG 4.36Å; A157-L183 HydrophobicContact CB-CD2 3.55Å; A157-L183 HydrophobicContact CB-CG 3.8Å; L175-L183 HydrophobicContact CD1-CD1 4.37Å; A179-L183 WeakPolarHBondContact O-CB 3.4Å; A179-L183 WeakPolarHBondContact O-CG 3.48Å; A179-L183 PolarHBondContact O-N 3.43Å; V180-L183 PolarHBondContact O-N 3.03Å; L183-F196 HydrophobicContact CB-CD1 3.97Å; L183-F196 HydrophobicContact CD1-CD1 3.56Å; L183-F196 HydrophobicContact CD1-CE1 3.48Å; L183-F196 VanDerWaalsContact CD1-CE1 3.48Å; L183-F196 HydrophobicContact CD1-CG 4.46Å; L183-F196 HydrophobicContact CD1-CZ 4.31Å; L183-F196 HydrophobicContact CG-CD1 4.34Å
184G75.5Confident77.8Confident25 Ų2548.7 Ų48.726%0.25827%0.273SS..  trans109-128.8176.100000112.3V180V180-G184 PolarHBondContact O-N 3.4Å
185V70.1Confident77.2Confident87 Ų8756.4 Ų56.453%0.52730%0.301SS..EExtended strand (participates in β ladder)trans-78.3132.9175.41790000108.8G197V185-G197 PolarHBondContact O-N 3.44Å
186V74.6Confident76.6Confident19 Ų1956.7 Ų56.712%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-115.2114.6168-176.50000108.2V107 F109 V180 V194 F196V107-V186 HydrophobicContact CG1-CG1 4.18Å; F109-V186 HydrophobicContact CE1-CB 4.23Å; F109-V186 HydrophobicContact CZ-CB 4.16Å; F109-V186 HydrophobicContact CZ-CG1 4.07Å; V180-V186 HydrophobicContact CB-CG2 4.23Å; V180-V186 HydrophobicContact CG1-CB 4.25Å; V180-V186 HydrophobicContact CG1-CG2 3.88Å; V180-V186 HydrophobicContact CG2-CG2 4.16Å; V186-V194 HydrophobicContact CG1-CG1 3.7Å; V186-F196 HydrophobicContact CG1-CD1 4.44Å; V186-F196 HydrophobicContact CG1-CE1 4.27Å; V186-F196 HydrophobicContact CG2-CD1 3.66Å; V186-F196 HydrophobicContact CG2-CE1 3.84Å
187S71.4Confident75.5Confident58 Ų5857.9 Ų57.941%0.40632%0.315SS..EExtended strand (participates in β ladder)trans-103.1143.8177.666.80000110.1V194 R195S187-V194 CarbonylContact O-C 3.55Å; S187-V194 WeakPolarHBondContact O-CA 3.37Å; S187-R195 PolarHBondContact N-O 3.45Å; S187-R195 PolarHBondContact O-N 3.16Å; S187-R195 PolarHBondContact OG-O 3.23Å
188I74.3Confident74.3Confident53 Ų5359 Ų5927%0.27233%0.325SS..EExtended strand (participates in β ladder)trans-128.3118.2177.7-54.4-164.1000108.4P92 F109 H193 V194P92-I188 HydrophobicContact CB-CD1 3.53Å; P92-I188 HydrophobicContact CG-CD1 4.45Å; F109-I188 HydrophobicContact CE2-CD1 3.56Å; F109-I188 HydrophobicContact CE2-CG1 4.26Å; F109-I188 HydrophobicContact CZ-CD1 4.13Å; F109-I188 HydrophobicContact CZ-CG1 4.45Å; I188-H193 WeakPolarHBondContact CA-O 3.4Å; I188-V194 HydrophobicContact CD1-CG2 4.25Å; I188-V194 HydrophobicContact CG1-CG2 4.36Å
189S67Low72.7Confident36 Ų3665.2 Ų65.225%0.25235%0.353SS..  trans-67.4162.3-179.880.60000112Q191 R192 H193S189-Q191 PolarHBondContact O-N 3.24Å; S189-Q191 VanDerWaalsContact O-N 3.16Å; S189-Q191 PolarHBondContact OG-N 3.11Å; S189-Q191 PolarHBondContact OG-OE1 2.79Å; S189-R192 WeakPolarHBondContact O-CA 3.24Å; S189-R192 PolarHBondContact O-N 3.48Å; S189-R192 PolarHBondContact OG-N 3.43Å; S189-H193 PolarHBondContact N-O 3.43Å; S189-H193 WeakPolarHBondContact OG-CB 3.37Å; S189-H193 PolarHBondContact OG-N 2.92Å
190P63.6Low70.8Confident91 Ų9176.5 Ų76.559%0.59140%0.396SS*.THydrogen-bonded Turntrans-53.3-32168.7-26.635.9000112.8R192P190-R192 PolarHBondContact O-N 3.39Å
191Q68Low68.8Low134 Ų13483.6 Ų83.663%0.62643%0.428SS*.THydrogen-bonded Turntrans-82.519.4174.4-54.4789.500113.2S189 H193S189-Q191 PolarHBondContact O-N 3.24Å; S189-Q191 VanDerWaalsContact O-N 3.16Å; S189-Q191 PolarHBondContact OG-N 3.11Å; S189-Q191 PolarHBondContact OG-OE1 2.79Å; Q191-H193 PolarHBondContact O-N 2.87Å; Q191-H193 VanDerWaalsContact O-N 3.08Å; Q191-H193 PolarHBondContact O-ND1 3.32Å
192R67.4Low66.9Low126 Ų12689.4 Ų89.448%0.47545%0.45SS..  trans6110.8179.1-55.9-63.1-175.1-179.81.5116.5S189 P190 V194S189-R192 WeakPolarHBondContact O-CA 3.24Å; S189-R192 PolarHBondContact O-N 3.48Å; S189-R192 PolarHBondContact OG-N 3.43Å; P190-R192 PolarHBondContact O-N 3.39Å; R192-V194 PolarHBondContact O-N 3.46Å
193H73.2Confident64.5Low126 Ų12694.7 Ų94.758%0.58347%0.468SS*.  trans-74.1121177.3-66.256.4000109.3I188 S189 Q191I188-H193 WeakPolarHBondContact CA-O 3.4Å; S189-H193 PolarHBondContact N-O 3.43Å; S189-H193 WeakPolarHBondContact OG-CB 3.37Å; S189-H193 PolarHBondContact OG-N 2.92Å; Q191-H193 PolarHBondContact O-N 2.87Å; Q191-H193 VanDerWaalsContact O-N 3.08Å; Q191-H193 PolarHBondContact O-ND1 3.32Å
194V77.2Confident62.1Low13 Ų1396 Ų968%0.07949%0.486CS..EExtended strand (participates in β ladder)trans-79.1138172.6-1760000109P92 V94 V107 V186 S187 I188 R192 F196P92-V194 HydrophobicContact CB-CG2 4.19Å; V94-V194 HydrophobicContact CB-CB 3.96Å; V94-V194 HydrophobicContact CB-CG1 4.5Å; V94-V194 HydrophobicContact CB-CG2 4.21Å; V94-V194 HydrophobicContact CG1-CB 4.1Å; V94-V194 HydrophobicContact CG1-CG1 4.17Å; V94-V194 HydrophobicContact CG1-CG2 4.22Å; V94-V194 HydrophobicContact CG2-CB 4.36Å; V107-V194 HydrophobicContact CG2-CG1 3.93Å; V107-V194 HydrophobicContact CG2-CG2 4.13Å; V186-V194 HydrophobicContact CG1-CG1 3.7Å; S187-V194 CarbonylContact O-C 3.55Å; S187-V194 WeakPolarHBondContact O-CA 3.37Å; I188-V194 HydrophobicContact CD1-CG2 4.25Å; I188-V194 HydrophobicContact CG1-CG2 4.36Å; R192-V194 PolarHBondContact O-N 3.46Å; V194-F196 HydrophobicContact CG1-CD2 4.45Å; V194-F196 HydrophobicContact CG1-CE1 4.44Å; V194-F196 HydrophobicContact CG1-CE2 3.9Å; V194-F196 HydrophobicContact CG1-CZ 3.89Å
195R78.3Confident60.5Low171 Ų17197.5 Ų97.565%0.64550%0.495SS*.EExtended strand (participates in β ladder)trans-133.3139164.4-67177.8177.6170.9-2.9110.4E153 S187E153-R195 VanDerWaalsContact OE1-CA 3.27Å; E153-R195 WeakPolarHBondContact OE1-CA 3.3Å; S187-R195 PolarHBondContact N-O 3.45Å; S187-R195 PolarHBondContact O-N 3.16Å; S187-R195 PolarHBondContact OG-O 3.23Å
196F77.6Confident59.2Low9 Ų998.7 Ų98.74%0.03952%0.515CS..EExtended strand (participates in β ladder)trans-95.9120.9174.8-57.7-89.7000109.1V94 V96 V107 E153 L175 L183 V186 V194V94-F196 HydrophobicContact CG1-CE2 4.07Å; V94-F196 HydrophobicContact CG1-CZ 4.1Å; V94-F196 HydrophobicContact CG2-CE2 4.12Å; V96-F196 HydrophobicContact CG2-CE2 3.95Å; V96-F196 HydrophobicContact CG2-CZ 4.12Å; V107-F196 HydrophobicContact CG2-CZ 4.31Å; E153-F196 WeakPolarHBondContact CG-O 3.47Å; E153-F196 PolarHBondContact OE1-N 3.26Å; L175-F196 HydrophobicContact CD1-CE1 4.24Å; L175-F196 HydrophobicContact CD1-CZ 4.11Å; L183-F196 HydrophobicContact CB-CD1 3.97Å; L183-F196 HydrophobicContact CD1-CD1 3.56Å; L183-F196 HydrophobicContact CD1-CE1 3.48Å; L183-F196 VanDerWaalsContact CD1-CE1 3.48Å; L183-F196 HydrophobicContact CD1-CG 4.46Å; L183-F196 HydrophobicContact CD1-CZ 4.31Å; L183-F196 HydrophobicContact CG-CD1 4.34Å; V186-F196 HydrophobicContact CG1-CD1 4.44Å; V186-F196 HydrophobicContact CG1-CE1 4.27Å; V186-F196 HydrophobicContact CG2-CD1 3.66Å; V186-F196 HydrophobicContact CG2-CE1 3.84Å; V194-F196 HydrophobicContact CG1-CD2 4.45Å; V194-F196 HydrophobicContact CG1-CE1 4.44Å; V194-F196 HydrophobicContact CG1-CE2 3.9Å; V194-F196 HydrophobicContact CG1-CZ 3.89Å
197G63.8Low57.9Low25 Ų25101.1 Ų101.126%0.25854%0.543SS..EExtended strand (participates in β ladder)trans-79120.1179.500000110.8V185 E199V185-G197 PolarHBondContact O-N 3.44Å; G197-E199 PolarHBondContact O-N 3.38Å
198T55.6Low57Low88 Ų88101.5 Ų101.554%0.5454%0.543SS..  trans-82.914.3179.149.40000113.9E153 R200E153-T198 HydrophobicContact CB-CG2 3.84Å; E153-T198 WeakPolarHBondContact O-CG2 3.48Å; T198-R200 VanDerWaalsContact C-N 3.27Å; T198-R200 PolarHBondContact O-N 2.76Å
