A0A077Z699_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z699, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 307 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
1M22Very low26.1Very low233 Ų233105.6 Ų105.6100%1.14869%0.686SS**  0113.60-69.2-180-90.500104.7D3M1-D3 PolarHBondContact O-N 2.94Å
2T28.3Very low26.9Very low146 Ų146106.4 Ų106.490%0.89669%0.691SS**  trans-72.396.3-162.948.90000111.1
3D25.3Very low27.3Very low108 Ų108109.8 Ų109.858%0.57870%0.7SS**  trans-46.9141162.744.9-47.5000110.8M1 T5M1-D3 PolarHBondContact O-N 2.94Å; D3-T5 HydrophobicContact CB-CG2 4.46Å; D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 PolarHBondContact O-N 2.68Å; D3-T5 PolarHBondContact O-OG1 2.76Å; D3-T5 WeakPolarHBondContact OD2-CG2 3.48Å; D3-T5 PolarHBondContact OD2-OG1 3.26Å
4G24.2Very low27.8Very low69 Ų69113.2 Ų113.271%0.71170%0.699SS**G310 helixtrans-62.711.4-177.200000115.7G6G4-G6 PolarHBondContact O-N 2.75Å
5T25Very low28.3Very low90 Ų90110.5 Ų110.555%0.55268%0.675SS**G310 helixtrans-60.6-27.6172.347.50000112.1D3 A7 L8D3-T5 HydrophobicContact CB-CG2 4.46Å; D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 PolarHBondContact O-N 2.68Å; D3-T5 PolarHBondContact O-OG1 2.76Å; D3-T5 WeakPolarHBondContact OD2-CG2 3.48Å; D3-T5 PolarHBondContact OD2-OG1 3.26Å; T5-A7 VanDerWaalsContact C-N 3.33Å; T5-A7 PolarHBondContact O-N 3.24Å; T5-L8 PolarHBondContact O-N 3.37Å
6G22.6Very low28.5Very low69 Ų69106.1 Ų106.171%0.71165%0.651SS**G310 helixtrans-65-25.2-178.900000115.8G4 L8G4-G6 PolarHBondContact O-N 2.75Å; G6-L8 VanDerWaalsContact C-N 3.26Å; G6-L8 PolarHBondContact O-N 2.91Å
7A26.4Very low28.9Very low89 Ų89102.2 Ų102.274%0.73662%0.623SS**G310 helixtrans-77.8-12.7177.800000113.2T5T5-A7 VanDerWaalsContact C-N 3.33Å; T5-A7 PolarHBondContact O-N 3.24Å
8L27.5Very low29.2Very low115 Ų11597.9 Ų97.960%0.60260%0.595SS**G310 helixtrans-109.28.3-178.3-68.8171000113.2T5 G6 R10T5-L8 PolarHBondContact O-N 3.37Å; G6-L8 VanDerWaalsContact C-N 3.26Å; G6-L8 PolarHBondContact O-N 2.91Å; L8-R10 PolarHBondContact O-N 2.92Å
9G22.5Very low29.4Very low71 Ų7194.4 Ų94.473%0.73257%0.573SS**  trans-66.158.5161.600000110.9A11G9-A11 PolarHBondContact O-N 3.24Å
10R32.8Very low29.7Very low120 Ų12091.2 Ų91.245%0.45355%0.554SS.*  trans-72.9115.7174.4-69.6-169.7-173.2-147.9-0.8106.4L8 S16 E136L8-R10 PolarHBondContact O-N 2.92Å; R10-S16 PolarHBondContact NH1-OG 2.91Å; R10-E136 IonicContact CZ-OE1 3.35Å; R10-E136 IonicContact NH1-OE1 3.05Å; R10-E136 PolarHBondContact NH1-OE1 3.28Å; R10-E136 IonicContact NH2-OE1 2.7Å; R10-E136 PolarHBondContact NH2-OE1 3.08Å
11A30.7Very low29.9Very low52 Ų5290 Ų9043%0.4355%0.547SS..  trans-53.4135.517000000108.6G9 D13 K14G9-A11 PolarHBondContact O-N 3.24Å; A11-D13 PolarHBondContact O-N 2.79Å; A11-K14 PolarHBondContact O-N 3.32Å; A11-K14 VanDerWaalsContact O-N 3.1Å
12P35.9Very low30.4Very low115 Ų11585.9 Ų85.975%0.74752%0.518SS*.THydrogen-bonded Turntrans-56.7-12.1-176.720.8-32.5000114.2
13D31.9Very low30.5Very low151 Ų15181 Ų8181%0.80749%0.488SS*.THydrogen-bonded Turntrans-98.81.3-176.6-56.6-38.1000114.5A11 E15A11-D13 PolarHBondContact O-N 2.79Å; D13-E15 PolarHBondContact O-N 2.93Å
14K33.9Very low30.7Very low157 Ų15781.4 Ų81.468%0.68349%0.487SS*.  trans-96.492.3176.4-66.5-153.3178.2-163.50111A11 S16A11-K14 PolarHBondContact O-N 3.32Å; A11-K14 VanDerWaalsContact O-N 3.1Å; K14-S16 PolarHBondContact O-N 3.21Å
15E36.2Very low30.9Very low72 Ų7282.5 Ų82.534%0.33647%0.473SS..  trans-53.9131.2168.4-156.6-168.814000110.6D13 H17 S46 S47D13-E15 PolarHBondContact O-N 2.93Å; E15-H17 IonicContact OE1-CE1 3.2Å; E15-H17 PolarHBondContact OE1-CE1 2.98Å; E15-H17 IonicContact OE1-ND1 2.84Å; E15-H17 PolarHBondContact OE1-ND1 3.34Å; E15-H17 IonicContact OE1-NE2 3.57Å; E15-H17 IonicContact OE2-CE1 3.89Å; E15-S46 VanDerWaalsContact OE1-CA 3.24Å; E15-S46 WeakPolarHBondContact OE1-CA 3.45Å; E15-S47 WeakPolarHBondContact CG-OG 3.46Å; E15-S47 VanDerWaalsContact OE1-CB 3.32Å; E15-S47 WeakPolarHBondContact OE1-CB 3.08Å; E15-S47 PolarHBondContact OE1-N 2.84Å; E15-S47 PolarHBondContact OE1-OG 3.45Å; E15-S47 WeakPolarHBondContact OE2-CB 3.08Å; E15-S47 PolarHBondContact OE2-N 3.16Å; E15-S47 PolarHBondContact OE2-OG 2.93Å
16S30.5Very low31Very low41 Ų4183.7 Ų83.729%0.28749%0.485SS..  trans-109.5125.7179-62.40000109.2R10 K14R10-S16 PolarHBondContact NH1-OG 2.91Å; K14-S16 PolarHBondContact O-N 3.21Å
17H35.6Very low31.3Very low40 Ų4085 Ų8519%0.18548%0.483CS..EExtended strand (participates in β ladder)trans-106.9137.1-177.3-53.1-91.1000110.4E15 F45 K137 V139E15-H17 IonicContact OE1-CE1 3.2Å; E15-H17 PolarHBondContact OE1-CE1 2.98Å; E15-H17 IonicContact OE1-ND1 2.84Å; E15-H17 PolarHBondContact OE1-ND1 3.34Å; E15-H17 IonicContact OE1-NE2 3.57Å; E15-H17 IonicContact OE2-CE1 3.89Å; H17-F45 PolarHBondContact CE1-O 2.92Å; H17-F45 PolarHBondContact ND1-O 3.48Å; H17-K137 PolarHBondContact O-N 3.37Å; H17-V139 VanDerWaalsContact CD2-CG2 3.4Å; H17-V139 WeakPolarHBondContact CD2-CG2 3.3Å
18F33.7Very low31.3Very low25 Ų2589.7 Ų89.711%0.1149%0.49CS..EExtended strand (participates in β ladder)trans-120133.8179.9-63.8-82.5000110.1L98 E136F18-L98 HydrophobicContact CE2-CD1 4.31Å; F18-L98 HydrophobicContact CZ-CD1 4.23Å; F18-E136 HydrophobicContact CD1-CB 4.28Å; F18-E136 HydrophobicContact CE1-CB 4.04Å; F18-E136 HydrophobicContact CE1-CG 4.01Å
19V33.7Very low31.3Very low30 Ų3090.4 Ų90.418%0.18249%0.494CS..EExtended strand (participates in β ladder)trans-101.5116.5169.9-179.80000107.6V44 C134 K135V19-V44 HydrophobicContact CG2-CG2 4.46Å; V19-C134 WeakPolarHBondContact O-CA 3.24Å; V19-K135 PolarHBondContact N-O 2.97Å; V19-K135 VanDerWaalsContact N-O 3.15Å; V19-K135 PolarHBondContact O-N 3.32Å
20V35.7Very low32Very low31 Ų3195.2 Ų95.219%0.18850%0.503CS..EExtended strand (participates in β ladder)trans-100.9122.2177.6-175.30000108.4W132 C134V20-W132 HydrophobicContact CG1-CB 4.05Å; V20-W132 HydrophobicContact CG1-CD2 4.34Å; V20-W132 HydrophobicContact CG1-CE3 3.72Å; V20-W132 HydrophobicContact CG1-CZ3 4.5Å; V20-C134 HydrophobicContact CG2-CB 4.37Å
21T34Very low31.5Very low67 Ų6793.4 Ų93.441%0.41151%0.509SS..EExtended strand (participates in β ladder)trans-114.7129.9179.4-48.90000109.3W132 L133T21-W132 CarbonylContact O-C 3.55Å; T21-W132 WeakPolarHBondContact O-CA 3.36Å; T21-L133 PolarHBondContact N-O 3.29Å; T21-L133 PolarHBondContact O-N 2.64Å
22R32.1Very low31.3Very low146 Ų14697 Ų9755%0.55153%0.526SS*.EExtended strand (participates in β ladder)trans-70.3128.9172.9-165.8177.3176.2-157.4-4.9109.2E24 W132R22-E24 IonicContact CZ-OE1 3.56Å; R22-E24 IonicContact NH1-OE1 3.91Å; R22-E24 PolarHBondContact NH1-OE1 3.17Å; R22-E24 IonicContact NH2-OE1 3.72Å; R22-W132 HydrophobicContact CB-CD2 4.33Å; R22-W132 HydrophobicContact CB-CE3 3.7Å; R22-W132 HydrophobicContact CB-CH2 3.77Å; R22-W132 HydrophobicContact CB-CZ2 4.33Å; R22-W132 HydrophobicContact CB-CZ3 3.42Å; R22-W132 VanDerWaalsContact CB-CZ3 3.42Å; R22-W132 HydrophobicContact CG-CD2 4.34Å; R22-W132 HydrophobicContact CG-CE3 4.17Å; R22-W132 HydrophobicContact CG-CH2 3.81Å; R22-W132 HydrophobicContact CG-CZ2 3.92Å; R22-W132 HydrophobicContact CG-CZ3 3.95Å
23V29.7Very low30.7Very low43 Ų4399 Ų9926%0.26153%0.529SS..EExtended strand (participates in β ladder)trans-99.8106.1161.5-171.70000106.5Q25 R131 L133V23-Q25 PolarHBondContact O-N 3.12Å; V23-R131 WeakPolarHBondContact CA-O 3.37Å; V23-R131 HydrophobicContact CB-CB 4.29Å; V23-R131 WeakPolarHBondContact CB-O 3.31Å; V23-R131 WeakPolarHBondContact CG2-O 3.28Å; V23-R131 PolarHBondContact N-O 3.18Å; V23-L133 HydrophobicContact CG2-CB 4.24Å; V23-L133 HydrophobicContact CG2-CD1 3.28Å; V23-L133 HydrophobicContact CG2-CG 3.49Å; V23-L133 VanDerWaalsContact CG2-CG 3.49Å