199E51.8Low56.3Low163 Ų163103 Ų10376%0.76256%0.563SS**  trans-66.787.3177.3-73.7178.3-166.500110.6G197 E201G197-E199 PolarHBondContact O-N 3.38Å; E199-E201 VanDerWaalsContact C-N 3.32Å
200R47.8Very low56.2Low237 Ų237103.7 Ų103.789%0.89458%0.576SS**  trans-98.919.5165.4-149.2-175-169.2-169.92.9111.3T198 E202T198-R200 VanDerWaalsContact C-N 3.27Å; T198-R200 PolarHBondContact O-N 2.76Å; R200-E202 PolarHBondContact O-N 2.88Å
201E39.9Very low56.7Low165 Ų165103 Ų10377%0.77157%0.566SS**  trans-62.9116.5152.3-77.1-164.1141.900106.9E199 M203E199-E201 VanDerWaalsContact C-N 3.32Å; E201-M203 PolarHBondContact O-N 2.9Å
202E40.3Very low57.2Low187 Ų187102.8 Ų102.887%0.87456%0.563SS**  trans-67.377.3162.1-67.1-176.7158.400107.7R200 G204R200-E202 PolarHBondContact O-N 2.88Å; E202-G204 PolarHBondContact O-N 2.92Å
203M35Very low57.6Low161 Ų16198.5 Ų98.579%0.79355%0.55SS*.  trans-61.296161.8-165.265.5178.100105.5E201 A205E201-M203 PolarHBondContact O-N 2.9Å; M203-A205 PolarHBondContact O-N 2.9Å
204G32.5Very low57.8Low43 Ų4396.5 Ų96.544%0.44354%0.541SS..  trans-53.2132.4-161.200000111E202 A206 G207E202-G204 PolarHBondContact O-N 2.92Å; G204-A206 PolarHBondContact O-N 3.47Å; G204-G207 PolarHBondContact O-N 3.35Å
205A41.7Very low57.3Low55 Ų5596.9 Ų96.946%0.45555%0.547SS..G310 helixtrans-55-17.2-179.500000113.1M203 G207 V208M203-A205 PolarHBondContact O-N 2.9Å; A205-G207 PolarHBondContact O-N 3.19Å; A205-G207 VanDerWaalsContact O-N 3.16Å; A205-V208 PolarHBondContact O-N 2.81Å
206A42.9Very low56.8Low113 Ų11397.1 Ų97.193%0.93455%0.553SS**G310 helixtrans-54.8-17.6168.700000115.8G204G204-A206 PolarHBondContact O-N 3.47Å
207G47.6Very low56.2Low69 Ų69100.2 Ų100.271%0.71157%0.569SS**G310 helixtrans-109.1-17.7-179.900000116G204 A205 A209G204-G207 PolarHBondContact O-N 3.35Å; A205-G207 PolarHBondContact O-N 3.19Å; A205-G207 VanDerWaalsContact O-N 3.16Å; G207-A209 PolarHBondContact O-N 3.31Å
208V50.8Low56.2Low66 Ų66100 Ų10040%0.456%0.562SS.*  trans-85.5101-175.5-177.10000109.3A205 G210 P224A205-V208 PolarHBondContact O-N 2.81Å; V208-G210 PolarHBondContact O-N 2.84Å; V208-P224 HydrophobicContact CB-CB 4.08Å; V208-P224 HydrophobicContact CG1-CB 4.08Å; V208-P224 WeakPolarHBondContact O-CG 3.27Å
209A59.6Low57Low85 Ų8596.3 Ų96.370%0.70254%0.54SS*.PPolyproline II helixtrans-58133.8169.400000110.1G207 I211G207-A209 PolarHBondContact O-N 3.31Å; A209-I211 PolarHBondContact O-N 3.16Å; A209-I211 VanDerWaalsContact O-N 3.12Å
210G65.7Low57.9Low50 Ų5089.8 Ų89.852%0.51551%0.51SS..PPolyproline II helixtrans-56.5118.3179.300000111V208 K212 F222V208-G210 PolarHBondContact O-N 2.84Å; G210-K212 PolarHBondContact O-N 2.94Å; G210-F222 WeakPolarHBondContact CA-O 3.45Å
211I73.1Confident59.1Low76 Ų7681.1 Ų81.139%0.3948%0.484SS..PPolyproline II helixtrans-71.1123.2-176.6-55.2172.7000108A209 L213 T221 F222 W229A209-I211 PolarHBondContact O-N 3.16Å; A209-I211 VanDerWaalsContact O-N 3.12Å; I211-L213 HydrophobicContact CG2-CD2 4.43Å; I211-L213 HydrophobicContact CG2-CG 4.33Å; I211-T221 CarbonylContact O-C 3.49Å; I211-T221 VanDerWaalsContact O-CA 3.27Å; I211-T221 WeakPolarHBondContact O-CA 3.25Å; I211-F222 HydrophobicContact CB-CB 3.99Å; I211-F222 HydrophobicContact CD1-CD1 4.41Å; I211-F222 HydrophobicContact CG1-CB 4.43Å; I211-F222 PolarHBondContact O-N 2.8Å; I211-W229 HydrophobicContact CB-CH2 4.2Å; I211-W229 HydrophobicContact CD1-CH2 4.29Å; I211-W229 HydrophobicContact CD1-CZ2 4.5Å; I211-W229 HydrophobicContact CG2-CH2 4.04Å; I211-W229 HydrophobicContact CG2-CZ3 4.44Å
212K79.5Confident60.8Low130 Ų13075.3 Ų75.357%0.56546%0.456SS*.EExtended strand (participates in β ladder)trans-121.7117.5177.5-176.4171179.6-173.20110.5G210 E214 L220 T221G210-K212 PolarHBondContact O-N 2.94Å; K212-E214 WeakPolarHBondContact CE-OE1 3.39Å; K212-E214 HydrophobicContact CG-CG 4.39Å; K212-E214 IonicContact NZ-OE1 2.95Å; K212-E214 PolarHBondContact NZ-OE1 3.48Å; K212-L220 WeakPolarHBondContact CA-O 3.36Å; K212-T221 HydrophobicContact CB-CG2 4.26Å; K212-T221 HydrophobicContact CD-CG2 4.25Å; K212-T221 HydrophobicContact CG-CG2 3.91Å
213L75.1Confident62.3Low36 Ų3669.6 Ų69.619%0.18843%0.431CS..EExtended strand (participates in β ladder)trans-111.6124.1173.8-54.2172.6000108.4L6 V10 I211 A219 L220 W229L6-L213 HydrophobicContact CD2-CD2 3.74Å; V10-L213 HydrophobicContact CG2-CD1 3.85Å; I211-L213 HydrophobicContact CG2-CD2 4.43Å; I211-L213 HydrophobicContact CG2-CG 4.33Å; L213-A219 CarbonylContact O-C 3.59Å; L213-A219 VanDerWaalsContact O-CA 3.3Å; L213-A219 WeakPolarHBondContact O-CA 3.05Å; L213-L220 HydrophobicContact CB-CB 4.23Å; L213-L220 HydrophobicContact CD1-CB 4.49Å; L213-L220 HydrophobicContact CD1-CD1 4.13Å; L213-L220 PolarHBondContact N-O 3.37Å; L213-L220 PolarHBondContact O-N 2.94Å; L213-W229 HydrophobicContact CD1-CZ3 4.47Å
214E77.9Confident63.5Low85 Ų8563.3 Ų63.340%0.39740%0.402SS..EExtended strand (participates in β ladder)trans-111103.4175.7-68.7-78.4-167.600108.1K212 A219 R234K212-E214 WeakPolarHBondContact CE-OE1 3.39Å; K212-E214 HydrophobicContact CG-CG 4.39Å; K212-E214 IonicContact NZ-OE1 2.95Å; K212-E214 PolarHBondContact NZ-OE1 3.48Å; E214-A219 VanDerWaalsContact OE2-CB 3.26Å; E214-A219 WeakPolarHBondContact OE2-CB 3.4Å; E214-R234 IonicContact OE1-CZ 2.76Å; E214-R234 IonicContact OE1-NH2 3.15Å; E214-R234 PolarHBondContact OE1-NH2 2.97Å; E214-R234 IonicContact OE2-CZ 3.44Å; E214-R234 IonicContact OE2-NE 3.38Å; E214-R234 PolarHBondContact OE2-NE 3.44Å; E214-R234 IonicContact OE2-NH2 2.96Å; E214-R234 PolarHBondContact OE2-NH2 2.92Å
215G66.4Low65.2Low20 Ų2066.9 Ų66.921%0.20642%0.416CS..EExtended strand (participates in β ladder)trans-91.5167.1167.400000111D217 F218G215-D217 VanDerWaalsContact C-N 3.27Å; G215-D217 PolarHBondContact O-N 3.24Å; G215-F218 CarbonylContact C-O 3.47Å; G215-F218 WeakPolarHBondContact CA-O 3.43Å; G215-F218 PolarHBondContact N-O 3.31Å
216K69.1Low66.4Low177 Ų17767.1 Ų67.177%0.7742%0.418SS*.THydrogen-bonded Turntrans-52.6-44.8-179.8-173.3-172.8174.1-174.70112.9
217D64.1Low67.4Low73 Ų7369 Ų6939%0.3940%0.4SS..THydrogen-bonded Turntrans-113.86.1-170.7-49.1-58.5000113.2G215 W233 R234G215-D217 VanDerWaalsContact C-N 3.27Å; G215-D217 PolarHBondContact O-N 3.24Å; D217-W233 CarbonylContact O-C 3.53Å; D217-R234 CarbonylContact C-O 3.58Å; D217-R234 VanDerWaalsContact CA-O 3.25Å; D217-R234 WeakPolarHBondContact CA-O 3.3Å; D217-R234 CarbonylContact O-C 3.34Å; D217-R234 PolarHBondContact O-N 2.92Å
218F64.9Low67.8Low22 Ų2268.1 Ų68.110%0.09638%0.383CS..EExtended strand (participates in β ladder)trans-161.4149.3-175.967.6-81.1000112.4V10 G215 L220 A232 W233V10-F218 HydrophobicContact CG1-CZ 4.04Å; G215-F218 CarbonylContact C-O 3.47Å; G215-F218 WeakPolarHBondContact CA-O 3.43Å; G215-F218 PolarHBondContact N-O 3.31Å; F218-L220 HydrophobicContact CD2-CD1 4.34Å; F218-L220 HydrophobicContact CD2-CG 3.92Å; F218-L220 HydrophobicContact CE2-CD1 4.01Å; F218-L220 HydrophobicContact CE2-CG 4.05Å; F218-A232 CarbonylContact C-O 3.59Å; F218-A232 VanDerWaalsContact CA-O 3.29Å; F218-A232 WeakPolarHBondContact CA-O 3.33Å; F218-W233 HydrophobicContact CB-CE3 3.98Å; F218-W233 HydrophobicContact CB-CZ3 4.27Å
219A71Confident68.6Low10 Ų1070.8 Ų70.88%0.08339%0.386CS..EExtended strand (participates in β ladder)trans-112139.216300000109.5L213 E214 A231 A232L213-A219 CarbonylContact O-C 3.59Å; L213-A219 VanDerWaalsContact O-CA 3.3Å; L213-A219 WeakPolarHBondContact O-CA 3.05Å; E214-A219 VanDerWaalsContact OE2-CB 3.26Å; E214-A219 WeakPolarHBondContact OE2-CB 3.4Å; A219-A231 WeakPolarHBondContact O-CA 3.43Å; A219-A232 HydrophobicContact CB-CB 4.42Å; A219-A232 PolarHBondContact N-O 3.45Å; A219-A232 PolarHBondContact O-N 3.1Å