24E30.2Very low30.5Very low117 Ų11799 Ų9955%0.54753%0.529SS..  trans-63.5118.9163.2-66.4-168.8154.700107.3R22 S26R22-E24 IonicContact CZ-OE1 3.56Å; R22-E24 IonicContact NH1-OE1 3.91Å; R22-E24 PolarHBondContact NH1-OE1 3.17Å; R22-E24 IonicContact NH2-OE1 3.72Å; E24-S26 PolarHBondContact O-N 3.17Å
25Q28.5Very low30Very low91 Ų9199.5 Ų99.543%0.42554%0.539SS..  trans-71108.2158-74.8-168.9-82.900104.9V23 S27V23-Q25 PolarHBondContact O-N 3.12Å; Q25-S27 PolarHBondContact O-N 3.38Å
26S26.1Very low29.4Very low115 Ų11599.4 Ų99.480%0.80456%0.558SS**  trans-53.3110.2160.443.20000106.5E24 Q28E24-S26 PolarHBondContact O-N 3.17Å; S26-Q28 PolarHBondContact O-N 3.42Å
27S29Very low29Very low96 Ų96106.1 Ų106.167%0.67159%0.585SS**  trans-57.4132.4167.145.60000106.7Q25 D29Q25-S27 PolarHBondContact O-N 3.38Å; S27-D29 PolarHBondContact O-N 2.93Å
28Q27.4Very low28.3Very low189 Ų189109 Ų10988%0.88361%0.609SS**SBendtrans-6775.8174.2-171.8178.2-1.900108.8S26S26-Q28 PolarHBondContact O-N 3.42Å
29D28.2Very low27.8Very low129 Ų129112.4 Ų112.469%0.6964%0.642SS**  trans-124.398.1166.7-113.7-27.5000106.6S27 S31S27-D29 PolarHBondContact O-N 2.93Å; D29-S31 PolarHBondContact O-N 3.2Å
30D35.4Very low27.2Very low172 Ų172116.3 Ų116.392%0.9267%0.666SS**  trans-75.732.6-174.5-110.8-20000112.6
31S24.2Very low26.7Very low83 Ų83119 Ų11958%0.5868%0.684SS**  trans-142.5114.6-175.656.90000112.9D29D29-S31 PolarHBondContact O-N 3.2Å
32V26Very low26.1Very low127 Ų127119.8 Ų119.877%0.7769%0.692SS**SBendtrans99.592.5153.7-165.10000116.7
33L23.4Very low25.8Very low156 Ų156113.2 Ų113.282%0.81767%0.668SS**  trans70.1101.2132.9-59.2169.1000119.3D35L33-D35 PolarHBondContact O-N 3.22Å
34D27.6Very low25.5Very low152 Ų152116 Ų11681%0.81369%0.686SS**  -096.8126-160.629.2000116
35D22.2Very low25.6Very low167 Ų167112 Ų11289%0.89367%0.666SS**  trans-142.594.4137.3-89.7-37.6000106.5L33 E37L33-D35 PolarHBondContact O-N 3.22Å; D35-E37 PolarHBondContact O-N 2.85Å
36G24.7Very low25.3Very low70 Ų70112 Ų11272%0.72268%0.677SS**  trans-68.2123.6174.900000112.2
37E20.9Very low25.4Very low183 Ų183109.2 Ų109.286%0.85566%0.657SS**  trans-144.999.1151.5-103.1-171.7165.600110.3D35D35-E37 PolarHBondContact O-N 2.85Å
38S21.8Very low25.2Very low100 Ų100107.8 Ų107.870%0.69966%0.657SS**  trans36.899.2143.560.80000119.7
39A22.7Very low25.1Very low96 Ų96110 Ų11079%0.79366%0.658SS**  trans-99.369.6151.500000110.8
40T21.2Very low25.2Very low113 Ų113108.3 Ų108.369%0.69366%0.662SS**  trans-99.6128.1144.233.60000105.2
41P24.6Very low24.8Very low87 Ų87107 Ų10757%0.56566%0.655SS**  -138.3136.4771016.2000114.9S92P41-S92 VanDerWaalsContact CB-OG 3.24Å; P41-S92 WeakPolarHBondContact CB-OG 3.24Å; P41-S92 VanDerWaalsContact CG-OG 3.28Å; P41-S92 WeakPolarHBondContact CG-OG 3.02Å
42S22.7Very low25.1Very low83 Ų83113.5 Ų113.558%0.5867%0.673SS**  trans-76.2134.5166.358.50000110.2
43S25.4Very low25.1Very low8 Ų8111.4 Ų111.46%0.05668%0.677CS.*  trans-106134.3-170.8-59.60000112.3F45 S92 A93S43-F45 VanDerWaalsContact CB-CZ 3.42Å; S43-S92 PolarHBondContact OG-O 2.81Å; S43-S92 PolarHBondContact OG-OG 3.27Å; S43-A93 VanDerWaalsContact CB-CA 3.49Å; S43-A93 VanDerWaalsContact CB-CB 3.49Å; S43-A93 VanDerWaalsContact OG-CA 3.29Å; S43-A93 WeakPolarHBondContact OG-CA 3.19Å; S43-A93 WeakPolarHBondContact OG-CB 3.26Å
44V24.2Very low25.1Very low103 Ų103108.2 Ų108.262%0.62467%0.673SS**  trans-122.3131.5178.1-179.10000108V19V19-V44 HydrophobicContact CG2-CG2 4.46Å
45F31Very low25Very low31 Ų31105.7 Ų105.714%0.13667%0.673CS.*  trans-125158.7-176.1-52.7-79.2000111.3H17 S43 A93 V94 T95H17-F45 PolarHBondContact CE1-O 2.92Å; H17-F45 PolarHBondContact ND1-O 3.48Å; S43-F45 VanDerWaalsContact CB-CZ 3.42Å; F45-A93 HydrophobicContact CD1-CB 4.29Å; F45-A93 VanDerWaalsContact CE1-CA 3.48Å; F45-A93 HydrophobicContact CE1-CB 3.18Å; F45-A93 WeakPolarHBondContact CE1-O 3.24Å; F45-A93 HydrophobicContact CZ-CB 3.35Å; F45-V94 VanDerWaalsContact CE1-C 3.43Å; F45-V94 WeakPolarHBondContact CE2-O 3.15Å; F45-V94 WeakPolarHBondContact CZ-O 3.36Å; F45-T95 HydrophobicContact CB-CG2 3.58Å; F45-T95 WeakPolarHBondContact CB-OG1 3.14Å; F45-T95 HydrophobicContact CD1-CG2 4.35Å; F45-T95 WeakPolarHBondContact CD1-OG1 3.46Å; F45-T95 HydrophobicContact CD2-CG2 4.45Å; F45-T95 WeakPolarHBondContact CE1-OG1 3.5Å; F45-T95 HydrophobicContact CG-CG2 3.87Å; F45-T95 WeakPolarHBondContact CG-OG1 3.47Å
46S23Very low25.1Very low93 Ų93100.2 Ų100.265%0.6565%0.647SS**  trans-136.8144.3166.152.40000110.4E15 G48E15-S46 VanDerWaalsContact OE1-CA 3.24Å; E15-S46 WeakPolarHBondContact OE1-CA 3.45Å; S46-G48 PolarHBondContact O-N 2.82Å
47S27.3Very low25.1Very low55 Ų55101.3 Ų101.339%0.38564%0.643SS.*PPolyproline II helixtrans-72.6119.3179.8790000108.1E15E15-S47 WeakPolarHBondContact CG-OG 3.46Å; E15-S47 VanDerWaalsContact OE1-CB 3.32Å; E15-S47 WeakPolarHBondContact OE1-CB 3.08Å; E15-S47 PolarHBondContact OE1-N 2.84Å; E15-S47 PolarHBondContact OE1-OG 3.45Å; E15-S47 WeakPolarHBondContact OE2-CB 3.08Å; E15-S47 PolarHBondContact OE2-N 3.16Å; E15-S47 PolarHBondContact OE2-OG 2.93Å
48G24.3Very low25.3Very low66 Ų6697 Ų9768%0.6863%0.633SS**PPolyproline II helixtrans-66.4133.116900000108.8S46 A50S46-G48 PolarHBondContact O-N 2.82Å; G48-A50 PolarHBondContact O-N 3.17Å
49R25.5Very low25.5Very low235 Ų23596.3 Ų96.389%0.88763%0.625SS**PPolyproline II helixtrans-53.2129.5173.3-157.3-178.2-170.9-1603.7108.5D51R49-D51 PolarHBondContact O-N 2.84Å
50A30.6Very low25.6Very low94 Ų9496.9 Ų96.978%0.77762%0.618SS**  trans-5997.817900000110.4G48 K52G48-A50 PolarHBondContact O-N 3.17Å; A50-K52 PolarHBondContact O-N 3.16Å
51D27.7Very low25.9Very low145 Ų14593.8 Ų93.878%0.77560%0.595SS**  trans-66.9116.7163.4-78.1-25000106.7R49 G53R49-D51 PolarHBondContact O-N 2.84Å; D51-G53 PolarHBondContact O-N 2.82Å
52K30.9Very low25.9Very low219 Ų21993.1 Ų93.195%0.95258%0.583SS**THydrogen-bonded Turntrans-51.4100-175.8-73.1-174.6174.4-175.60110.4A50A50-K52 PolarHBondContact O-N 3.16Å
53G25.9Very low26.1Very low83 Ų8394.3 Ų94.386%0.85658%0.582SS**THydrogen-bonded Turntrans136.2-6.1156.800000118.6D51D51-G53 PolarHBondContact O-N 2.82Å
54A23.5Very low26.1Very low89 Ų8996 Ų9674%0.73660%0.601SS**  trans-116.8108.6178.400000111.4P56A54-P56 WeakPolarHBondContact O-CD 3.41Å
55A24.9Very low26.1Very low99 Ų9999 Ų9982%0.81861%0.613SS**PPolyproline II helixtrans-79123.3174.400000110
56P25.1Very low25.7Very low53 Ų53101.6 Ų101.634%0.34464%0.635SS.*PPolyproline II helixtrans-68.8142.4178.7-19.232.6000112.6A54 P82A54-P56 WeakPolarHBondContact O-CD 3.41Å; P56-P82 HydrophobicContact CB-CB 3.67Å; P56-P82 HydrophobicContact CG-CB 3.61Å
57S24.3Very low25.7Very low92 Ų92102.2 Ų102.264%0.64364%0.637SS**PPolyproline II helixtrans-73.9141177.2440000112.2
58S24.5Very low25.5Very low92 Ų92104.5 Ų104.564%0.64365%0.649SS**BIsolated β-bridgetrans-96.7146.6-152.653.90000116.3
59V26Very low25.4Very low86 Ų86108.7 Ų108.752%0.52165%0.649SS.*  trans-131.5141.7156-179.40000108.2L83V59-L83 HydrophobicContact CB-CD1 3.72Å; V59-L83 HydrophobicContact CB-CD2 4.19Å; V59-L83 HydrophobicContact CB-CG 4.47Å; V59-L83 WeakPolarHBondContact O-CD1 3.33Å
60V25.2Very low25.1Very low109 Ų109108.7 Ų108.766%0.66165%0.648SS**  trans-106.3136.4-168.8179.10000110.7