220L70.4Confident68.7Low25 Ų2570.3 Ų70.313%0.13138%0.375CS..EExtended strand (participates in β ladder)trans-114.4127166.3-62.3170000108.4K212 L213 F218 W229 T230 A231K212-L220 WeakPolarHBondContact CA-O 3.36Å; L213-L220 HydrophobicContact CB-CB 4.23Å; L213-L220 HydrophobicContact CD1-CB 4.49Å; L213-L220 HydrophobicContact CD1-CD1 4.13Å; L213-L220 PolarHBondContact N-O 3.37Å; L213-L220 PolarHBondContact O-N 2.94Å; F218-L220 HydrophobicContact CD2-CD1 4.34Å; F218-L220 HydrophobicContact CD2-CG 3.92Å; F218-L220 HydrophobicContact CE2-CD1 4.01Å; F218-L220 HydrophobicContact CE2-CG 4.05Å; L220-W229 HydrophobicContact CB-CE3 4.04Å; L220-W229 HydrophobicContact CB-CZ3 4.06Å; L220-T230 WeakPolarHBondContact CA-O 3.42Å; L220-A231 HydrophobicContact CD2-CB 3.61Å
221T74.2Confident68.7Low56 Ų5670.1 Ų70.134%0.34437%0.368SS..EExtended strand (participates in β ladder)trans-121.7124.9169.451.70000110.2I211 K212 T230I211-T221 CarbonylContact O-C 3.49Å; I211-T221 VanDerWaalsContact O-CA 3.27Å; I211-T221 WeakPolarHBondContact O-CA 3.25Å; K212-T221 HydrophobicContact CB-CG2 4.26Å; K212-T221 HydrophobicContact CD-CG2 4.25Å; K212-T221 HydrophobicContact CG-CG2 3.91Å; T221-T230 PolarHBondContact N-O 3.02Å; T221-T230 PolarHBondContact O-N 3.42Å
222F75Confident68.1Low43 Ų4369 Ų6919%0.18937%0.37CS..EExtended strand (participates in β ladder)trans-89.3121.8169-176.8-115.1000109.8G210 I211 P224 C228 W229G210-F222 WeakPolarHBondContact CA-O 3.45Å; I211-F222 HydrophobicContact CB-CB 3.99Å; I211-F222 HydrophobicContact CD1-CD1 4.41Å; I211-F222 HydrophobicContact CG1-CB 4.43Å; I211-F222 PolarHBondContact O-N 2.8Å; F222-P224 HydrophobicContact CD1-CB 4.44Å; F222-P224 HydrophobicContact CE1-CB 4.08Å; F222-P224 WeakPolarHBondContact O-CD 3.26Å; F222-C228 WeakPolarHBondContact CA-O 3.41Å; F222-C228 WeakPolarHBondContact CD2-O 3.37Å; F222-W229 HydrophobicContact CB-CD2 3.91Å; F222-W229 HydrophobicContact CB-CE3 3.84Å; F222-W229 HydrophobicContact CB-CH2 3.89Å; F222-W229 HydrophobicContact CB-CZ2 3.94Å; F222-W229 HydrophobicContact CB-CZ3 3.83Å; F222-W229 AromaticContact CD2-CD1 3.7Å; F222-W229 AromaticContact CD2-CD2 3.91Å; F222-W229 HydrophobicContact CD2-CD2 3.91Å; F222-W229 AromaticContact CD2-CE2 3.65Å; F222-W229 AromaticContact CD2-CG 3.96Å; F222-W229 HydrophobicContact CD2-CG 3.96Å; F222-W229 HydrophobicContact CD2-CZ2 4.24Å; F222-W229 AromaticContact CD2-NE1 3.49Å; F222-W229 AromaticContact CE2-NE1 3.95Å; F222-W229 HydrophobicContact CG-CD2 4.33Å; F222-W229 HydrophobicContact CG-CZ2 4.2Å
223D71.8Confident67.1Low66 Ų6669 Ų6935%0.35337%0.367SS..EExtended strand (participates in β ladder)trans-89.8112.1167.8-177.9-22.3000108.5V225 A226 R227 C228D223-V225 VanDerWaalsContact C-N 3.3Å; D223-V225 PolarHBondContact O-N 3.05Å; D223-V225 WeakPolarHBondContact OD1-CA 3.46Å; D223-V225 WeakPolarHBondContact OD1-CB 3.42Å; D223-V225 PolarHBondContact OD1-N 3.22Å; D223-A226 HydrophobicContact CB-CB 4.03Å; D223-A226 PolarHBondContact OD1-N 3.31Å; D223-A226 WeakPolarHBondContact OD2-CB 3.46Å; D223-R227 VanDerWaalsContact O-CA 3.24Å; D223-R227 WeakPolarHBondContact O-CA 3.45Å; D223-R227 PolarHBondContact O-N 3.01Å; D223-C228 PolarHBondContact N-O 3.3Å; D223-C228 PolarHBondContact O-N 3.43Å
224P60.6Low66.3Low29 Ų2973.5 Ų73.519%0.18838%0.381CS..THydrogen-bonded Turntrans-72.1-22.6-179.431.4-36.1000113V208 F222V208-P224 HydrophobicContact CB-CB 4.08Å; V208-P224 HydrophobicContact CG1-CB 4.08Å; V208-P224 WeakPolarHBondContact O-CG 3.27Å; F222-P224 HydrophobicContact CD1-CB 4.44Å; F222-P224 HydrophobicContact CE1-CB 4.08Å; F222-P224 WeakPolarHBondContact O-CD 3.26Å
225V67.3Low65.3Low119 Ų11973.3 Ų73.372%0.72138%0.377SS*.THydrogen-bonded Turntrans-80.1-49.6178.5-177.70000109.8D223 R227D223-V225 VanDerWaalsContact C-N 3.3Å; D223-V225 PolarHBondContact O-N 3.05Å; D223-V225 WeakPolarHBondContact OD1-CA 3.46Å; D223-V225 WeakPolarHBondContact OD1-CB 3.42Å; D223-V225 PolarHBondContact OD1-N 3.22Å; V225-R227 PolarHBondContact O-N 2.91Å
226A68.5Low64.5Low60 Ų6075.9 Ų75.950%0.49639%0.392SS..THydrogen-bonded Turntrans-76.8-8.2175.700000113.4D223 C228D223-A226 HydrophobicContact CB-CB 4.03Å; D223-A226 PolarHBondContact OD1-N 3.31Å; D223-A226 WeakPolarHBondContact OD2-CB 3.46Å; A226-C228 HydrophobicContact CB-CB 4.39Å; A226-C228 PolarHBondContact O-N 3.33Å
227R62.1Low63.4Low151 Ų15173.9 Ų73.957%0.5739%0.389SS*.THydrogen-bonded Turntrans50.136.6-174-60.8179.466.2103.2-4112.7D223 V225D223-R227 VanDerWaalsContact O-CA 3.24Å; D223-R227 WeakPolarHBondContact O-CA 3.45Å; D223-R227 PolarHBondContact O-N 3.01Å; V225-R227 PolarHBondContact O-N 2.91Å
228C56Low62.5Low52 Ų5271.6 Ų71.635%0.35138%0.381SS..EExtended strand (participates in β ladder)trans-125.3147.4-172.677.70000112.3F222 D223 A226F222-C228 WeakPolarHBondContact CA-O 3.41Å; F222-C228 WeakPolarHBondContact CD2-O 3.37Å; D223-C228 PolarHBondContact N-O 3.3Å; D223-C228 PolarHBondContact O-N 3.43Å; A226-C228 HydrophobicContact CB-CB 4.39Å; A226-C228 PolarHBondContact O-N 3.33Å
229W68.6Low61.6Low122 Ų12276.9 Ų76.946%0.46242%0.415SS..EExtended strand (participates in β ladder)trans-95.7122.8169.2-74.491.8000109.2I211 L213 L220 F222I211-W229 HydrophobicContact CB-CH2 4.2Å; I211-W229 HydrophobicContact CD1-CH2 4.29Å; I211-W229 HydrophobicContact CD1-CZ2 4.5Å; I211-W229 HydrophobicContact CG2-CH2 4.04Å; I211-W229 HydrophobicContact CG2-CZ3 4.44Å; L213-W229 HydrophobicContact CD1-CZ3 4.47Å; L220-W229 HydrophobicContact CB-CE3 4.04Å; L220-W229 HydrophobicContact CB-CZ3 4.06Å; F222-W229 HydrophobicContact CB-CD2 3.91Å; F222-W229 HydrophobicContact CB-CE3 3.84Å; F222-W229 HydrophobicContact CB-CH2 3.89Å; F222-W229 HydrophobicContact CB-CZ2 3.94Å; F222-W229 HydrophobicContact CB-CZ3 3.83Å; F222-W229 AromaticContact CD2-CD1 3.7Å; F222-W229 AromaticContact CD2-CD2 3.91Å; F222-W229 HydrophobicContact CD2-CD2 3.91Å; F222-W229 AromaticContact CD2-CE2 3.65Å; F222-W229 AromaticContact CD2-CG 3.96Å; F222-W229 HydrophobicContact CD2-CG 3.96Å; F222-W229 HydrophobicContact CD2-CZ2 4.24Å; F222-W229 AromaticContact CD2-NE1 3.49Å; F222-W229 AromaticContact CE2-NE1 3.95Å; F222-W229 HydrophobicContact CG-CD2 4.33Å; F222-W229 HydrophobicContact CG-CZ2 4.2Å
230T62.2Low60.4Low75 Ų7578 Ų7846%0.4643%0.427SS..EExtended strand (participates in β ladder)trans-98120.6169.3-63.50000109L220 T221L220-T230 WeakPolarHBondContact CA-O 3.42Å; T221-T230 PolarHBondContact N-O 3.02Å; T221-T230 PolarHBondContact O-N 3.42Å
231A65.7Low59.4Low45 Ų4585.2 Ų85.237%0.37247%0.466SS..EExtended strand (participates in β ladder)trans-102.7118172.400000110.2A219 L220A219-A231 WeakPolarHBondContact O-CA 3.43Å; L220-A231 HydrophobicContact CD2-CB 3.61Å
232A59.1Low58.8Low53 Ų5383.9 Ų83.944%0.43846%0.463SS..EExtended strand (participates in β ladder)trans-107.8113.8172.500000109.2F218 A219 R234F218-A232 CarbonylContact C-O 3.59Å; F218-A232 VanDerWaalsContact CA-O 3.29Å; F218-A232 WeakPolarHBondContact CA-O 3.33Å; A219-A232 HydrophobicContact CB-CB 4.42Å; A219-A232 PolarHBondContact N-O 3.45Å; A219-A232 PolarHBondContact O-N 3.1Å; A232-R234 PolarHBondContact O-N 3.29Å
233W59.6Low59Low131 Ų13184.3 Ų84.350%0.49647%0.471SS..  trans-79.6108.9178.9-61.789.8000109.8D217 F218 W235D217-W233 CarbonylContact O-C 3.53Å; F218-W233 HydrophobicContact CB-CE3 3.98Å; F218-W233 HydrophobicContact CB-CZ3 4.27Å; W233-W235 PolarHBondContact O-N 2.95Å
234R57Low59.6Low129 Ų12983.4 Ų83.449%0.48747%0.473SS..  trans-80.374.2169.6-64177.6-178.5-108.32.4107.7E214 D217 A232 S236E214-R234 IonicContact OE1-CZ 2.76Å; E214-R234 IonicContact OE1-NH2 3.15Å; E214-R234 PolarHBondContact OE1-NH2 2.97Å; E214-R234 IonicContact OE2-CZ 3.44Å; E214-R234 IonicContact OE2-NE 3.38Å; E214-R234 PolarHBondContact OE2-NE 3.44Å; E214-R234 IonicContact OE2-NH2 2.96Å; E214-R234 PolarHBondContact OE2-NH2 2.92Å; D217-R234 CarbonylContact C-O 3.58Å; D217-R234 VanDerWaalsContact CA-O 3.25Å; D217-R234 WeakPolarHBondContact CA-O 3.3Å; D217-R234 CarbonylContact O-C 3.34Å; D217-R234 PolarHBondContact O-N 2.92Å; A232-R234 PolarHBondContact O-N 3.29Å; R234-S236 PolarHBondContact O-N 3.16Å
235W57.9Low60.9Low82 Ų8286.6 Ų86.631%0.31149%0.486SS..  trans-65.682.8160.3-63.699.2000107.2W233 D237 V251 A254W233-W235 PolarHBondContact O-N 2.95Å; W235-D237 PolarHBondContact O-N 2.86Å; W235-V251 HydrophobicContact CH2-CG2 4.03Å; W235-V251 HydrophobicContact CZ3-CG2 4.22Å; W235-A254 HydrophobicContact CH2-CB 4.15Å; W235-A254 HydrophobicContact CZ3-CB 4.24Å
236S49.9Very low61.9Low74 Ų7485.8 Ų85.852%0.51747%0.474SS..THydrogen-bonded Turntrans-57.1102.8-17534.50000109R234 A238R234-S236 PolarHBondContact O-N 3.16Å; S236-A238 PolarHBondContact O-N 2.82Å
237D46.3Very low62.8Low135 Ų13584.1 Ų84.172%0.72246%0.455SS*.THydrogen-bonded Turntrans33.449.6172.3-52.1-35.6000114.4W235 T239 G240W235-D237 PolarHBondContact O-N 2.86Å; D237-T239 PolarHBondContact O-N 3.08Å; D237-G240 PolarHBondContact O-N 3.06Å
238A44.9Very low64.1Low25 Ų2576.9 Ų76.921%0.20743%0.428CS..THydrogen-bonded Turntrans-69.74.5171.700000112.7S236 G240 R250S236-A238 PolarHBondContact O-N 2.82Å; A238-G240 VanDerWaalsContact C-N 3.31Å; A238-R250 PolarHBondContact O-NH2 3.01Å
239T45.7Very low65.7Low133 Ų13376.2 Ų76.282%0.81642%0.423SS*.THydrogen-bonded Turntrans-79.5-1.715937.90000113.9D237 D241D237-T239 PolarHBondContact O-N 3.08Å; T239-D241 PolarHBondContact O-N 3.46Å
240G46.2Very low66.6Low33 Ų3374.7 Ų74.734%0.3442%0.418SS..SBendtrans-60.6104.4157.700000109.1D237 A238 G242D237-G240 PolarHBondContact O-N 3.06Å; A238-G240 VanDerWaalsContact C-N 3.31Å; G240-G242 PolarHBondContact O-N 3.29Å
241D49.5Very low67.7Low177 Ų17771.2 Ų71.295%0.94740%0.396SS*.SBendtrans40.94.2146.266.1-19.7000121.4T239T239-D241 PolarHBondContact O-N 3.46Å
242G60.2Low68.8Low27 Ų2769 Ų6928%0.27838%0.378SS..  trans-90.5149.3-178.800000113.6G240G240-G242 PolarHBondContact O-N 3.29Å
243S79.5Confident70.1Confident52 Ų5270.6 Ų70.636%0.36438%0.376SS..  trans-60.8157.3173.175.30000111.4E245 Q246 W247S243-E245 PolarHBondContact O-N 3.06Å; S243-E245 WeakPolarHBondContact OG-CB 3.45Å; S243-E245 PolarHBondContact OG-N 3.27Å; S243-E245 PolarHBondContact OG-OE2 3.07Å; S243-Q246 PolarHBondContact O-N 2.87Å; S243-W247 PolarHBondContact O-N 2.91Å
244A84.5Confident71Confident48 Ų4867.5 Ų67.540%0.39738%0.379SS..Hα-helixtrans-55.1-25.9174.600000112.6I248 L278A244-I248 WeakPolarHBondContact O-CB 3.33Å; A244-I248 WeakPolarHBondContact O-CD1 3.49Å; A244-I248 WeakPolarHBondContact O-CG1 3.44Å; A244-I248 PolarHBondContact O-N 3.2Å; A244-L278 HydrophobicContact CB-CD2 3.78Å
245E88.7Confident71.9Confident96 Ų9662.4 Ų62.445%0.44936%0.362SS..Hα-helixtrans-67.5-44175.2-60.6162.2157.200112.2S243 W247 I248 S249 L278 V282S243-E245 PolarHBondContact O-N 3.06Å; S243-E245 WeakPolarHBondContact OG-CB 3.45Å; S243-E245 PolarHBondContact OG-N 3.27Å; S243-E245 PolarHBondContact OG-OE2 3.07Å; E245-W247 VanDerWaalsContact C-N 3.34Å; E245-W247 PolarHBondContact O-N 2.87Å; E245-I248 PolarHBondContact O-N 3.08Å; E245-S249 WeakPolarHBondContact O-CB 3.33Å; E245-S249 PolarHBondContact O-N 3.45Å; E245-L278 HydrophobicContact CG-CD1 3.62Å; E245-L278 HydrophobicContact CG-CD2 4.16Å; E245-L278 HydrophobicContact CG-CG 4Å; E245-V282 HydrophobicContact CB-CG2 3.78Å; E245-V282 HydrophobicContact CG-CG2 4.01Å
246Q87.4Confident73Confident102 Ų10261.1 Ų61.148%0.47737%0.374SS..Hα-helixtrans-63-42.8176.5-66.2-176.6-5.800111.1S243 S249 R250S243-Q246 PolarHBondContact O-N 2.87Å; Q246-S249 PolarHBondContact O-N 3.41Å; Q246-R250 WeakPolarHBondContact O-CG 3.39Å; Q246-R250 PolarHBondContact O-N 2.95Å
247W87.3Confident74.6Confident24 Ų2460.1 Ų60.19%0.09136%0.361CS..Hα-helixtrans-63.4-44.117517382.5000112.1S243 E245 S249 R250 V251 A267 V270 Q271 V274S243-W247 PolarHBondContact O-N 2.91Å; E245-W247 VanDerWaalsContact C-N 3.34Å; E245-W247 PolarHBondContact O-N 2.87Å; W247-S249 VanDerWaalsContact C-N 3.31Å; W247-S249 PolarHBondContact O-N 3.24Å; W247-R250 PolarHBondContact O-N 2.67Å; W247-V251 HydrophobicContact CD2-CG2 4.37Å; W247-V251 HydrophobicContact CH2-CG2 4.39Å; W247-V251 HydrophobicContact CZ2-CG2 3.82Å; W247-V251 WeakPolarHBondContact O-CG2 3.44Å; W247-V251 PolarHBondContact O-N 3.19Å; W247-A267 HydrophobicContact CH2-CB 3.72Å; W247-A267 WeakPolarHBondContact CH2-O 3.47Å; W247-A267 HydrophobicContact CZ3-CB 4.08Å; W247-V270 HydrophobicContact CZ2-CB 3.92Å; W247-V270 HydrophobicContact CZ2-CG1 3.87Å; W247-Q271 HydrophobicContact CH2-CB 3.66Å; W247-Q271 HydrophobicContact CZ2-CB 4.12Å; W247-Q271 HydrophobicContact CZ3-CB 4.17Å; W247-V274 HydrophobicContact CZ3-CB 4.14Å; W247-V274 HydrophobicContact CZ3-CG2 3.89Å
248I90Very high76.3Confident0 Ų054.7 Ų54.70%033%0.334CS..Hα-helixtrans-59.6-42.6173.5-71.6160.8000111.3A244 E245 V251 H252 V274 L278 L279 V282A244-I248 WeakPolarHBondContact O-CB 3.33Å; A244-I248 WeakPolarHBondContact O-CD1 3.49Å; A244-I248 WeakPolarHBondContact O-CG1 3.44Å; A244-I248 PolarHBondContact O-N 3.2Å; E245-I248 PolarHBondContact O-N 3.08Å; I248-V251 PolarHBondContact O-N 2.81Å; I248-H252 WeakPolarHBondContact O-CB 3.16Å; I248-H252 PolarHBondContact O-N 2.85Å; I248-V274 HydrophobicContact CD1-CG2 3.75Å; I248-V274 HydrophobicContact CG1-CG2 3.91Å; I248-L278 HydrophobicContact CD1-CB 4.25Å; I248-L278 HydrophobicContact CD1-CD2 3.83Å; I248-L278 HydrophobicContact CD1-CG 3.88Å; I248-L279 HydrophobicContact CD1-CB 4.04Å; I248-L279 HydrophobicContact CG1-CB 4.47Å; I248-L279 HydrophobicContact CG2-CB 4.07Å; I248-L279 HydrophobicContact CG2-CD1 4.19Å; I248-L279 HydrophobicContact CG2-CG 3.65Å; I248-V282 HydrophobicContact CB-CB 4.44Å; I248-V282 HydrophobicContact CB-CG1 4.29Å; I248-V282 HydrophobicContact CB-CG2 4.28Å; I248-V282 HydrophobicContact CG2-CB 3.75Å; I248-V282 HydrophobicContact CG2-CG1 3.74Å; I248-V282 HydrophobicContact CG2-CG2 4.08Å
249S90.2Very high78.2Confident37 Ų3754.8 Ų54.826%0.25934%0.337SS..Hα-helixtrans-62.3-45.6179.3-178.20000111E245 Q246 W247 V251 H252 H253E245-S249 WeakPolarHBondContact O-CB 3.33Å; E245-S249 PolarHBondContact O-N 3.45Å; Q246-S249 PolarHBondContact O-N 3.41Å; W247-S249 VanDerWaalsContact C-N 3.31Å; W247-S249 PolarHBondContact O-N 3.24Å; S249-V251 PolarHBondContact O-N 3.46Å; S249-H252 WeakPolarHBondContact O-CB 3.46Å; S249-H252 PolarHBondContact O-N 3.04Å; S249-H253 PolarHBondContact O-N 3.39Å; S249-H253 PolarHBondContact OG-CE1 2.93Å
250R86.3Confident80.1Confident91 Ų9150.8 Ų50.834%0.34331%0.312SS..Hα-helixtrans-55-48171.4-72.3-172.7-70.4-103.313.1111.7A238 Q246 W247 A254A238-R250 PolarHBondContact O-NH2 3.01Å; Q246-R250 WeakPolarHBondContact O-CG 3.39Å; Q246-R250 PolarHBondContact O-N 2.95Å; W247-R250 PolarHBondContact O-N 2.67Å; R250-A254 WeakPolarHBondContact O-CB 3.13Å; R250-A254 PolarHBondContact O-N 2.88Å