61F28.1Very low24.9Very low48 Ų48109.1 Ų109.121%0.21165%0.646CS.*  trans-104.7132.3170.7-64.5-85.9000110.5L81 L83 V94 I96 V120 L122F61-L81 HydrophobicContact CD2-CD1 4.35Å; F61-L83 HydrophobicContact CE2-CD1 4.29Å; F61-V94 HydrophobicContact CE2-CG1 4.47Å; F61-V94 HydrophobicContact CZ-CG1 3.74Å; F61-I96 HydrophobicContact CE2-CG1 4.26Å; F61-V120 HydrophobicContact CD1-CG1 4.16Å; F61-L122 HydrophobicContact CD1-CD2 3.33Å; F61-L122 HydrophobicContact CE1-CD2 3.4Å; F61-L122 VanDerWaalsContact CE1-CD2 3.4Å
62K24.9Very low24.6Very low73 Ų73106.5 Ų106.532%0.31764%0.639SS.*BIsolated β-bridgetrans-92128.5177.4-172.9-180-175.3176.70109.8D124K62-D124 IonicContact NZ-OD1 2.9Å; K62-D124 PolarHBondContact NZ-OD1 3.32Å
63I26.6Very low24.4Very low108 Ų108100.9 Ų100.955%0.55463%0.633SS**  trans-117.9108.4173.3-58.5174.5000107.3
64G24.5Very low24.4Very low44 Ų44102.6 Ų102.645%0.45463%0.627SS.*THydrogen-bonded Turntrans70.2-177.3178.600000114.6S66G64-S66 PolarHBondContact O-N 2.89Å; G64-S66 VanDerWaalsContact O-N 3.13Å
65D24.7Very low24.3Very low164 Ų164102.1 Ų102.188%0.87761%0.612SS**THydrogen-bonded Turntrans-80.317.1-171.5-61.9-33000114.1
66S22.3Very low24.2Very low86 Ų86103.3 Ų103.360%0.60162%0.615SS**PPolyproline II helixtrans-78.7125.2-178.4-157.10000111.1G64 V68G64-S66 PolarHBondContact O-N 2.89Å; G64-S66 VanDerWaalsContact O-N 3.13Å; S66-V68 PolarHBondContact O-N 2.84Å
67P22.3Very low24.2Very low107 Ų107105.3 Ų105.370%0.69563%0.626SS**PPolyproline II helixtrans-67128.7-176.124.4-31.4000111.9F69P67-F69 PolarHBondContact O-N 2.6Å
68V24.5Very low24.1Very low103 Ų103103 Ų10362%0.62462%0.617SS**PPolyproline II helixtrans-65.1119.3177.9176.40000109.9S66 R70S66-V68 PolarHBondContact O-N 2.84Å; V68-R70 PolarHBondContact O-N 3.01Å
69F21.3Very low24.2Very low154 Ų154103 Ų10368%0.67561%0.609SS**PPolyproline II helixtrans-63.3121166.4-71.2-84.5000108.9P67 S71P67-F69 PolarHBondContact O-N 2.6Å; F69-S71 PolarHBondContact O-N 2.96Å
70R20.7Very low24Very low234 Ų234103.1 Ų103.188%0.88361%0.614SS**  trans-61.2100.6169.2-76.8-177172170.9-1.7107.5V68 S72V68-R70 PolarHBondContact O-N 3.01Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.32Å
71S24.5Very low24.2Very low103 Ų10399.8 Ų99.872%0.7259%0.592SS**  trans-69.291177.271.20000110.3F69 A73F69-S71 PolarHBondContact O-N 2.96Å; S71-A73 PolarHBondContact O-N 3.38Å
72S22.1Very low24.1Very low91 Ų9199.4 Ų99.464%0.63660%0.595SS**SBendtrans-79.692.6148.452.50000107.2R70 T74R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.32Å; S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.11Å; S72-T74 PolarHBondContact O-OG1 3.35Å
73A26.4Very low24.1Very low100 Ų10097.4 Ų97.483%0.82659%0.587SS**SBendtrans51.2-8.7162.600000122.1S71S71-A73 PolarHBondContact O-N 3.38Å
74T25.6Very low24.1Very low119 Ų11999 Ų9973%0.7359%0.592SS**  trans-151.217.1-169.327.90000118.2S72 S76S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.11Å; S72-T74 PolarHBondContact O-OG1 3.35Å; T74-S76 PolarHBondContact O-N 3.4Å
75D22.3Very low24.2Very low79 Ų79103 Ų10342%0.42261%0.608SS.*  trans-86.4119.1-176.9-64.5-9.1000112.2T77D75-T77 PolarHBondContact O-N 2.71Å
76S22.9Very low24.3Very low124 Ų12499.4 Ų99.487%0.86760%0.596SS**THydrogen-bonded Turntrans-74.627.6-160.950.40000116.6T74T74-S76 PolarHBondContact O-N 3.4Å
77T24.6Very low24.4Very low95 Ų95104.2 Ų104.258%0.58360%0.602SS**THydrogen-bonded Turntrans-102.90178.855.60000114.4D75 L79D75-T77 PolarHBondContact O-N 2.71Å; T77-L79 PolarHBondContact O-N 3.37Å
78G23.2Very low24.6Very low44 Ų44103 Ų10345%0.45459%0.594SS.*  trans65.11.5148.800000119.4S80G78-S80 PolarHBondContact O-N 3.13Å
79L25.1Very low24.6Very low91 Ų91108 Ų10848%0.47661%0.611SS.*  trans-96.576.9176.3-64.6177000110.7T77 S102T77-L79 PolarHBondContact O-N 3.37Å; L79-S102 WeakPolarHBondContact CD2-OG 3.21Å
80S23.4Very low24.8Very low89 Ų89107.1 Ų107.162%0.62262%0.618SS**  trans-92.2118.3163.853.70000109.1G78 P82 I99G78-S80 PolarHBondContact O-N 3.13Å; S80-P82 WeakPolarHBondContact O-CD 3.33Å; S80-I99 WeakPolarHBondContact O-CD1 3.44Å
81L29.4Very low24.9Very low40 Ų4098.5 Ų98.521%0.20959%0.594CS.*  trans-97.5114.3179.5-61.6172000109.2F61 I96 S97F61-L81 HydrophobicContact CD2-CD1 4.35Å; L81-I96 HydrophobicContact CD1-CG2 4.18Å; L81-I96 HydrophobicContact CD2-CG2 4.38Å; L81-S97 WeakPolarHBondContact CD2-O 3.29Å
82P25.4Very low25Very low40 Ų4096.4 Ų96.426%0.2658%0.579SS.*BIsolated β-bridgetrans-78.7133179.525.6-28.9000112.4P56 S80 I99P56-P82 HydrophobicContact CB-CB 3.67Å; P56-P82 HydrophobicContact CG-CB 3.61Å; S80-P82 WeakPolarHBondContact O-CD 3.33Å; P82-I99 HydrophobicContact CG-CD1 4.38Å
83L25.8Very low25.1Very low30 Ų3093.6 Ų93.616%0.15756%0.561CS.*  trans-112145.4172.4-8498.1000112.2V59 F61 V94V59-L83 HydrophobicContact CB-CD1 3.72Å; V59-L83 HydrophobicContact CB-CD2 4.19Å; V59-L83 HydrophobicContact CB-CG 4.47Å; V59-L83 WeakPolarHBondContact O-CD1 3.33Å; F61-L83 HydrophobicContact CE2-CD1 4.29Å; L83-V94 HydrophobicContact CD2-CG1 3.79Å
84H26Very low25.1Very low143 Ų14392.4 Ų92.466%0.66254%0.543SS*.  trans-103126.6172.5-87.7-90.8000110.3
85T26.1Very low25.2Very low128 Ų12889.2 Ų89.279%0.78552%0.524SS*.  trans-98.23.9177.550.70000114.1Y87T85-Y87 PolarHBondContact O-N 3.41Å
86S26Very low25.5Very low88 Ų8887.2 Ų87.262%0.61551%0.513SS*.  trans-96.763.4-178.266.90000112.5
87Y25.7Very low25.7Very low186 Ų18683.2 Ų83.273%0.72949%0.485SS*.SBendtrans-139.5149.6165-93-84.6000111.1T85T85-Y87 PolarHBondContact O-N 3.41Å
88P25Very low26Very low83 Ų8383.9 Ų83.954%0.53948%0.484SS..  trans-59.9145.8-176.2-16.929.4000110.9T90 S91P88-T90 PolarHBondContact O-N 3.39Å; P88-S91 WeakPolarHBondContact O-CB 3.18Å; P88-S91 PolarHBondContact O-N 2.95Å
89E25.4Very low26.1Very low208 Ų20884.7 Ų84.797%0.97248%0.477SS*.THydrogen-bonded Turntrans-54.5-11.8178.5-66.2-179.7161.700114.2S91E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.37Å
90T26.4Very low26.1Very low134 Ų13484.8 Ų84.882%0.82249%0.486SS*.THydrogen-bonded Turntrans-82.42.9171.762.60000113.9P88P88-T90 PolarHBondContact O-N 3.39Å
91S23Very low26.3Very low54 Ų5487.3 Ų87.338%0.37849%0.492SS..  trans-92.1107.3179-172.80000110.3P88 E89 A93P88-S91 WeakPolarHBondContact O-CB 3.18Å; P88-S91 PolarHBondContact O-N 2.95Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.37Å; S91-A93 PolarHBondContact O-N 3.41Å; S91-A93 WeakPolarHBondContact OG-CB 3.39Å
92S24.9Very low26.2Very low59 Ų5986.9 Ų86.941%0.41349%0.492SS..  trans-71.321.2-178.652.70000115.2P41 S43P41-S92 VanDerWaalsContact CB-OG 3.24Å; P41-S92 WeakPolarHBondContact CB-OG 3.24Å; P41-S92 VanDerWaalsContact CG-OG 3.28Å; P41-S92 WeakPolarHBondContact CG-OG 3.02Å; S43-S92 PolarHBondContact OG-O 2.81Å; S43-S92 PolarHBondContact OG-OG 3.27Å
93A24.3Very low26.1Very low31 Ų3193.7 Ų93.726%0.25652%0.521SS..  trans-128.3109.9-14600000111.3S43 F45 S91S43-A93 VanDerWaalsContact CB-CA 3.49Å; S43-A93 VanDerWaalsContact CB-CB 3.49Å; S43-A93 VanDerWaalsContact OG-CA 3.29Å; S43-A93 WeakPolarHBondContact OG-CA 3.19Å; S43-A93 WeakPolarHBondContact OG-CB 3.26Å; F45-A93 HydrophobicContact CD1-CB 4.29Å; F45-A93 VanDerWaalsContact CE1-CA 3.48Å; F45-A93 HydrophobicContact CE1-CB 3.18Å; F45-A93 WeakPolarHBondContact CE1-O 3.24Å; F45-A93 HydrophobicContact CZ-CB 3.35Å; S91-A93 PolarHBondContact O-N 3.41Å; S91-A93 WeakPolarHBondContact OG-CB 3.39Å
94V27.3Very low26.2Very low76 Ų7697.2 Ų97.246%0.46155%0.546SS..  trans-109.4123165.7-170.30000113.3F45 F61 L83F45-V94 VanDerWaalsContact CE1-C 3.43Å; F45-V94 WeakPolarHBondContact CE2-O 3.15Å; F45-V94 WeakPolarHBondContact CZ-O 3.36Å; F61-V94 HydrophobicContact CE2-CG1 4.47Å; F61-V94 HydrophobicContact CZ-CG1 3.74Å; L83-V94 HydrophobicContact CD2-CG1 3.79Å