251V86.3Confident81.8Confident1 Ų155.8 Ų55.81%0.00632%0.321CS..Hα-helixtrans-59.5-50.9175.2173.30000110.6W235 W247 I248 S249 H253 A254 V255 F266 A267W235-V251 HydrophobicContact CH2-CG2 4.03Å; W235-V251 HydrophobicContact CZ3-CG2 4.22Å; W247-V251 HydrophobicContact CD2-CG2 4.37Å; W247-V251 HydrophobicContact CH2-CG2 4.39Å; W247-V251 HydrophobicContact CZ2-CG2 3.82Å; W247-V251 WeakPolarHBondContact O-CG2 3.44Å; W247-V251 PolarHBondContact O-N 3.19Å; I248-V251 PolarHBondContact O-N 2.81Å; S249-V251 PolarHBondContact O-N 3.46Å; V251-H253 PolarHBondContact O-N 3.04Å; V251-A254 PolarHBondContact O-N 3Å; V251-V255 HydrophobicContact CG1-CG1 4.4Å; V251-V255 WeakPolarHBondContact O-CG1 3.4Å; V251-V255 WeakPolarHBondContact O-CG2 3.25Å; V251-V255 PolarHBondContact O-N 3.48Å; V251-F266 HydrophobicContact CG1-CB 4.11Å; V251-A267 HydrophobicContact CG1-CB 4.27Å
252H88.4Confident83.2Confident0 Ų052 Ų520%029%0.293CS..Hα-helixtrans-56.7-44.5-177.9179.957.8000113.4I248 S249 H257 T263 V283 C289I248-H252 WeakPolarHBondContact O-CB 3.16Å; I248-H252 PolarHBondContact O-N 2.85Å; S249-H252 WeakPolarHBondContact O-CB 3.46Å; S249-H252 PolarHBondContact O-N 3.04Å; H252-H257 AromaticContact CD2-ND1 3.61Å; H252-H257 VanDerWaalsContact CE1-CA 3.47Å; H252-H257 WeakPolarHBondContact CE1-CA 3.44Å; H252-H257 AromaticContact NE2-CG 3.96Å; H252-H257 AromaticContact NE2-ND1 3.21Å; H252-H257 PolarHBondContact NE2-ND1 3.29Å; H252-H257 PolarHBondContact O-N 3.2Å; H252-H257 VanDerWaalsContact O-N 3.09Å; H252-T263 HydrophobicContact CB-CG2 3.73Å; H252-T263 PolarHBondContact ND1-OG1 3.18Å; H252-V283 HydrophobicContact CB-CG2 4.47Å; H252-C289 PolarHBondContact NE2-SG 3.36Å
253H86.2Confident84.4Confident85 Ų8550.7 Ų50.739%0.39428%0.28SS..Hα-helixtrans-69.8-49.1178-63.9178.4000110.9S249 V251 V255 G256 H257 C286S249-H253 PolarHBondContact O-N 3.39Å; S249-H253 PolarHBondContact OG-CE1 2.93Å; V251-H253 PolarHBondContact O-N 3.04Å; H253-V255 PolarHBondContact O-N 3.16Å; H253-V255 VanDerWaalsContact O-N 3.16Å; H253-G256 PolarHBondContact O-N 3.14Å; H253-H257 AromaticContact CD2-CE1 3.14Å; H253-H257 PolarHBondContact CD2-CE1 2.9Å; H253-H257 AromaticContact CD2-ND1 3.82Å; H253-H257 AromaticContact CD2-NE2 3.85Å; H253-H257 AromaticContact CG-CE1 3.93Å; H253-H257 AromaticContact NE2-CE1 3.61Å; H253-C286 PolarHBondContact NE2-SG 3Å
254A78.4Confident84.7Confident67 Ų6749 Ų4955%0.55427%0.267SS*.Hα-helixtrans-62.3-23.3179.600000113.6W235 R250 V251W235-A254 HydrophobicContact CH2-CB 4.15Å; W235-A254 HydrophobicContact CZ3-CB 4.24Å; R250-A254 WeakPolarHBondContact O-CB 3.13Å; R250-A254 PolarHBondContact O-N 2.88Å; V251-A254 PolarHBondContact O-N 3Å
255V76.3Confident84.4Confident21 Ų2150.3 Ų50.313%0.12726%0.263CS..THydrogen-bonded Turntrans-95.410.3175.1-55.90000114.5V251 H253 P258 F266V251-V255 HydrophobicContact CG1-CG1 4.4Å; V251-V255 WeakPolarHBondContact O-CG1 3.4Å; V251-V255 WeakPolarHBondContact O-CG2 3.25Å; V251-V255 PolarHBondContact O-N 3.48Å; H253-V255 PolarHBondContact O-N 3.16Å; H253-V255 VanDerWaalsContact O-N 3.16Å; V255-P258 HydrophobicContact CB-CG 4.27Å; V255-P258 VanDerWaalsContact CG2-CD 3.48Å; V255-P258 HydrophobicContact CG2-CG 3.5Å; V255-P258 VanDerWaalsContact CG2-CG 3.5Å; V255-P258 WeakPolarHBondContact O-CD 3.31Å; V255-F266 HydrophobicContact CB-CD2 3.66Å; V255-F266 HydrophobicContact CB-CE2 3.99Å; V255-F266 HydrophobicContact CB-CG 4.34Å; V255-F266 HydrophobicContact CG1-CB 3.97Å; V255-F266 HydrophobicContact CG1-CD2 3.65Å; V255-F266 HydrophobicContact CG1-CE2 4.28Å; V255-F266 HydrophobicContact CG1-CG 3.8Å; V255-F266 HydrophobicContact CG2-CD2 3.7Å; V255-F266 HydrophobicContact CG2-CE2 4.28Å
256G80Confident84Confident56 Ų5647 Ų4758%0.57725%0.247SC*.THydrogen-bonded Turntrans77.543171.100000114.4H253 P258H253-G256 PolarHBondContact O-N 3.14Å; G256-P258 VanDerWaalsContact C-CD 3.47Å
257H85.3Confident83.9Confident53 Ų5342.2 Ų42.225%0.24522%0.224CC..SBendtrans49.343.3176.9-60.9-85.1000116.4H252 H253 G259 C286H252-H257 AromaticContact CD2-ND1 3.61Å; H252-H257 VanDerWaalsContact CE1-CA 3.47Å; H252-H257 WeakPolarHBondContact CE1-CA 3.44Å; H252-H257 AromaticContact NE2-CG 3.96Å; H252-H257 AromaticContact NE2-ND1 3.21Å; H252-H257 PolarHBondContact NE2-ND1 3.29Å; H252-H257 PolarHBondContact O-N 3.2Å; H252-H257 VanDerWaalsContact O-N 3.09Å; H253-H257 AromaticContact CD2-CE1 3.14Å; H253-H257 PolarHBondContact CD2-CE1 2.9Å; H253-H257 AromaticContact CD2-ND1 3.82Å; H253-H257 AromaticContact CD2-NE2 3.85Å; H253-H257 AromaticContact CG-CE1 3.93Å; H253-H257 AromaticContact NE2-CE1 3.61Å; H257-G259 PolarHBondContact O-N 3.29Å; H257-C286 VanDerWaalsContact CE1-SG 3.55Å; H257-C286 PolarHBondContact ND1-SG 3.34Å
258P80.3Confident83.8Confident21 Ų2146.5 Ų46.514%0.13624%0.24CC..  trans-83.223-163.837.9-39.4000114.4V255 G256 R262 F266V255-P258 HydrophobicContact CB-CG 4.27Å; V255-P258 VanDerWaalsContact CG2-CD 3.48Å; V255-P258 HydrophobicContact CG2-CG 3.5Å; V255-P258 VanDerWaalsContact CG2-CG 3.5Å; V255-P258 WeakPolarHBondContact O-CD 3.31Å; G256-P258 VanDerWaalsContact C-CD 3.47Å; P258-R262 HydrophobicContact CB-CB 3.7Å; P258-R262 HydrophobicContact CB-CG 4.2Å; P258-R262 HydrophobicContact CG-CB 3.69Å; P258-F266 HydrophobicContact CG-CE2 4.41Å
259G85.1Confident83.2Confident27 Ų2751.5 Ų51.528%0.27826%0.259SS..Hα-helixtrans70.1174.3-175.200000114.8H257 R261 T263H257-G259 PolarHBondContact O-N 3.29Å; G259-R261 PolarHBondContact O-N 3.24Å; G259-T263 WeakPolarHBondContact O-CB 3.44Å; G259-T263 PolarHBondContact O-N 3.21Å; G259-T263 PolarHBondContact O-OG1 3Å
260V86.9Confident82.4Confident48 Ų4853.1 Ų53.129%0.29127%0.268SS..Hα-helixtrans-56.2-49.9-170.5-177.70000112.1R262 T263 V264 L279 V283V260-R262 PolarHBondContact O-N 3.09Å; V260-T263 PolarHBondContact O-N 2.98Å; V260-V264 HydrophobicContact CG1-CG2 4.27Å; V260-V264 WeakPolarHBondContact O-CG2 3.26Å; V260-V264 PolarHBondContact O-N 2.87Å; V260-L279 HydrophobicContact CG1-CD2 4.09Å; V260-V283 HydrophobicContact CG2-CB 3.96Å; V260-V283 HydrophobicContact CG2-CG1 3.77Å
261R82.2Confident82.1Confident139 Ų13952.8 Ų52.853%0.52527%0.27SS..Hα-helixtrans-58.7-48.7-173.9-76.1-178.167.6-150.2-1.5112.7D135 G136 G259 V264 Y265D135-R261 PolarHBondContact O-NE 3.33Å; D135-R261 PolarHBondContact O-NH2 2.97Å; D135-R261 IonicContact OD2-CZ 3.56Å; D135-R261 IonicContact OD2-NH1 2.74Å; D135-R261 PolarHBondContact OD2-NH1 3.29Å; D135-R261 IonicContact OD2-NH2 2.77Å; D135-R261 PolarHBondContact OD2-NH2 3.16Å; G136-R261 VanDerWaalsContact C-NH2 3.32Å; G136-R261 PolarHBondContact O-NH2 3.43Å; G259-R261 PolarHBondContact O-N 3.24Å; R261-V264 PolarHBondContact O-N 2.82Å; R261-Y265 PolarHBondContact O-N 3.12Å
262R78.4Confident82.1Confident97 Ų9757.3 Ų57.337%0.36630%0.299SS..Hα-helixtrans-73-36.1179.8-60.3-156.3-150.4120.22.1111.9V134 P258 V260 V264 Y265 F266V134-R262 VanDerWaalsContact O-CD 3.24Å; V134-R262 WeakPolarHBondContact O-CD 3.37Å; P258-R262 HydrophobicContact CB-CB 3.7Å; P258-R262 HydrophobicContact CB-CG 4.2Å; P258-R262 HydrophobicContact CG-CB 3.69Å; V260-R262 PolarHBondContact O-N 3.09Å; R262-V264 VanDerWaalsContact C-N 3.32Å; R262-V264 PolarHBondContact O-N 3.35Å; R262-Y265 WeakPolarHBondContact O-CB 3.48Å; R262-Y265 PolarHBondContact O-N 3.16Å; R262-Y265 VanDerWaalsContact O-N 3.16Å; R262-F266 HydrophobicContact CB-CD2 4.47Å; R262-F266 HydrophobicContact CB-CE2 4.09Å; R262-F266 WeakPolarHBondContact O-CD2 3.29Å; R262-F266 PolarHBondContact O-N 3.2Å