95T27.3Very low26.2Very low51 Ų5194.7 Ų94.731%0.31354%0.544SS..  trans-82.7142177.4-42.70000112.4F45F45-T95 HydrophobicContact CB-CG2 3.58Å; F45-T95 WeakPolarHBondContact CB-OG1 3.14Å; F45-T95 HydrophobicContact CD1-CG2 4.35Å; F45-T95 WeakPolarHBondContact CD1-OG1 3.46Å; F45-T95 HydrophobicContact CD2-CG2 4.45Å; F45-T95 WeakPolarHBondContact CE1-OG1 3.5Å; F45-T95 HydrophobicContact CG-CG2 3.87Å; F45-T95 WeakPolarHBondContact CG-OG1 3.47Å
96I29.7Very low26.1Very low37 Ų3794.1 Ų94.119%0.1955%0.545CS..  trans-120.2117.8166.1-58.2172.3000108.2F61 L81F61-I96 HydrophobicContact CE2-CG1 4.26Å; L81-I96 HydrophobicContact CD1-CG2 4.18Å; L81-I96 HydrophobicContact CD2-CG2 4.38Å
97S26.5Very low25.9Very low40 Ų4093.8 Ų93.828%0.2855%0.548SS..  trans-109.9104.4176.3-65.20000110.6L81 I99L81-S97 WeakPolarHBondContact CD2-O 3.29Å; S97-I99 PolarHBondContact O-N 2.87Å
98L29.5Very low26Very low109 Ų10990.2 Ų90.257%0.57154%0.538SS*.  trans-72.4106.3172.6-67.1166.3000109.2F18 S100F18-L98 HydrophobicContact CE2-CD1 4.31Å; F18-L98 HydrophobicContact CZ-CD1 4.23Å; L98-S100 PolarHBondContact O-N 2.94Å
99I27Very low26Very low61 Ų6192.2 Ų92.231%0.31354%0.541SS..  trans-79.1116.8174.8-51.9179.6000107.7S80 P82 S97 N101S80-I99 WeakPolarHBondContact O-CD1 3.44Å; P82-I99 HydrophobicContact CG-CD1 4.38Å; S97-I99 PolarHBondContact O-N 2.87Å; I99-N101 HydrophobicContact CG2-CB 4.08Å; I99-N101 PolarHBondContact O-N 3.36Å
100S25.1Very low26.1Very low94 Ų9487.2 Ų87.266%0.65752%0.52SS*.THydrogen-bonded Turntrans-70.514.4-176.259.10000115L98 S102L98-S100 PolarHBondContact O-N 2.94Å; S100-S102 VanDerWaalsContact C-N 3.26Å; S100-S102 PolarHBondContact O-N 2.94Å
101N26.4Very low26Very low142 Ų14286.6 Ų86.676%0.75951%0.508SS*.THydrogen-bonded Turntrans-84.84-172.8-68.1-6.6000113.7I99I99-N101 HydrophobicContact CG2-CB 4.08Å; I99-N101 PolarHBondContact O-N 3.36Å
102S27.8Very low26.1Very low30 Ų3088 Ų8821%0.2152%0.518CS..SBendtrans-122.8121.1171.360.10000109.9L79 S100L79-S102 WeakPolarHBondContact CD2-OG 3.21Å; S100-S102 VanDerWaalsContact C-N 3.26Å; S100-S102 PolarHBondContact O-N 2.94Å
103E23.6Very low26.2Very low183 Ų18393.1 Ų93.186%0.85554%0.535SS*.  trans-44.7128.8168.2-160.7176.5-161.900109.1S105E103-S105 PolarHBondContact O-N 3.27Å
104P27.8Very low26.1Very low105 Ų10595.1 Ų95.168%0.68255%0.547SS*.  trans-64.9101.8-172.225.1-32.7000109.1S106P104-S106 PolarHBondContact O-N 3.26Å
105S25.5Very low26.1Very low89 Ų8995.6 Ų95.662%0.62255%0.553SS**  trans-53.9128.9166.6177.40000107.6E103 A107 H108E103-S105 PolarHBondContact O-N 3.27Å; S105-A107 PolarHBondContact O-N 3.49Å; S105-H108 PolarHBondContact O-N 3.05Å; S105-H108 VanDerWaalsContact O-N 3.13Å
106S23.5Very low26.2Very low117 Ų11799.9 Ų99.982%0.81856%0.564SS**THydrogen-bonded Turntrans-54.9-1.1-171.4-44.30000115.4P104P104-S106 PolarHBondContact O-N 3.26Å
107A23.4Very low26.1Very low81 Ų81102.8 Ų102.867%0.66958%0.575SS**THydrogen-bonded Turntrans-90.5-8.4177.300000115.2S105S105-A107 PolarHBondContact O-N 3.49Å
108H27.4Very low26.6Very low111 Ų111102.9 Ų102.951%0.51457%0.571SS.*  trans-119.840.5178.6-81.2-52.9000113.5S105 I110S105-H108 PolarHBondContact O-N 3.05Å; S105-H108 VanDerWaalsContact O-N 3.13Å; H108-I110 PolarHBondContact O-N 3.46Å
109M23.5Very low26.6Very low124 Ų124103.1 Ų103.161%0.61157%0.572SS**  trans-70.3110.1156.9-78.9-178.857.600108.1H111M109-H111 PolarHBondContact O-N 3.37Å; M109-H111 PolarHBondContact O-ND1 3.17Å
110I29.1Very low27.2Very low103 Ų103101.1 Ų101.153%0.52856%0.563SS.*  trans-56.9103.2154.3-64144000105.2H108 S112 H118H108-I110 PolarHBondContact O-N 3.46Å; I110-S112 PolarHBondContact O-N 3.5Å; I110-H118 WeakPolarHBondContact CD1-CE1 3.21Å; I110-H118 VanDerWaalsContact CG1-CE1 3.42Å; I110-H118 WeakPolarHBondContact CG1-CE1 3.36Å; I110-H118 WeakPolarHBondContact CG1-ND1 3.08Å; I110-H118 WeakPolarHBondContact CG2-CE1 3.43Å; I110-H118 WeakPolarHBondContact CG2-ND1 3.5Å
111H23.6Very low27.4Very low121 Ų12199.4 Ų99.456%0.5655%0.548SS*.  trans-73.686.3169.7-72.187.4000107.3M109 H113M109-H111 PolarHBondContact O-N 3.37Å; M109-H111 PolarHBondContact O-ND1 3.17Å; H111-H113 AromaticContact CD2-NE2 3.66Å; H111-H113 PolarHBondContact O-N 2.79Å
112S25.5Very low27.9Very low84 Ų8497 Ų9759%0.58754%0.535SS*.  trans-64.875.3170164.40000109I110I110-S112 PolarHBondContact O-N 3.5Å
113H26.3Very low27.9Very low166 Ų166100 Ų10077%0.76955%0.548SS*.  trans-98.7-10.7169.8-63.1-50.5000112.6H111H111-H113 AromaticContact CD2-NE2 3.66Å; H111-H113 PolarHBondContact O-N 2.79Å
114S22.5Very low28.2Very low74 Ų7497.6 Ų97.652%0.51754%0.542SS..SBendtrans-119.9121.6160.7101.90000108.7R116S114-R116 PolarHBondContact O-N 3.25Å
115S26.8Very low28.1Very low85 Ų8596.2 Ų96.259%0.59453%0.529SS*.THydrogen-bonded Turntrans-51.1109.2179.6-175.50000109.9
116R29.6Very low28.5Very low141 Ų14194.9 Ų94.953%0.53252%0.518SS..THydrogen-bonded Turntrans88.324.6159.4-56.6179-68.6-163-6.5119.3S114 K135S114-R116 PolarHBondContact O-N 3.25Å; R116-K135 HydrophobicContact CB-CD 4.5Å; R116-K135 HydrophobicContact CB-CG 4.11Å; R116-K135 VanDerWaalsContact O-CA 3.24Å; R116-K135 WeakPolarHBondContact O-CA 3.1Å; R116-K135 WeakPolarHBondContact O-CB 2.81Å
117F28.8Very low28.7Very low99 Ų9997.8 Ų97.843%0.43452%0.516SS..  trans-139.6123.6173.7-60.5-68.5000114.5L133 C134 K135F117-L133 HydrophobicContact CB-CD2 3.49Å; F117-L133 VanDerWaalsContact CB-CD2 3.49Å; F117-L133 HydrophobicContact CD1-CB 3.73Å; F117-L133 HydrophobicContact CD1-CD1 4.36Å; F117-L133 HydrophobicContact CD1-CD2 3.63Å; F117-L133 HydrophobicContact CD1-CG 4.09Å; F117-L133 HydrophobicContact CD2-CD2 4.39Å; F117-L133 HydrophobicContact CE1-CB 4.28Å; F117-L133 HydrophobicContact CE1-CD1 4.45Å; F117-L133 HydrophobicContact CE1-CD2 4.44Å; F117-L133 HydrophobicContact CG-CD2 3.57Å; F117-C134 CarbonylContact C-O 3.5Å; F117-C134 WeakPolarHBondContact CA-O 3.17Å; F117-K135 HydrophobicContact CD1-CB 4.48Å; F117-K135 HydrophobicContact CE1-CB 4.32Å
118H35.1Very low29Very low41 Ų41103.4 Ų103.419%0.1952%0.52CS..EExtended strand (participates in β ladder)trans-103138.2165.5-42-107.3000109.9I110 C134I110-H118 WeakPolarHBondContact CD1-CE1 3.21Å; I110-H118 VanDerWaalsContact CG1-CE1 3.42Å; I110-H118 WeakPolarHBondContact CG1-CE1 3.36Å; I110-H118 WeakPolarHBondContact CG1-ND1 3.08Å; I110-H118 WeakPolarHBondContact CG2-CE1 3.43Å; I110-H118 WeakPolarHBondContact CG2-ND1 3.5Å; H118-C134 HydrophobicContact CB-CB 3.87Å; H118-C134 PolarHBondContact CD2-O 2.86Å; H118-C134 VanDerWaalsContact CD2-O 3.26Å; H118-C134 PolarHBondContact N-O 2.92Å; H118-C134 PolarHBondContact O-N 3.27Å
119I31.2Very low29.1Very low115 Ų115105.3 Ų105.359%0.5952%0.523SS*.EExtended strand (participates in β ladder)trans-90118.3170.9-58.7175.8000108.6W132I119-W132 WeakPolarHBondContact CA-O 3.48Å
120V38.5Very low29.4Very low19 Ų19100.3 Ų100.312%0.11550%0.503CS..EExtended strand (participates in β ladder)trans-105.6138.9172.7-173.50000109.2F61 L122 W132F61-V120 HydrophobicContact CD1-CG1 4.16Å; V120-L122 HydrophobicContact CG1-CD2 4Å; V120-W132 HydrophobicContact CB-CB 4.16Å; V120-W132 PolarHBondContact N-O 3.4Å; V120-W132 VanDerWaalsContact O-CD1 3.26Å
121T30Very low29.7Very low58 Ų58101.2 Ų101.236%0.35650%0.499SS..BIsolated β-bridgetrans-116.3126.5176.6-20.50000108.9
122L36.8Very low30.3Very low90 Ų9098.5 Ų98.547%0.47148%0.484SS..  trans-101-11.3-170.8-62.7-177.3000115.6F61 V120 W132F61-L122 HydrophobicContact CD1-CD2 3.33Å; F61-L122 HydrophobicContact CE1-CD2 3.4Å; F61-L122 VanDerWaalsContact CE1-CD2 3.4Å; V120-L122 HydrophobicContact CG1-CD2 4Å; L122-W132 HydrophobicContact CD1-CZ2 3.87Å