263T84.6Confident81.9Confident0 Ų063.1 Ų63.10%034%0.335CS..Hα-helixtrans-61.6-40.7174.9-52.70000110.9H252 G259 V260 Y265 F266 A267 L279 V283H252-T263 HydrophobicContact CB-CG2 3.73Å; H252-T263 PolarHBondContact ND1-OG1 3.18Å; G259-T263 WeakPolarHBondContact O-CB 3.44Å; G259-T263 PolarHBondContact O-N 3.21Å; G259-T263 PolarHBondContact O-OG1 3Å; V260-T263 PolarHBondContact O-N 2.98Å; T263-Y265 PolarHBondContact O-N 3.4Å; T263-F266 PolarHBondContact O-N 2.88Å; T263-A267 VanDerWaalsContact O-CB 3.25Å; T263-A267 WeakPolarHBondContact O-CB 3.3Å; T263-A267 PolarHBondContact O-N 2.87Å; T263-L279 HydrophobicContact CG2-CD1 4.09Å; T263-L279 HydrophobicContact CG2-CD2 3.78Å; T263-L279 HydrophobicContact CG2-CG 3.97Å; T263-V283 HydrophobicContact CG2-CG2 3.99Å
264V85.7Confident81.9Confident17 Ų1759.4 Ų59.410%0.10332%0.318CS..Hα-helixtrans-59.2-44.6172.7172.80000111.8V260 R261 R262 R268 K276 L279V260-V264 HydrophobicContact CG1-CG2 4.27Å; V260-V264 WeakPolarHBondContact O-CG2 3.26Å; V260-V264 PolarHBondContact O-N 2.87Å; R261-V264 PolarHBondContact O-N 2.82Å; R262-V264 VanDerWaalsContact C-N 3.32Å; R262-V264 PolarHBondContact O-N 3.35Å; V264-R268 HydrophobicContact CG1-CG 4.29Å; V264-R268 WeakPolarHBondContact O-CB 3.43Å; V264-R268 WeakPolarHBondContact O-CG 2.76Å; V264-R268 PolarHBondContact O-N 2.78Å; V264-K276 HydrophobicContact CG2-CB 4.41Å; V264-K276 HydrophobicContact CG2-CG 4.01Å; V264-L279 HydrophobicContact CB-CD1 4.32Å; V264-L279 HydrophobicContact CB-CD2 4.39Å; V264-L279 HydrophobicContact CG2-CD1 3.94Å; V264-L279 HydrophobicContact CG2-CD2 3.46Å; V264-L279 VanDerWaalsContact CG2-CD2 3.46Å; V264-L279 HydrophobicContact CG2-CG 4.16Å
265Y79.2Confident82.4Confident75 Ų7559 Ų5929%0.29431%0.312SS..Hα-helixtrans-60.3-48.8179.9170.3-97.5000111.9R261 R262 T263 R269R261-Y265 PolarHBondContact O-N 3.12Å; R262-Y265 WeakPolarHBondContact O-CB 3.48Å; R262-Y265 PolarHBondContact O-N 3.16Å; R262-Y265 VanDerWaalsContact O-N 3.16Å; T263-Y265 PolarHBondContact O-N 3.4Å; Y265-R269 VanDerWaalsContact CZ-CZ 3.47Å; Y265-R269 PolarHBondContact O-N 2.88Å; Y265-R269 VanDerWaalsContact OH-CZ 3.26Å; Y265-R269 PolarHBondContact OH-NH2 3.27Å
266F80.3Confident83.1Confident27 Ų2764.2 Ų64.212%0.11833%0.332CS..Hα-helixtrans-68.8-42.2178.2-62.7-56.6000112.7K18 V251 V255 P258 R262 T263 R268 R269K18-F266 HydrophobicContact CB-CE1 4.42Å; K18-F266 HydrophobicContact CD-CD1 4.1Å; K18-F266 HydrophobicContact CD-CE1 3.3Å; K18-F266 HydrophobicContact CD-CZ 3.61Å; K18-F266 HydrophobicContact CG-CE1 4.42Å; V251-F266 HydrophobicContact CG1-CB 4.11Å; V255-F266 HydrophobicContact CB-CD2 3.66Å; V255-F266 HydrophobicContact CB-CE2 3.99Å; V255-F266 HydrophobicContact CB-CG 4.34Å; V255-F266 HydrophobicContact CG1-CB 3.97Å; V255-F266 HydrophobicContact CG1-CD2 3.65Å; V255-F266 HydrophobicContact CG1-CE2 4.28Å; V255-F266 HydrophobicContact CG1-CG 3.8Å; V255-F266 HydrophobicContact CG2-CD2 3.7Å; V255-F266 HydrophobicContact CG2-CE2 4.28Å; P258-F266 HydrophobicContact CG-CE2 4.41Å; R262-F266 HydrophobicContact CB-CD2 4.47Å; R262-F266 HydrophobicContact CB-CE2 4.09Å; R262-F266 WeakPolarHBondContact O-CD2 3.29Å; R262-F266 PolarHBondContact O-N 3.2Å; T263-F266 PolarHBondContact O-N 2.88Å; F266-R268 PolarHBondContact O-N 2.84Å; F266-R269 PolarHBondContact O-N 3.05Å
267A84.1Confident83.6Confident0 Ų071.9 Ų71.90%034%0.344CS..Hα-helixtrans-61.4-43.7178.100000111.7W247 V251 T263 R269 V270 Q271 V274 L279W247-A267 HydrophobicContact CH2-CB 3.72Å; W247-A267 WeakPolarHBondContact CH2-O 3.47Å; W247-A267 HydrophobicContact CZ3-CB 4.08Å; V251-A267 HydrophobicContact CG1-CB 4.27Å; T263-A267 VanDerWaalsContact O-CB 3.25Å; T263-A267 WeakPolarHBondContact O-CB 3.3Å; T263-A267 PolarHBondContact O-N 2.87Å; A267-R269 PolarHBondContact O-N 3.12Å; A267-V270 PolarHBondContact O-N 3.13Å; A267-V270 VanDerWaalsContact O-N 3.08Å; A267-Q271 PolarHBondContact O-N 2.79Å; A267-V274 HydrophobicContact CB-CG1 3.89Å; A267-L279 HydrophobicContact CB-CD1 3.59Å
268R86.2Confident83.9Confident114 Ų11471.7 Ų71.743%0.4335%0.345SS..Hα-helixtrans-69-15.4-179.4-76.6-177.5173.4-162.8-11.3115.2V264 F266 V270 P272 V274V264-R268 HydrophobicContact CG1-CG 4.29Å; V264-R268 WeakPolarHBondContact O-CB 3.43Å; V264-R268 WeakPolarHBondContact O-CG 2.76Å; V264-R268 PolarHBondContact O-N 2.78Å; F266-R268 PolarHBondContact O-N 2.84Å; R268-V270 VanDerWaalsContact C-N 3.33Å; R268-P272 WeakPolarHBondContact O-CA 3.34Å; R268-V274 HydrophobicContact CG-CG1 3.46Å; R268-V274 VanDerWaalsContact CG-CG1 3.46Å; R268-V274 PolarHBondContact NE-O 2.84Å; R268-V274 PolarHBondContact NH2-O 3.3Å
269R77.1Confident84.5Confident105 Ų10570.7 Ų70.740%0.39634%0.338SS..Hα-helixtrans-73.4-25.4170.9-76.8178.8160-177.7-8.9113D19 Y265 F266 A267D19-R269 IonicContact OD2-CZ 3.47Å; D19-R269 IonicContact OD2-NE 2.95Å; D19-R269 PolarHBondContact OD2-NE 2.91Å; D19-R269 IonicContact OD2-NH1 2.78Å; D19-R269 PolarHBondContact OD2-NH1 3.14Å; D19-R269 IonicContact OD2-NH2 3.39Å; D19-R269 PolarHBondContact OD2-NH2 3.42Å; Y265-R269 VanDerWaalsContact CZ-CZ 3.47Å; Y265-R269 PolarHBondContact O-N 2.88Å; Y265-R269 VanDerWaalsContact OH-CZ 3.26Å; Y265-R269 PolarHBondContact OH-NH2 3.27Å; F266-R269 PolarHBondContact O-N 3.05Å; A267-R269 PolarHBondContact O-N 3.12Å
270V73.5Confident84.8Confident72 Ų7270.1 Ų70.144%0.43633%0.332SS..Hα-helixtrans-100.1-46.3178.8177.70000110.7W247 A267 R268W247-V270 HydrophobicContact CZ2-CB 3.92Å; W247-V270 HydrophobicContact CZ2-CG1 3.87Å; A267-V270 PolarHBondContact O-N 3.13Å; A267-V270 VanDerWaalsContact O-N 3.08Å; R268-V270 VanDerWaalsContact C-N 3.33Å
271Q80.5Confident85.1Confident83 Ų8372.4 Ų72.439%0.38834%0.34SS..  trans-128.691.7177.3-166.2178.133.300110.4W247 A267 T273 V274W247-Q271 HydrophobicContact CH2-CB 3.66Å; W247-Q271 HydrophobicContact CZ2-CB 4.12Å; W247-Q271 HydrophobicContact CZ3-CB 4.17Å; A267-Q271 PolarHBondContact O-N 2.79Å; Q271-T273 PolarHBondContact O-N 2.88Å; Q271-V274 WeakPolarHBondContact O-CG1 3.47Å; Q271-V274 PolarHBondContact O-N 2.95Å; Q271-V274 VanDerWaalsContact O-N 3.1Å
272P84.4Confident85.6Confident97 Ų9766.6 Ų66.663%0.6332%0.319SS*.THydrogen-bonded Turntrans-56.4-27.7-176.2-28.435.8000114.8R268 V274R268-P272 WeakPolarHBondContact O-CA 3.34Å; P272-V274 VanDerWaalsContact C-N 3.31Å; P272-V274 PolarHBondContact O-N 2.83Å
273T86.1Confident86.2Confident121 Ų12162.4 Ų62.474%0.74231%0.305SS*.THydrogen-bonded Turntrans-78.1-5-178.752.70000114.6Q271 S275Q271-T273 PolarHBondContact O-N 2.88Å; T273-S275 PolarHBondContact O-N 2.93Å
274V85.3Confident86.4Confident7 Ų766.4 Ų66.44%0.04233%0.329CS..  trans-57.3130.4-176.567.60000112.6W247 I248 A267 R268 Q271 P272 K276 L279W247-V274 HydrophobicContact CZ3-CB 4.14Å; W247-V274 HydrophobicContact CZ3-CG2 3.89Å; I248-V274 HydrophobicContact CD1-CG2 3.75Å; I248-V274 HydrophobicContact CG1-CG2 3.91Å; A267-V274 HydrophobicContact CB-CG1 3.89Å; R268-V274 HydrophobicContact CG-CG1 3.46Å; R268-V274 VanDerWaalsContact CG-CG1 3.46Å; R268-V274 PolarHBondContact NE-O 2.84Å; R268-V274 PolarHBondContact NH2-O 3.3Å; Q271-V274 WeakPolarHBondContact O-CG1 3.47Å; Q271-V274 PolarHBondContact O-N 2.95Å; Q271-V274 VanDerWaalsContact O-N 3.1Å; P272-V274 VanDerWaalsContact C-N 3.31Å; P272-V274 PolarHBondContact O-N 2.83Å; V274-K276 PolarHBondContact O-N 3.45Å; V274-L279 HydrophobicContact CG2-CD1 4.38Å
275S89.1Confident86.6Confident60 Ų6069.8 Ų69.842%0.4235%0.347SS..  trans-68.3119.2178.1176.60000110.9T273 R277 L278 L279T273-S275 PolarHBondContact O-N 2.93Å; S275-R277 PolarHBondContact O-N 2.94Å; S275-R277 PolarHBondContact OG-N 3.3Å; S275-L278 PolarHBondContact O-N 3.46Å; S275-L278 PolarHBondContact OG-N 3.47Å; S275-L279 WeakPolarHBondContact O-CB 3.34Å; S275-L279 PolarHBondContact O-N 3.32Å
276K90.3Very high87.2Confident129 Ų12966.7 Ų66.756%0.56134%0.336SS*.Hα-helixtrans-59.8-28.1172.2176.4172.7178.4-172.50112.2V264 V274 G280V264-K276 HydrophobicContact CG2-CB 4.41Å; V264-K276 HydrophobicContact CG2-CG 4.01Å; V274-K276 PolarHBondContact O-N 3.45Å; K276-G280 PolarHBondContact O-N 3.12Å
277R91.2Very high87.6Confident218 Ų21871.4 Ų71.482%0.82336%0.358SS*.Hα-helixtrans-70.3-50.6176.6-179.1176.9176.5162.3-1110.9S275 L279 G280 Q281S275-R277 PolarHBondContact O-N 2.94Å; S275-R277 PolarHBondContact OG-N 3.3Å; R277-L279 VanDerWaalsContact C-N 3.27Å; R277-L279 PolarHBondContact O-N 3.2Å; R277-G280 PolarHBondContact O-N 3.44Å; R277-Q281 PolarHBondContact O-N 3.49Å
278L91.2Very high87.7Confident49 Ų4975.8 Ų75.826%0.25738%0.381SS..Hα-helixtrans-59.6-42.5177.9-17065.4000111A244 E245 I248 S275 Q281 V282A244-L278 HydrophobicContact CB-CD2 3.78Å; E245-L278 HydrophobicContact CG-CD1 3.62Å; E245-L278 HydrophobicContact CG-CD2 4.16Å; E245-L278 HydrophobicContact CG-CG 4Å; I248-L278 HydrophobicContact CD1-CB 4.25Å; I248-L278 HydrophobicContact CD1-CD2 3.83Å; I248-L278 HydrophobicContact CD1-CG 3.88Å; S275-L278 PolarHBondContact O-N 3.46Å; S275-L278 PolarHBondContact OG-N 3.47Å; L278-Q281 VanDerWaalsContact O-CB 3.3Å; L278-Q281 WeakPolarHBondContact O-CB 3.32Å; L278-Q281 PolarHBondContact O-N 3.3Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 3.42Å
279L92.3Very high87.5Confident0 Ų071.8 Ų71.80%037%0.37CS..Hα-helixtrans-69.7-35.4178.3-173159.5000113.1I248 V260 T263 V264 A267 V274 S275 R277 Q281 V283I248-L279 HydrophobicContact CD1-CB 4.04Å; I248-L279 HydrophobicContact CG1-CB 4.47Å; I248-L279 HydrophobicContact CG2-CB 4.07Å; I248-L279 HydrophobicContact CG2-CD1 4.19Å; I248-L279 HydrophobicContact CG2-CG 3.65Å; V260-L279 HydrophobicContact CG1-CD2 4.09Å; T263-L279 HydrophobicContact CG2-CD1 4.09Å; T263-L279 HydrophobicContact CG2-CD2 3.78Å; T263-L279 HydrophobicContact CG2-CG 3.97Å; V264-L279 HydrophobicContact CB-CD1 4.32Å; V264-L279 HydrophobicContact CB-CD2 4.39Å; V264-L279 HydrophobicContact CG2-CD1 3.94Å; V264-L279 HydrophobicContact CG2-CD2 3.46Å; V264-L279 VanDerWaalsContact CG2-CD2 3.46Å; V264-L279 HydrophobicContact CG2-CG 4.16Å; A267-L279 HydrophobicContact CB-CD1 3.59Å; V274-L279 HydrophobicContact CG2-CD1 4.38Å; S275-L279 WeakPolarHBondContact O-CB 3.34Å; S275-L279 PolarHBondContact O-N 3.32Å; R277-L279 VanDerWaalsContact C-N 3.27Å; R277-L279 PolarHBondContact O-N 3.2Å; L279-Q281 VanDerWaalsContact C-N 3.29Å; L279-Q281 PolarHBondContact O-N 2.81Å; L279-V283 HydrophobicContact CD2-CG2 4.1Å; L279-V283 WeakPolarHBondContact O-CG2 3.49Å; L279-V283 PolarHBondContact O-N 3.29Å; L279-V283 VanDerWaalsContact O-N 3.16Å
280G92.3Very high87.8Confident15 Ų1572.3 Ų72.316%0.15538%0.377CS..Hα-helixtrans-58-42.6168.600000112.3K276 R277 T284K276-G280 PolarHBondContact O-N 3.12Å; R277-G280 PolarHBondContact O-N 3.44Å; G280-T284 WeakPolarHBondContact O-CB 3.21Å; G280-T284 PolarHBondContact O-N 2.93Å; G280-T284 PolarHBondContact O-OG1 3.17Å
281Q92Very high88Confident95 Ų9576.5 Ų76.544%0.44439%0.389SS..Hα-helixtrans-61.4-57.3177-164.661.749.500111.3R277 L278 L279 V283 T284 D285R277-Q281 PolarHBondContact O-N 3.49Å; L278-Q281 VanDerWaalsContact O-CB 3.3Å; L278-Q281 WeakPolarHBondContact O-CB 3.32Å; L278-Q281 PolarHBondContact O-N 3.3Å; L279-Q281 VanDerWaalsContact C-N 3.29Å; L279-Q281 PolarHBondContact O-N 2.81Å; Q281-V283 VanDerWaalsContact C-N 3.25Å; Q281-V283 PolarHBondContact O-N 3.14Å; Q281-V283 VanDerWaalsContact O-N 3.14Å; Q281-T284 CarbonylContact O-C 3.4Å; Q281-T284 WeakPolarHBondContact O-CA 3.38Å; Q281-T284 WeakPolarHBondContact O-CB 3.49Å; Q281-T284 PolarHBondContact O-N 3.37Å; Q281-D285 WeakPolarHBondContact CG-OD2 3.44Å; Q281-D285 VanDerWaalsContact NE2-CG 3.34Å; Q281-D285 PolarHBondContact NE2-OD1 3.25Å; Q281-D285 VanDerWaalsContact NE2-OD1 3.13Å; Q281-D285 PolarHBondContact NE2-OD2 3.47Å; Q281-D285 VanDerWaalsContact O-CG 3.29Å; Q281-D285 PolarHBondContact O-N 3.41Å
282V93.3Very high87.2Confident17 Ų1777.2 Ų77.210%0.10340%0.399CS..Hα-helixtrans-55.6-36.4-179.9176.30000113.4E245 I248 L278 C286E245-V282 HydrophobicContact CB-CG2 3.78Å; E245-V282 HydrophobicContact CG-CG2 4.01Å; I248-V282 HydrophobicContact CB-CB 4.44Å; I248-V282 HydrophobicContact CB-CG1 4.29Å; I248-V282 HydrophobicContact CB-CG2 4.28Å; I248-V282 HydrophobicContact CG2-CB 3.75Å; I248-V282 HydrophobicContact CG2-CG1 3.74Å; I248-V282 HydrophobicContact CG2-CG2 4.08Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 3.42Å; V282-C286 PolarHBondContact O-N 2.99Å
283V90.8Very high85.7Confident10 Ų1079.5 Ų79.56%0.06141%0.406CS..Hα-helixtrans-76.4-29.4176.4174.60000112.5H252 V260 T263 L279 Q281H252-V283 HydrophobicContact CB-CG2 4.47Å; V260-V283 HydrophobicContact CG2-CB 3.96Å; V260-V283 HydrophobicContact CG2-CG1 3.77Å; T263-V283 HydrophobicContact CG2-CG2 3.99Å; L279-V283 HydrophobicContact CD2-CG2 4.1Å; L279-V283 WeakPolarHBondContact O-CG2 3.49Å; L279-V283 PolarHBondContact O-N 3.29Å; L279-V283 VanDerWaalsContact O-N 3.16Å; Q281-V283 VanDerWaalsContact C-N 3.25Å; Q281-V283 PolarHBondContact O-N 3.14Å; Q281-V283 VanDerWaalsContact O-N 3.14Å
284T89Confident84Confident84 Ų8478.3 Ų78.352%0.51540%0.403SS..Hα-helixtrans-74.2-33.3175.9-56.20000110.7G280 Q281 Q290G280-T284 WeakPolarHBondContact O-CB 3.21Å; G280-T284 PolarHBondContact O-N 2.93Å; G280-T284 PolarHBondContact O-OG1 3.17Å; Q281-T284 CarbonylContact O-C 3.4Å; Q281-T284 WeakPolarHBondContact O-CA 3.38Å; Q281-T284 WeakPolarHBondContact O-CB 3.49Å; Q281-T284 PolarHBondContact O-N 3.37Å; T284-Q290 WeakPolarHBondContact O-CG 3.4Å; T284-Q290 PolarHBondContact O-NE2 2.9Å
285D91.1Very high81.8Confident88 Ų8881.3 Ų81.347%0.47143%0.428SS..SBendtrans-89.4-0.6-179.5-56.6-21.3000112.8Q281 E287Q281-D285 WeakPolarHBondContact CG-OD2 3.44Å; Q281-D285 VanDerWaalsContact NE2-CG 3.34Å; Q281-D285 PolarHBondContact NE2-OD1 3.25Å; Q281-D285 VanDerWaalsContact NE2-OD1 3.13Å; Q281-D285 PolarHBondContact NE2-OD2 3.47Å; Q281-D285 VanDerWaalsContact O-CG 3.29Å; Q281-D285 PolarHBondContact O-N 3.41Å; D285-E287 PolarHBondContact O-N 3.45Å
286C90.9Very high79.4Confident10 Ų1083.3 Ų83.37%0.06844%0.44CS..  trans-72.1111.6176.7179.50000110.7H253 H257 V282 I288 C289 Q290H253-C286 PolarHBondContact NE2-SG 3Å; H257-C286 VanDerWaalsContact CE1-SG 3.55Å; H257-C286 PolarHBondContact ND1-SG 3.34Å; V282-C286 PolarHBondContact O-N 2.99Å; C286-I288 PolarHBondContact O-N 3.03Å; C286-I288 VanDerWaalsContact O-N 3.12Å; C286-C289 HydrophobicContact CB-CB 4.12Å; C286-C289 WeakPolarHBondContact O-CA 3.5Å; C286-C289 PolarHBondContact O-N 2.94Å; C286-Q290 PolarHBondContact O-N 2.99Å
287E89.5Confident77.1Confident125 Ų12583.1 Ų83.158%0.58445%0.449SS*.Hα-helixtrans-51-38.8-179.5-68.3-171.5-154.800114.2D285 C289 Q290 K291D285-E287 PolarHBondContact O-N 3.45Å; E287-C289 VanDerWaalsContact C-N 3.35Å; E287-Q290 PolarHBondContact O-N 3.04Å; E287-K291 WeakPolarHBondContact O-CB 3.25Å; E287-K291 WeakPolarHBondContact O-CD 3.3Å; E287-K291 VanDerWaalsContact O-CG 3.3Å; E287-K291 WeakPolarHBondContact O-CG 3.34Å; E287-K291 PolarHBondContact O-N 3.32Å; E287-K291 IonicContact OE2-NZ 3.78Å; E287-K291 PolarHBondContact OE2-NZ 3.07Å
288I85Confident75Confident93 Ų9382.3 Ų82.348%0.47745%0.452SS..Hα-helixtrans-65.9-41179.7-66171.9000109.9C286 V292C286-I288 PolarHBondContact O-N 3.03Å; C286-I288 VanDerWaalsContact O-N 3.12Å; I288-V292 WeakPolarHBondContact O-CG2 3.5Å; I288-V292 PolarHBondContact O-N 2.82Å