123D26.9Very low30.8Very low93 Ų9397.2 Ų97.250%0.49747%0.471SS..  trans-125.3142.8-176.8-94.7-28.1000111.7N125D123-N125 HydrophobicContact CB-CB 4.44Å; D123-N125 PolarHBondContact O-N 3.31Å
124D30.1Very low31.3Very low134 Ų13489.7 Ų89.772%0.71744%0.436SS*.SBendtrans-64.2-11.4167.2-79.7-35.4000112.4K62 P126K62-D124 IonicContact NZ-OD1 2.9Å; K62-D124 PolarHBondContact NZ-OD1 3.32Å; D124-P126 VanDerWaalsContact O-CD 3.3Å; D124-P126 WeakPolarHBondContact O-CD 3.29Å
125N27.1Very low31.9Very low76 Ų7690.3 Ų90.341%0.40643%0.43SS..  trans-89.5107.9173.4-168.8-26.3000110.7D123 F127 R128D123-N125 HydrophobicContact CB-CB 4.44Å; D123-N125 PolarHBondContact O-N 3.31Å; N125-F127 PolarHBondContact O-N 2.83Å; N125-F127 WeakPolarHBondContact OD1-CB 3.39Å; N125-F127 WeakPolarHBondContact OD1-CD2 3.33Å; N125-F127 PolarHBondContact OD1-N 2.86Å; N125-R128 PolarHBondContact O-N 3.26Å
126P32.1Very low32.2Very low61 Ų6189.3 Ų89.340%0.39642%0.416SS..THydrogen-bonded Turntrans-69.32.7-179.531.5-37000113.3D124 R129D124-P126 VanDerWaalsContact O-CD 3.3Å; D124-P126 WeakPolarHBondContact O-CD 3.29Å; P126-R129 WeakPolarHBondContact O-CD 3.24Å; P126-R129 WeakPolarHBondContact O-CG 3.12Å; P126-R129 PolarHBondContact O-NE 3.24Å
127F28.5Very low32.3Very low178 Ų17888.3 Ų88.378%0.78142%0.415SS*.THydrogen-bonded Turntrans-104.8-13.4178.7-60.1-76.7000113.9N125 R129N125-F127 PolarHBondContact O-N 2.83Å; N125-F127 WeakPolarHBondContact OD1-CB 3.39Å; N125-F127 WeakPolarHBondContact OD1-CD2 3.33Å; N125-F127 PolarHBondContact OD1-N 2.86Å; F127-R129 PolarHBondContact O-N 3.06Å
128R29.4Very low32.2Very low199 Ų19990.9 Ų90.975%0.75143%0.429SS*.SBendtrans-93.835.4170.9-68.5-170.2175.8-123.5-0.2111.8N125 G130N125-R128 PolarHBondContact O-N 3.26Å; R128-G130 PolarHBondContact O-N 2.75Å
129R31Very low31.9Very low151 Ų15192.1 Ų92.157%0.5744%0.439SS*.  trans-56.694.8-175.9-77.6167.9-176.6179.37.5112P126 F127P126-R129 WeakPolarHBondContact O-CD 3.24Å; P126-R129 WeakPolarHBondContact O-CG 3.12Å; P126-R129 PolarHBondContact O-NE 3.24Å; F127-R129 PolarHBondContact O-N 3.06Å
130G29.6Very low31.8Very low19 Ų1991.5 Ų91.520%0.19644%0.441CS..PPolyproline II helixtrans-80.9119.3151.500000108.4R128 W132R128-G130 PolarHBondContact O-N 2.75Å; G130-W132 VanDerWaalsContact O-CD1 3.28Å
131R34.8Very low31.1Very low121 Ų12197.3 Ų97.346%0.45747%0.471SS..EExtended strand (participates in β ladder)trans-81.9116.8165.4-69.4-172.5-72.6-169.6-0.6106.5V23V23-R131 WeakPolarHBondContact CA-O 3.37Å; V23-R131 HydrophobicContact CB-CB 4.29Å; V23-R131 WeakPolarHBondContact CB-O 3.31Å; V23-R131 WeakPolarHBondContact CG2-O 3.28Å; V23-R131 PolarHBondContact N-O 3.18Å
132W35.7Very low31Very low64 Ų64101.7 Ų101.724%0.24249%0.492CS..EExtended strand (participates in β ladder)trans-102.4125.4177.6-65.684.8000109.3V20 T21 R22 I119 V120 L122 G130V20-W132 HydrophobicContact CG1-CB 4.05Å; V20-W132 HydrophobicContact CG1-CD2 4.34Å; V20-W132 HydrophobicContact CG1-CE3 3.72Å; V20-W132 HydrophobicContact CG1-CZ3 4.5Å; T21-W132 CarbonylContact O-C 3.55Å; T21-W132 WeakPolarHBondContact O-CA 3.36Å; R22-W132 HydrophobicContact CB-CD2 4.33Å; R22-W132 HydrophobicContact CB-CE3 3.7Å; R22-W132 HydrophobicContact CB-CH2 3.77Å; R22-W132 HydrophobicContact CB-CZ2 4.33Å; R22-W132 HydrophobicContact CB-CZ3 3.42Å; R22-W132 VanDerWaalsContact CB-CZ3 3.42Å; R22-W132 HydrophobicContact CG-CD2 4.34Å; R22-W132 HydrophobicContact CG-CE3 4.17Å; R22-W132 HydrophobicContact CG-CH2 3.81Å; R22-W132 HydrophobicContact CG-CZ2 3.92Å; R22-W132 HydrophobicContact CG-CZ3 3.95Å; I119-W132 WeakPolarHBondContact CA-O 3.48Å; V120-W132 HydrophobicContact CB-CB 4.16Å; V120-W132 PolarHBondContact N-O 3.4Å; V120-W132 VanDerWaalsContact O-CD1 3.26Å; L122-W132 HydrophobicContact CD1-CZ2 3.87Å; G130-W132 VanDerWaalsContact O-CD1 3.28Å
133L36.3Very low30.7Very low58 Ų58103 Ų10330%0.30451%0.506SS..EExtended strand (participates in β ladder)trans-90.5115.2174.5-76167.5000108.9T21 V23 F117T21-L133 PolarHBondContact N-O 3.29Å; T21-L133 PolarHBondContact O-N 2.64Å; V23-L133 HydrophobicContact CG2-CB 4.24Å; V23-L133 HydrophobicContact CG2-CD1 3.28Å; V23-L133 HydrophobicContact CG2-CG 3.49Å; V23-L133 VanDerWaalsContact CG2-CG 3.49Å; F117-L133 HydrophobicContact CB-CD2 3.49Å; F117-L133 VanDerWaalsContact CB-CD2 3.49Å; F117-L133 HydrophobicContact CD1-CB 3.73Å; F117-L133 HydrophobicContact CD1-CD1 4.36Å; F117-L133 HydrophobicContact CD1-CD2 3.63Å; F117-L133 HydrophobicContact CD1-CG 4.09Å; F117-L133 HydrophobicContact CD2-CD2 4.39Å; F117-L133 HydrophobicContact CE1-CB 4.28Å; F117-L133 HydrophobicContact CE1-CD1 4.45Å; F117-L133 HydrophobicContact CE1-CD2 4.44Å; F117-L133 HydrophobicContact CG-CD2 3.57Å
134C36.1Very low30.5Very low7 Ų7107.5 Ų107.55%0.04752%0.521CS..EExtended strand (participates in β ladder)trans-99.6118.9173.4179.60000110.4V19 V20 F117 H118V19-C134 WeakPolarHBondContact O-CA 3.24Å; V20-C134 HydrophobicContact CG2-CB 4.37Å; F117-C134 CarbonylContact C-O 3.5Å; F117-C134 WeakPolarHBondContact CA-O 3.17Å; H118-C134 HydrophobicContact CB-CB 3.87Å; H118-C134 PolarHBondContact CD2-O 2.86Å; H118-C134 VanDerWaalsContact CD2-O 3.26Å; H118-C134 PolarHBondContact N-O 2.92Å; H118-C134 PolarHBondContact O-N 3.27Å
135K35.4Very low30.5Very low88 Ų88106.7 Ų106.738%0.38352%0.524SS..EExtended strand (participates in β ladder)trans-102.3117.8173.6174.8166.6-176.8-168.30110V19 R116 F117 K137V19-K135 PolarHBondContact N-O 2.97Å; V19-K135 VanDerWaalsContact N-O 3.15Å; V19-K135 PolarHBondContact O-N 3.32Å; R116-K135 HydrophobicContact CB-CD 4.5Å; R116-K135 HydrophobicContact CB-CG 4.11Å; R116-K135 VanDerWaalsContact O-CA 3.24Å; R116-K135 WeakPolarHBondContact O-CA 3.1Å; R116-K135 WeakPolarHBondContact O-CB 2.81Å; F117-K135 HydrophobicContact CD1-CB 4.48Å; F117-K135 HydrophobicContact CE1-CB 4.32Å; K135-K137 PolarHBondContact O-N 3.22Å
136E32.5Very low30.5Very low64 Ų64106.4 Ų106.430%0.29953%0.527SS..EExtended strand (participates in β ladder)trans-63.4121.3167.8-174.4175.2-156.400108.9R10 F18R10-E136 IonicContact CZ-OE1 3.35Å; R10-E136 IonicContact NH1-OE1 3.05Å; R10-E136 PolarHBondContact NH1-OE1 3.28Å; R10-E136 IonicContact NH2-OE1 2.7Å; R10-E136 PolarHBondContact NH2-OE1 3.08Å; F18-E136 HydrophobicContact CD1-CB 4.28Å; F18-E136 HydrophobicContact CE1-CB 4.04Å; F18-E136 HydrophobicContact CE1-CG 4.01Å
137K32.4Very low30.4Very low120 Ų120110.1 Ų110.152%0.52255%0.549SS..EExtended strand (participates in β ladder)trans-93.6108168.9-169.1-177.4177.6-173.90107.1H17 K135 V139H17-K137 PolarHBondContact O-N 3.37Å; K135-K137 PolarHBondContact O-N 3.22Å; K137-V139 PolarHBondContact O-N 3.49Å
138Q27.1Very low30.3Very low152 Ų152108.3 Ų108.371%0.7155%0.548SS*.  trans-60.5112.6161.9-83.6-177.3-10.700107.6T140Q138-T140 VanDerWaalsContact C-N 3.28Å; Q138-T140 PolarHBondContact O-N 2.98Å; Q138-T140 VanDerWaalsContact O-N 3.14Å
139V29.2Very low30.3Very low67 Ų67105.1 Ų105.141%0.40655%0.545SS..  trans-79.187.6164.2179.10000105.9H17 K137H17-V139 VanDerWaalsContact CD2-CG2 3.4Å; H17-V139 WeakPolarHBondContact CD2-CG2 3.3Å; K137-V139 PolarHBondContact O-N 3.49Å
140T28.9Very low29.8Very low102 Ų102102.9 Ų102.963%0.62655%0.552SS**  trans-84.9-16.3-178.3-24.20000113Q138Q138-T140 VanDerWaalsContact C-N 3.28Å; Q138-T140 PolarHBondContact O-N 2.98Å; Q138-T140 VanDerWaalsContact O-N 3.14Å
141D23.7Very low29.5Very low142 Ų142106.7 Ų106.776%0.75957%0.572SS**SBendtrans-145.3138.2173.8-74-57.5000110.3
142D27.9Very low28.9Very low149 Ų149108.2 Ų108.280%0.79758%0.584SS**  trans-45.4134.5166-70.1-52.6000108.8K144D142-K144 PolarHBondContact O-N 3.37Å
143P29.3Very low28.4Very low117 Ų117108.7 Ų108.776%0.7659%0.594SS**  trans-61.4101.1-179.525-32.2000108.4P145P143-P145 VanDerWaalsContact O-CD 3.3Å; P143-P145 WeakPolarHBondContact O-CD 3.15Å; P143-P145 VanDerWaalsContact O-N 3.11Å
144K24.3Very low27.9Very low188 Ų188111.1 Ų111.182%0.81762%0.622SS**  trans-58118.9168.6-166.9170.4-171.9169.80105.5D142 S146D142-K144 PolarHBondContact O-N 3.37Å; K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 2.88Å
145P28.4Very low27.5Very low118 Ų118121.5 Ų121.577%0.76666%0.661SS**  trans-65.195.4178.925.3-31.4000107.1P143 T147P143-P145 VanDerWaalsContact O-CD 3.3Å; P143-P145 WeakPolarHBondContact O-CD 3.15Å; P143-P145 VanDerWaalsContact O-N 3.11Å; P145-T147 PolarHBondContact O-N 3.37Å
146S29Very low27Very low69 Ų69128.2 Ų128.248%0.48368%0.684SS.*  trans-75.3112.6174.258.50000107K144 D148K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 2.88Å; S146-D148 PolarHBondContact O-N 3.5Å
147T28.9Very low26.4Very low139 Ų139132.4 Ų132.485%0.85370%0.701SS**THydrogen-bonded Turntrans-61.4-10.5177.9-22.60000113.3P145P145-T147 PolarHBondContact O-N 3.37Å
148D25.7Very low25.9Very low141 Ų141135.1 Ų135.175%0.75471%0.713SS**THydrogen-bonded Turntrans-117.640.9-172.7-65.3-34.5000114.1S146 S150S146-D148 PolarHBondContact O-N 3.5Å; D148-S150 PolarHBondContact O-N 3.33Å
149L30.2Very low25.6Very low132 Ų132133.4 Ų133.469%0.69171%0.713SS**  trans-89.957.8160.4-73.3170.4000110.6V151L149-V151 HydrophobicContact CD2-CG2 4.09Å; L149-V151 PolarHBondContact O-N 2.92Å; L149-V151 VanDerWaalsContact O-N 3.11Å
150S20.7Very low25.2Very low104 Ų104135.8 Ų135.873%0.72773%0.727SS**  trans-75.181.4146.468.50000107D148 E152D148-S150 PolarHBondContact O-N 3.33Å; S150-E152 PolarHBondContact O-N 3.44Å
151V24Very low24.8Very low99 Ų99138.1 Ų138.160%0.673%0.731SS**  trans-67.193.7159.7-179.70000105.3L149 T153L149-V151 HydrophobicContact CD2-CG2 4.09Å; L149-V151 PolarHBondContact O-N 2.92Å; L149-V151 VanDerWaalsContact O-N 3.11Å; V151-T153 HydrophobicContact CG1-CG2 4.42Å; V151-T153 PolarHBondContact O-N 2.99Å
152E21Very low24.7Very low153 Ų153137 Ų13772%0.71573%0.732SS**  trans-73.673171.5-169.3173.8-15600108.1S150 A154S150-E152 PolarHBondContact O-N 3.44Å; E152-A154 PolarHBondContact O-N 2.91Å
153T25.6Very low24.5Very low73 Ų73135.9 Ų135.945%0.44873%0.729SS.*  trans-72.4119.8153.232.90000106.7V151 R155V151-T153 HydrophobicContact CG1-CG2 4.42Å; V151-T153 PolarHBondContact O-N 2.99Å; T153-R155 WeakPolarHBondContact CB-O 3.46Å; T153-R155 CarbonylContact O-C 3.51Å; T153-R155 PolarHBondContact O-N 2.91Å; T153-R155 PolarHBondContact OG1-O 3.13Å
154A25Very low24.1Very low110 Ų110134.4 Ų134.491%0.90973%0.727SS**SBendtrans-56.6-1.6163.200000112.9E152E152-A154 PolarHBondContact O-N 2.91Å
155R28.2Very low24.3Very low225 Ų225131.8 Ų131.885%0.84973%0.727SS**SBendtrans-113.5110.7165.7-82.1177.3158-172.4-7.3110.4T153T153-R155 WeakPolarHBondContact CB-O 3.46Å; T153-R155 CarbonylContact O-C 3.51Å; T153-R155 PolarHBondContact O-N 2.91Å; T153-R155 PolarHBondContact OG1-O 3.13Å
156R24.5Very low24Very low229 Ų229132 Ų13286%0.86473%0.726SS**  trans41.588.7167-66.5-174-175.1-175.12.6116.6F158R156-F158 PolarHBondContact O-N 3.15Å
157K21.1Very low23.8Very low152 Ų152132.9 Ų132.966%0.66174%0.738SS**  trans-56.6118.2159.9-65.4174.7177.11790109.7
158F21.9Very low23.7Very low177 Ų177134.2 Ų134.278%0.77674%0.739SS**  trans-111.4116.5158.847.5-89.9000107.8R156 V160R156-F158 PolarHBondContact O-N 3.15Å; F158-V160 HydrophobicContact CD2-CG2 4.11Å
159T19.9Very low23.6Very low115 Ų115133.7 Ų133.771%0.70674%0.741SS**  trans-85.1113.8177.3-35.30000107.5
160V21.4Very low23.4Very low118 Ų118131.9 Ų131.972%0.71575%0.745SS**  trans-96.7109.8172.5-176.20000107.4F158F158-V160 HydrophobicContact CD2-CG2 4.11Å
161H20.4Very low23.6Very low151 Ų151132.6 Ų132.670%0.69975%0.747SS**  trans-80127.8170.2-77.2-71.2000109.2V163H161-V163 PolarHBondContact O-N 2.89Å; H161-V163 VanDerWaalsContact O-N 3.15Å
162P22.4Very low24Very low119 Ų119132 Ų13277%0.77375%0.753SS**  trans-63.9116.9167.325.6-30.4000108.1A164P162-A164 PolarHBondContact O-N 3.31Å; P162-A164 VanDerWaalsContact O-N 3.07Å
163V22.3Very low24.4Very low124 Ų124132.2 Ų132.275%0.75276%0.759SS**  trans-67.6107.8168.9173.60000106.5H161 T165H161-V163 PolarHBondContact O-N 2.89Å; H161-V163 VanDerWaalsContact O-N 3.15Å; V163-T165 PolarHBondContact O-N 2.99Å
164A22.1Very low24.6Very low87 Ų87132.3 Ų132.372%0.71977%0.774SS**  trans-64.2101.7167.100000107.6P162 V166P162-A164 PolarHBondContact O-N 3.31Å; P162-A164 VanDerWaalsContact O-N 3.07Å; A164-V166 VanDerWaalsContact C-N 3.35Å; A164-V166 PolarHBondContact O-N 3.26Å
165T27.4Very low24.8Very low133 Ų133133 Ų13382%0.81677%0.772SS**  trans-66.996.3173.1-2.40000107.7V163 A167V163-T165 PolarHBondContact O-N 2.99Å; T165-A167 PolarHBondContact O-N 2.87Å; T165-A167 VanDerWaalsContact O-N 3.13Å
166V23.1Very low24.7Very low122 Ų122129.1 Ų129.174%0.73977%0.773SS**  trans-58.4117.9164.7178.50000106.2A164 L168A164-V166 VanDerWaalsContact C-N 3.35Å; A164-V166 PolarHBondContact O-N 3.26Å; V166-L168 PolarHBondContact O-N 3.22Å
167A24.9Very low24.8Very low88 Ų88123.3 Ų123.373%0.72777%0.768SS**  trans-57.4104.1174.300000108.2T165 T169T165-A167 PolarHBondContact O-N 2.87Å; T165-A167 VanDerWaalsContact O-N 3.13Å; A167-T169 PolarHBondContact O-N 3.18Å
168L25.1Very low25.1Very low166 Ų166122.5 Ų122.587%0.86978%0.775SS**  trans-67.297.2174-80.8156.3000107.6V166 A170V166-L168 PolarHBondContact O-N 3.22Å; L168-A170 PolarHBondContact O-N 3.27Å
169T24.4Very low25.2Very low130 Ų130118.8 Ų118.880%0.79877%0.772SS**  trans-61.9103.3161.423.20000107.2A167 P171A167-T169 PolarHBondContact O-N 3.18Å; T169-P171 WeakPolarHBondContact O-CD 3.42Å; T169-P171 VanDerWaalsContact O-N 3.09Å
170A25.9Very low25.4Very low95 Ų95118.3 Ų118.379%0.78577%0.773SS**  trans-53.1111.7178.400000110.2L168 A172L168-A170 PolarHBondContact O-N 3.27Å; A170-A172 PolarHBondContact O-N 2.93Å
171P25.7Very low25.6Very low118 Ų118118.8 Ų118.877%0.76678%0.779SS**  trans-73.9122.8171.4-926.6000107.5T169 N173T169-P171 WeakPolarHBondContact O-CD 3.42Å; T169-P171 VanDerWaalsContact O-N 3.09Å; P171-N173 PolarHBondContact O-N 3.13Å
172A30.9Very low25.7Very low87 Ų87116.3 Ų116.372%0.71978%0.778SS**SBendtrans-57.2127.9164.700000108.4A170A170-A172 PolarHBondContact O-N 2.93Å
173N30.5Very low25.8Very low158 Ų158118.9 Ų118.985%0.84579%0.785SS**SBendtrans94107.2173.7-50.1-28.3000116.5P171P171-N173 PolarHBondContact O-N 3.13Å
174G29.5Very low26Very low74 Ų74119 Ų11976%0.76379%0.785SS**SBendtrans77.3110.5136.200000117.7
175S29.5Very low26.2Very low124 Ų124122.3 Ų122.387%0.86779%0.791SS**  trans84.488161.6-52.10000116.5S177S175-S177 PolarHBondContact O-N 3.37Å
176T26.8Very low26.1Very low144 Ų144119.7 Ų119.788%0.88378%0.782SS**  trans-69101.9164.844.80000110.8
177S24.7Very low26.1Very low107 Ų107119.2 Ų119.275%0.74879%0.785SS**  trans-98.598.3159.472.70000109.2S175 S179S175-S177 PolarHBondContact O-N 3.37Å; S177-S179 PolarHBondContact O-N 2.87Å
178V28.9Very low26.3Very low135 Ų135120.2 Ų120.282%0.81878%0.782SS**  trans-67.8107.2169.8-78.40000108.9
179S22.7Very low26.3Very low100 Ų100118.5 Ų118.570%0.69978%0.781SS**  trans-90.4108.8166.1-650000108S177S177-S179 PolarHBondContact O-N 2.87Å
180S24.5Very low26.3Very low105 Ų105119.5 Ų119.573%0.73478%0.779SS**  trans-58.2140.4170.7-53.30000110.1S182S180-S182 PolarHBondContact O-N 2.97Å; S180-S182 VanDerWaalsContact O-N 3.13Å
181P25.9Very low26.2Very low128 Ų128119.9 Ų119.983%0.83178%0.776SS**  trans-66.2114.718025.4-31.9000110.4L183P181-L183 PolarHBondContact O-N 3.4Å