289C83.6Confident72.9Confident29 Ų2990.2 Ų90.220%0.19648%0.478CS..Hα-helixtrans-71.7-31.4174.9-70.40000113.1H252 C286 E287 V292H252-C289 PolarHBondContact NE2-SG 3.36Å; C286-C289 HydrophobicContact CB-CB 4.12Å; C286-C289 WeakPolarHBondContact O-CA 3.5Å; C286-C289 PolarHBondContact O-N 2.94Å; E287-C289 VanDerWaalsContact C-N 3.35Å; C289-V292 PolarHBondContact O-N 2.92Å
290Q81.7Confident70.6Confident117 Ų11799.8 Ų99.855%0.54752%0.52SS..Hα-helixtrans-70.7-33.3174.9-68.8-173.4-500112.8T284 C286 E287 V292T284-Q290 WeakPolarHBondContact O-CG 3.4Å; T284-Q290 PolarHBondContact O-NE2 2.9Å; C286-Q290 PolarHBondContact O-N 2.99Å; E287-Q290 PolarHBondContact O-N 3.04Å; Q290-V292 VanDerWaalsContact C-N 3.32Å
291K77.8Confident68.4Low159 Ų159111.5 Ų111.569%0.69156%0.559SS**Hα-helixtrans-75.2-18.4175.4-72.5164.2-176.6159.20113.1E287 D293E287-K291 WeakPolarHBondContact O-CB 3.25Å; E287-K291 WeakPolarHBondContact O-CD 3.3Å; E287-K291 VanDerWaalsContact O-CG 3.3Å; E287-K291 WeakPolarHBondContact O-CG 3.34Å; E287-K291 PolarHBondContact O-N 3.32Å; E287-K291 IonicContact OE2-NZ 3.78Å; E287-K291 PolarHBondContact OE2-NZ 3.07Å; K291-D293 PolarHBondContact O-N 3.27Å
292V64.9Low66.4Low98 Ų98110.1 Ų110.159%0.59457%0.571SS**SBendtrans-79.5113.1168.4175.20000108.3I288 C289 Q290 S294I288-V292 WeakPolarHBondContact O-CG2 3.5Å; I288-V292 PolarHBondContact O-N 2.82Å; C289-V292 PolarHBondContact O-N 2.92Å; Q290-V292 VanDerWaalsContact C-N 3.32Å; V292-S294 PolarHBondContact O-N 3.01Å
293D51.4Low63.9Low145 Ų145116 Ų11678%0.77561%0.607SS**  trans-52.4107.4-173.6-156.1-0.4000111.4K291 A295K291-D293 PolarHBondContact O-N 3.27Å; D293-A295 PolarHBondContact O-N 2.89Å
294S51.6Low61.7Low96 Ų96122.4 Ų122.467%0.67164%0.64SS**  trans-74.592.6-179.3-76.40000108.2V292 P296V292-S294 PolarHBondContact O-N 3.01Å; S294-P296 WeakPolarHBondContact O-CA 3.3Å
295A38.4Very low59.6Low71 Ų71122.6 Ų122.659%0.58765%0.65SS**  trans-24.9106.5-176.900000111.8D293 V297D293-A295 PolarHBondContact O-N 2.89Å; A295-V297 PolarHBondContact O-N 2.89Å
296P38.2Very low57.3Low102 Ų102122.1 Ų122.166%0.66265%0.65SS**SBendtrans-67140.1-157.122.9-33.9000111.1S294S294-P296 WeakPolarHBondContact O-CA 3.3Å
297V42.8Very low55Low124 Ų124131.3 Ų131.375%0.75269%0.692SS**SBendtrans73.2133.2175.5-169.30000114.8A295 W299A295-V297 PolarHBondContact O-N 2.89Å; V297-W299 PolarHBondContact O-N 2.75Å
298K47.6Very low52.9Low201 Ų201133.1 Ų133.187%0.87470%0.701SS**  trans-57.7103.9164.3-66.7169.5-177.61680108.4K300K298-K300 PolarHBondContact O-N 3.25Å
299W47.3Very low50.7Low215 Ų215135.2 Ų135.281%0.81472%0.718SS**  trans-46.5117.6176.2-6665.3000109.4V297 R301V297-W299 PolarHBondContact O-N 2.75Å; W299-R301 PolarHBondContact O-N 3.26Å
300K42.7Very low48.9Very low202 Ų202142.9 Ų142.988%0.87874%0.743SS**  trans-55.9127.6168.6-79-176.4176.4177.60106.5K298 G302K298-K300 PolarHBondContact O-N 3.25Å; K300-G302 PolarHBondContact O-N 3.02Å
301R46.6Very low47Very low260 Ų260146.4 Ų146.498%0.98176%0.759SS**  trans-61.6104.6175.5-69.6-173.7-174.5-177.83.2108.1W299W299-R301 PolarHBondContact O-N 3.26Å
302G50.2Low45.1Very low66 Ų66150.1 Ų150.168%0.6877%0.769SS**  trans-138.7147.4177.500000109.4K300 L304K300-G302 PolarHBondContact O-N 3.02Å; G302-L304 PolarHBondContact O-N 3.28Å; G302-L304 VanDerWaalsContact O-N 3.16Å
303T41.9Very low43.7Very low142 Ų142152 Ų15287%0.87178%0.78SS**  trans-76.3101174.7-550000108.5A305T303-A305 VanDerWaalsContact C-N 3.28Å; T303-A305 HydrophobicContact CG2-CB 4.5Å; T303-A305 PolarHBondContact O-N 2.8Å
304L43.7Very low43Very low144 Ų144147.9 Ų147.975%0.75477%0.772SS**  trans-77.583.6170.3-157.287.8000109G302G302-L304 PolarHBondContact O-N 3.28Å; G302-L304 VanDerWaalsContact O-N 3.16Å
305A45.1Very low42.2Very low88 Ų88149.1 Ų149.173%0.72778%0.776SS**  trans-85.8117.6167.700000108.6T303T303-A305 VanDerWaalsContact C-N 3.28Å; T303-A305 HydrophobicContact CG2-CB 4.5Å; T303-A305 PolarHBondContact O-N 2.8Å
306V42.5Very low42.1Very low77 Ų77153.4 Ų153.447%0.46779%0.789SS.*  trans-95.6123.5169.2-1430000106.8E308 W310V306-E308 WeakPolarHBondContact CG1-O 3.44Å; V306-E308 PolarHBondContact O-N 2.79Å; V306-W310 HydrophobicContact CG1-CZ2 4.49Å
307Q42.3Very low41.9Very low204 Ų204153.9 Ų153.995%0.95379%0.794SS**SBendtrans-68.1-26.6176.8-96.8-178.6-61.100112.3
308E45Very low41.6Very low163 Ų163156.5 Ų156.576%0.76280%0.798SS**SBendtrans-135153.5-176.2-61.5-176.1169.800110.6V306 W310V306-E308 WeakPolarHBondContact CG1-O 3.44Å; V306-E308 PolarHBondContact O-N 2.79Å; E308-W310 PolarHBondContact O-N 2.74Å
309T38.9Very low41.2Very low137 Ų137152 Ų15284%0.8480%0.798SS**  trans-70.8122.9-178.9-550000110.4Q311T309-Q311 PolarHBondContact O-N 2.86Å
310W46.3Very low40.8Very low190 Ų190146.1 Ų146.172%0.7280%0.796SS**  trans-52110.4173.3-67.485.5000111.6V306 E308 R312V306-W310 HydrophobicContact CG1-CZ2 4.49Å; E308-W310 PolarHBondContact O-N 2.74Å; W310-R312 PolarHBondContact O-N 3.25Å
311Q40.9Very low40.4Very low190 Ų190142.6 Ų142.689%0.88879%0.794SS**  trans-66.3102.9158.2-76.5-174.7-16.800107.7T309 V313T309-Q311 PolarHBondContact O-N 2.86Å; Q311-V313 PolarHBondContact O-N 2.96Å
312R38.5Very low40.1Very low238 Ų238135.5 Ų135.590%0.89878%0.784SS**  trans-70.5115.9173-90.3-170.4166.1-139.1-3.9109.2W310 G314W310-R312 PolarHBondContact O-N 3.25Å; R312-G314 VanDerWaalsContact C-N 3.34Å; R312-G314 PolarHBondContact O-N 2.66Å
313V35.5Very low39.7Very low137 Ų137137.3 Ų137.383%0.8379%0.786SS**  trans-6096.9163.3179.40000108.3Q311Q311-V313 PolarHBondContact O-N 2.96Å
314G37.3Very low39.6Very low58 Ų58140 Ų14060%0.59879%0.791SS**  trans-82.2110.3162.500000108R312 N316R312-G314 VanDerWaalsContact C-N 3.34Å; R312-G314 PolarHBondContact O-N 2.66Å; G314-N316 PolarHBondContact O-N 3.04Å
315T34.1Very low39.5Very low122 Ų122144.3 Ų144.375%0.74881%0.814SS**  trans-67.4103.3172.945.80000109.5S317T315-S317 VanDerWaalsContact C-N 3.29Å; T315-S317 PolarHBondContact O-N 2.79Å
316N36.3Very low39.2Very low162 Ų162147.2 Ų147.287%0.86682%0.818SS**  trans-69.386.5170-74.8-10.5000109.6G314 Q318G314-N316 PolarHBondContact O-N 3.04Å; N316-Q318 VanDerWaalsContact C-N 3.33Å; N316-Q318 PolarHBondContact O-N 2.95Å; N316-Q318 VanDerWaalsContact O-N 3.14Å
317S33.4Very low39.1Very low111 Ų111150.8 Ų150.878%0.77684%0.837SS**  trans-81.478.4168.256.60000109.9T315T315-S317 VanDerWaalsContact C-N 3.29Å; T315-S317 PolarHBondContact O-N 2.79Å
318Q37.5Very low38.9Very low179 Ų179147.9 Ų147.984%0.83683%0.831SS**  trans-142.7136.3166.6-75.7-161.9-5.100112.5N316N316-Q318 VanDerWaalsContact C-N 3.33Å; N316-Q318 PolarHBondContact O-N 2.95Å; N316-Q318 VanDerWaalsContact O-N 3.14Å
319A38.5Very low38.5Very low106 Ų106147 Ų14788%0.87684%0.835SS**  trans67.5125.615800000120.2
320A39Very low38.5Very low93 Ų93147.6 Ų147.677%0.76983%0.834SS**  trans-57.8165.6178.400000116.2
321P34.2Very low38Very low127 Ų127144.8 Ų144.883%0.82584%0.842SS**  trans-79.7147.8179.133.5-35.7000112.8
322S40.3Very low37.8Very low112 Ų112141.6 Ų141.678%0.78384%0.839SS**  trans-137.6128.8163.1-75.40000111.2
323S42Very low37.7Very low104 Ų104134.2 Ų134.273%0.72783%0.834SS**  trans49.3105157.859.40000119.7
324M39.9Very low37.9Very low198 Ų198133.9 Ų133.998%0.97583%0.834SS**  -114.984128.9-89.9-167172.700108.7
325L42.2Very low37.9Very low235 Ų235140.8 Ų140.8100%1.2386%0.856SS**  trans-174.20151.8-101.5171.8000107.3

Retrieved 325 of 325 residues in 372.3 ms (Link to these results)