182S22.5Very low26Very low98 Ų98121.6 Ų121.669%0.68578%0.779SS**  trans-68.2119.7170.258.60000109.3S180 V184S180-S182 PolarHBondContact O-N 2.97Å; S180-S182 VanDerWaalsContact O-N 3.13Å; S182-V184 WeakPolarHBondContact O-CG2 3.26Å; S182-V184 PolarHBondContact O-N 3.29Å
183L24.9Very low25.8Very low174 Ų174124.1 Ų124.191%0.91179%0.786SS**  trans-63.892172.9-71.2162.5000109.5P181 N185P181-L183 PolarHBondContact O-N 3.4Å; L183-N185 PolarHBondContact O-N 3.11Å
184V25.4Very low25.4Very low125 Ų125120 Ų12076%0.75878%0.781SS**  trans-78.994176-147.10000108.2S182 A186S182-V184 WeakPolarHBondContact O-CG2 3.26Å; S182-V184 PolarHBondContact O-N 3.29Å; V184-A186 PolarHBondContact O-N 3.15Å
185N26.2Very low25.3Very low157 Ų157123.3 Ų123.384%0.8479%0.786SS**  trans-77.8100.8169.4-163.426.6000107.6L183L183-N185 PolarHBondContact O-N 3.11Å
186A26.7Very low24.9Very low78 Ų78128.3 Ų128.365%0.64579%0.786SS**  trans-141.791.3175.800000111.3V184 T188V184-A186 PolarHBondContact O-N 3.15Å; A186-T188 PolarHBondContact O-N 3.07Å
187S23.5Very low24.9Very low112 Ų112127.9 Ų127.978%0.78378%0.778SS**  trans-64.5103.6155.7-56.60000109.4
188T27.2Very low24.8Very low110 Ų110128.9 Ų128.968%0.67578%0.775SS**  trans-170.2120.715032.30000109.7A186A186-T188 PolarHBondContact O-N 3.07Å
189P26.3Very low24.7Very low130 Ų130129.6 Ų129.684%0.84477%0.774SS**  trans-87.1117.3-178.932.3-28.5000109.9
190I25.1Very low24.9Very low150 Ų150129.9 Ų129.977%0.76978%0.776SS**  trans-138.4104.8170.9-44.5177.6000111.3
191S22.7Very low24.9Very low103 Ų103135.1 Ų135.172%0.7278%0.781SS**  trans33.4121.4138.3-1600000120.1T193S191-T193 PolarHBondContact O-N 2.94Å
192N22.5Very low24.8Very low155 Ų155137 Ų13783%0.82978%0.779SS**  trans-29.6113.8157.3-73-12000113.5
193T24.9Very low25Very low140 Ų140136.4 Ų136.486%0.85978%0.78SS**  trans-170.8116.7135.9170000108.4S191S191-T193 PolarHBondContact O-N 2.94Å
194G23Very low25.1Very low71 Ų71133 Ų13373%0.73278%0.777SS**  trans43.4150143.100000122.7
195V27Very low25.1Very low143 Ų143130.9 Ų130.987%0.86777%0.773SS**  trans92.788.7148.6-1540000117
196R21.4Very low25.1Very low230 Ų230130.3 Ų130.387%0.86878%0.775SS**  24109.6119.5-159.1-176.6-158.4-178.95.3117.3
197N26.2Very low24.9Very low135 Ų135131.3 Ų131.372%0.72278%0.777SS**  174.2131.3123.5-113.910.2000115.5
198D23.3Very low25.3Very low127 Ų127132.4 Ų132.468%0.67977%0.773SS**  trans26.1126.1133-55.7-20.4000123.6
199N25.8Very low25.1Very low151 Ų151134.8 Ų134.881%0.80778%0.778SS**  trans56.3123.2140-68.1-11.8000121
200S27.4Very low25Very low106 Ų106136.2 Ų136.274%0.74177%0.774SS**  166134.9118.2330000117.6
201Y25.2Very low25.1Very low214 Ų214134.3 Ų134.384%0.83977%0.774SS**  trans66.1123.2134.6-63.5-61.3000126.1
202Q23.9Very low25.1Very low168 Ų168135.7 Ų135.779%0.78578%0.778SS**  99135118.4-90.3-162.86.200125.2
203A26.5Very low25.5Very low86 Ų86134.3 Ų134.371%0.71178%0.777SS**  trans88.2115.8137.600000119.7
204A26.2Very low25.4Very low102 Ų102135.4 Ų135.484%0.84377%0.773SS**  93.1149.890.600000111.8
205A25.5Very low25.5Very low81 Ų81139 Ų13967%0.66977%0.773SS**  cis-176.5169.6-13.600000106.1
206T27.3Very low25.6Very low145 Ų145139.5 Ų139.589%0.8977%0.77SS**  trans77.2150.6164.671.10000118
207S22.9Very low25.8Very low99 Ų99134.3 Ų134.369%0.69277%0.769SS**  cis169.6166.7-16.9179.20000105.9
208I31Very low25.7Very low135 Ų135131.8 Ų131.869%0.69278%0.776SS**  trans103.2104.7154.6-53.3172.5000117.3
209M22.5Very low25.7Very low159 Ų159129.5 Ų129.578%0.78378%0.781SS**  37147.2117.6-67.4-178.4-93.700118
210E25Very low25.7Very low160 Ų160128.1 Ų128.175%0.74878%0.784SS**  cis170.3165.112.3164.9174.3-167.900104.7
211S26.2Very low25.9Very low111 Ų111127.8 Ų127.878%0.77679%0.788SS**  trans118.3102.7153.7-44.70000116.8
212V23.8Very low25.8Very low132 Ų132122.3 Ų122.380%0.879%0.787SS**  trans-73.3142.8156.3172.30000109.6
213P31.4Very low25.7Very low125 Ų125117.9 Ų117.981%0.81279%0.786SS**  trans-98.9118152.325.6-11.3000110.4
214E22Very low26.1Very low164 Ų164120 Ų12077%0.76679%0.792SS**  trans-81.1-167.6164.2-150178.2-176.600109.5
215I25.6Very low26Very low146 Ų146121.9 Ų121.975%0.74979%0.793SS**  trans75.7129.6168.555.3168.8000118
216L28.9Very low26.1Very low153 Ų153121.7 Ų121.780%0.80180%0.799SS**  cis-161.9148.96.9-106.1158.7000111.2
217S24.1Very low26Very low121 Ų121126 Ų12685%0.84680%0.799SS**  trans-60.2151.7164.5-57.10000114.4
218G25.4Very low26.1Very low83 Ų83126.1 Ų126.186%0.85680%0.8SS**  trans162.4117.7159.400000108.6
219G23Very low26Very low78 Ų78127 Ų12780%0.80481%0.805SS**  cis144.4121.421.200000106
220S25.5Very low26.5Very low123 Ų123125 Ų12586%0.8680%0.803SS**  trans-56153.8180-58.70000114.9
221A31.4Very low26.6Very low99 Ų99124.3 Ų124.382%0.81881%0.805SS**  trans-148.7101.3138.100000106.8
222A23.6Very low26.5Very low99 Ų99124.5 Ų124.582%0.81880%0.802SS**  67.797.364.800000114.3
223G22.7Very low26.6Very low75 Ų75122.4 Ų122.477%0.77380%0.798SS**  trans94.4165.6137.400000118.8
224P34.1Very low26.6Very low130 Ų130126.9 Ų126.984%0.84481%0.805SS**  cis-121.7153.42.535.9-20.2000115.3
225V24.2Very low26.7Very low141 Ų141123.6 Ų123.686%0.85580%0.8SS**  trans-63.4128.6155.9170.30000108.9
226G28.4Very low26.7Very low78 Ų78123.5 Ų123.580%0.80480%0.8SS**  trans-145.690.517300000110.8
227R23.8Very low26.9Very low235 Ų235121.1 Ų121.189%0.88780%0.802SS**  trans-68.4136.2165.1-78167.7144.9-178.1-6.2110
228S26.4Very low26.9Very low101 Ų101120.2 Ų120.271%0.70680%0.796SS**  trans171.899.5138.246.30000109.6
229I27.3Very low27.7Very low154 Ų154121.9 Ų121.979%0.7979%0.792SS**  77.3122.3107.9-62.3161.9000113.4
230P33.4Very low28.1Very low117 Ų117126.1 Ų126.176%0.7679%0.794SS**  trans-87.7135.4-177.735-29.4000110.2
231D27.7Very low28.1Very low145 Ų145124 Ų12478%0.77578%0.784SS**  trans-128109.5163.3-108.5-31.3000111.3
232T24.5Very low27.8Very low116 Ų116126.3 Ų126.371%0.71279%0.787SS**  trans46.5111.3131.630.50000118.7
233A25.9Very low27.9Very low88 Ų88125.8 Ų125.873%0.72778%0.783SS**  62110.3123.600000117.5
234K31.2Very low28.5Very low218 Ų218128 Ų12895%0.94878%0.784SS**  -162.2157.7109.6-106.6162.5-173.2175.10112.4
235S24.5Very low28.5Very low96 Ų96134 Ų13467%0.67179%0.789SS**  trans-113.7162.9-153.9-158.20000110.5
236I25.1Very low28.6Very low144 Ų144136.2 Ų136.274%0.73879%0.791SS**  trans72.7109.1153.3-59145.1000116.4
237A33.1Very low28.9Very low103 Ų103138.2 Ų138.285%0.85179%0.789SS**  -144121.2128.400000109.3
238S24.8Very low29.1Very low102 Ų102136.1 Ų136.171%0.71379%0.787SS**  trans-85-154.3-176.4-550000111.4
239P40.9Very low29.2Very low118 Ų118138.1 Ų138.177%0.76679%0.789SS**  -122.1160.9-110.234.9-14.9000114.1
240I31.8Very low29.2Very low167 Ų167136.1 Ų136.186%0.85679%0.788SS**  trans-143.199.7167.4-60.7179.9000106.4
241A26.3Very low29.2Very low78 Ų78135.7 Ų135.765%0.64579%0.788SS**  88.4115.779.100000113.7
242V23.9Very low29.4Very low148 Ų148136.1 Ų136.190%0.89780%0.796SS**  trans68.7131.8134.4-178.80000116.1
243A26.8Very low29.8Very low87 Ų87136 Ų13672%0.71980%0.8SS**  cis-166.317932.500000110.5
244P34.5Very low30Very low123 Ų123135.1 Ų135.180%0.79980%0.799SS**  trans-94.6152.1-156.637.4-33.3000114.8
245R34.4Very low30.1Very low254 Ų254130.6 Ų130.696%0.95879%0.79SS**  trans-130.8137157.8-80.5-166.8169.8-179.4-1.8111.4
246E25.3Very low30.2Very low189 Ų189137 Ų13788%0.88380%0.8SS**  trans-66.7168.1-169.8-83.9-179.6157.200116.3
247P36.2Very low30.6Very low119 Ų119135.3 Ų135.377%0.77380%0.8SS**  trans-92.3139.8-159.334.7-30.4000112.7
248K26.9Very low30.5Very low192 Ų192138.1 Ų138.184%0.83579%0.793SS**  trans-152.1122.7156.8-111.6169.7-172.6174.90112.7
249L29Very low31Very low143 Ų143138.4 Ų138.475%0.74979%0.793SS**  trans74.2100.5149.5-64.3162.4000118.4S251L249-S251 PolarHBondContact O-N 2.99Å
250S27Very low30.6Very low111 Ų111140.9 Ų140.978%0.77680%0.799SS**  trans-26.2112.114554.20000113.2
251S33.5Very low30.7Very low108 Ų108140.6 Ų140.676%0.75580%0.798SS**  trans-135.7110.6153.5-73.50000106.4L249 S253L249-S251 PolarHBondContact O-N 2.99Å; S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact O-N 3.37Å
252T31.4Very low30.9Very low155 Ų155141.5 Ų141.595%0.95180%0.8SS**  trans-61.391.7172.446.20000108.9
253S34.2Very low31.3Very low113 Ų113142.7 Ų142.779%0.7980%0.8SS**  trans-126.992.2165.7152.50000103.9S251S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact O-N 3.37Å
254G30.3Very low31.4Very low69 Ų69144 Ų14471%0.71180%0.799SS**  93.669.971.900000107.2
255V32.4Very low31.3Very low124 Ų124145.5 Ų145.575%0.75280%0.8SS**  trans31.499.3161.2-167.90000116.4S257V255-S257 VanDerWaalsContact C-N 3.3Å; V255-S257 PolarHBondContact O-N 2.62Å
256R27.2Very low31.3Very low231 Ų231136.2 Ų136.287%0.87278%0.783SS**  trans-60.188.8158.4-166.7-178.4-169.6-174.53.8108.8K258R256-K258 VanDerWaalsContact C-N 3.35Å; R256-K258 PolarHBondContact O-N 2.9Å
257S32Very low32.2Very low107 Ų107136 Ų13675%0.74879%0.788SS**  trans-65.595.6171.4-54.10000108.6V255V255-S257 VanDerWaalsContact C-N 3.3Å; V255-S257 PolarHBondContact O-N 2.62Å
258K32.8Very low32.4Very low163 Ų163135.9 Ų135.971%0.70978%0.777SS**  trans-60.9140.6164.9-69.8175.9179.3174.40107.7R256 L260R256-K258 VanDerWaalsContact C-N 3.35Å; R256-K258 PolarHBondContact O-N 2.9Å; K258-L260 PolarHBondContact O-N 3.36Å
259P34.6Very low32.9Very low108 Ų108133.2 Ų133.270%0.70177%0.772SS**  trans-61.1127.7177.826.2-32.1000108.4L261P259-L261 PolarHBondContact O-N 3.21Å
260L33.1Very low33.5Very low170 Ų170129.9 Ų129.989%0.8977%0.765SS**SBendtrans-66.472.5168.9-77.9162.6000108.7K258K258-L260 PolarHBondContact O-N 3.36Å
261L33.3Very low34Very low160 Ų160126.9 Ų126.984%0.83875%0.751SS**  trans-123.359.7165.1-75.7170.9000107.1P259P259-L261 PolarHBondContact O-N 3.21Å
262S30.3Very low34.2Very low98 Ų98128.7 Ų128.769%0.68575%0.748SS**  trans-151.663.2167.772.50000110.5
263L31.3Very low34.4Very low172 Ų172125.3 Ų125.390%0.90172%0.723SS**  trans-120.584.6151-92.8152.2000106.3
264V28.6Very low34.6Very low116 Ų116125.4 Ų125.470%0.70371%0.713SS**  trans-92.3136.2162.6155.70000105.9
265N33.1Very low35.2Very low154 Ų154127.7 Ų127.782%0.82471%0.71SS**  trans105107.4164.8-62-25.7000117.5
266G34.7Very low35.3Very low58 Ų58126.3 Ų126.360%0.59871%0.705SS**SBendtrans125.494.7143.700000115.1E268G266-E268 PolarHBondContact O-N 3.07Å
267D43.6Very low35.6Very low184 Ų184120.3 Ų120.398%0.98469%0.69SS**  trans34.723.2147.8-80.1-17.2000121.6
268E40.6Very low35.9Very low118 Ų118121.2 Ų121.255%0.55169%0.686SS**  trans-92.8112.8175.157.5-166139.200110.8G266 A270 M273G266-E268 PolarHBondContact O-N 3.07Å; E268-A270 PolarHBondContact O-N 3.44Å; E268-M273 HydrophobicContact CG-CG 4.1Å; E268-M273 HydrophobicContact CG-SD 4.09Å
269N38.3Very low36.3Very low135 Ų135118.8 Ų118.872%0.72269%0.686SS**  trans-55.7125.9179-162.3-5.2000109.5G271 Q272N269-G271 PolarHBondContact O-N 2.6Å; N269-Q272 PolarHBondContact O-N 2.82Å
270A41.5Very low36.4Very low74 Ų74117.9 Ų117.961%0.61269%0.688SS**Hα-helixtrans-51.3-18.9-169.100000115.5E268E268-A270 PolarHBondContact O-N 3.44Å
271G36.2Very low36.3Very low47 Ų47115.5 Ų115.549%0.48568%0.675SS.*Hα-helixtrans-68-34.2173.800000114.9N269N269-G271 PolarHBondContact O-N 2.6Å
272Q39.4Very low36.4Very low146 Ų146113.6 Ų113.668%0.68268%0.675SS**Hα-helixtrans-82.7-21.8-176.1-68-158-11.300113.9N269 S276N269-Q272 PolarHBondContact O-N 2.82Å; Q272-S276 PolarHBondContact O-N 2.86Å; Q272-S276 VanDerWaalsContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.3Å
273M35.1Very low36.4Very low85 Ų85111.8 Ų111.842%0.41966%0.662SS.*Hα-helixtrans-69.6-35.9174.3-76.4-175.267.600112.3E268 S276 L277E268-M273 HydrophobicContact CG-CG 4.1Å; E268-M273 HydrophobicContact CG-SD 4.09Å; M273-S276 PolarHBondContact O-N 3.42Å; M273-L277 WeakPolarHBondContact O-CG 3.04Å; M273-L277 PolarHBondContact O-N 2.84Å; M273-L277 VanDerWaalsContact O-N 3.12Å
274L39Very low36.8Very low114 Ų114107.4 Ų107.460%0.59765%0.645SS**Hα-helixtrans-69.6-41.4178.1-70.4174.4000111.4S276 L277 L278L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.05Å; L274-L277 PolarHBondContact O-N 3.3Å; L274-L277 VanDerWaalsContact O-N 3.17Å; L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 2.7Å; L274-L278 VanDerWaalsContact O-N 3.17Å
275D41.7Very low37Very low118 Ų118107.6 Ų107.663%0.63164%0.64SS**Hα-helixtrans-65.4-30.6175.6-87.4-5.9000112.6P279D275-P279 VanDerWaalsContact O-CD 3.31Å; D275-P279 WeakPolarHBondContact O-CD 3.12Å
276S35.4Very low37.1Very low95 Ų95106.2 Ų106.266%0.66463%0.633SS**Hα-helixtrans-77.9-22.3175.5-57.80000113.3Q272 M273 L274Q272-S276 PolarHBondContact O-N 2.86Å; Q272-S276 VanDerWaalsContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.3Å; M273-S276 PolarHBondContact O-N 3.42Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.05Å
277L33.9Very low37Very low105 Ų105107.2 Ų107.255%0.5563%0.627SS.*Hα-helixtrans-83.4-21.9175.3-77.3166.4000113M273 L274M273-L277 WeakPolarHBondContact O-CG 3.04Å; M273-L277 PolarHBondContact O-N 2.84Å; M273-L277 VanDerWaalsContact O-N 3.12Å; L274-L277 PolarHBondContact O-N 3.3Å; L274-L277 VanDerWaalsContact O-N 3.17Å
278L36.9Very low36.4Very low126 Ų126102.3 Ų102.366%0.6660%0.604SS**THydrogen-bonded Turntrans-75-17.7-173.6-79.1167.6000117L274L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 2.7Å; L274-L278 VanDerWaalsContact O-N 3.17Å
279P41.7Very low36.3Very low111 Ų111101.2 Ų101.272%0.72161%0.605SS**THydrogen-bonded Turntrans-91.4-7.6176.1-14.931.7000116.5D275D275-P279 VanDerWaalsContact O-CD 3.31Å; D275-P279 WeakPolarHBondContact O-CD 3.12Å
280A36.2Very low36.3Very low89 Ų89101.5 Ų101.574%0.73660%0.602SS**THydrogen-bonded Turntrans-115.1-11.9-169.700000116S282A280-S282 VanDerWaalsContact C-N 3.33Å; A280-S282 PolarHBondContact O-N 3.19Å
281I31.5Very low35.9Very low120 Ų120104.8 Ų104.862%0.61561%0.605SS**  trans-97.261170.545.5166.1000110.5S283I281-S283 PolarHBondContact O-N 3.43Å
282S34.7Very low36Very low121 Ų121108.2 Ų108.285%0.84661%0.611SS**  trans-65.271.4139.7-164.90000106.3A280A280-S282 VanDerWaalsContact C-N 3.33Å; A280-S282 PolarHBondContact O-N 3.19Å
283S32.1Very low36.5Very low59 Ų59104 Ų10441%0.41360%0.598SS.*  trans-82146.4-170.4-150.30000108.3I281 I285I281-S283 PolarHBondContact O-N 3.43Å; S283-I285 PolarHBondContact O-N 2.82Å
284P38.5Very low37Very low81 Ų81102.3 Ų102.353%0.52660%0.598SS.*THydrogen-bonded Turntrans-65.112-164.6-17.931.2000116.6D286 T287 V288P284-D286 VanDerWaalsContact C-N 3.26Å; P284-D286 PolarHBondContact O-N 2.71Å; P284-T287 PolarHBondContact O-N 3.25Å; P284-T287 VanDerWaalsContact O-N 3.11Å; P284-V288 WeakPolarHBondContact O-CG2 2.9Å; P284-V288 PolarHBondContact O-N 2.82Å
285I32.5Very low37.6Very low120 Ų120102.2 Ų102.262%0.61560%0.598SS**Hα-helixtrans-60.8-40179.7-62.4173.8000109.9S283 T287 V288 V289S283-I285 PolarHBondContact O-N 2.82Å; I285-T287 VanDerWaalsContact C-N 3.29Å; I285-T287 PolarHBondContact O-N 2.95Å; I285-V288 PolarHBondContact O-N 3.22Å; I285-V289 HydrophobicContact CG2-CG2 4.4Å; I285-V289 WeakPolarHBondContact O-CG2 3.49Å; I285-V289 PolarHBondContact O-N 3.14Å
286D34.8Very low38.3Very low125 Ų125101.7 Ų101.767%0.66859%0.591SS**Hα-helixtrans-62.8-37.2175.4-75-23.1000111.9P284 E290P284-D286 VanDerWaalsContact C-N 3.26Å; P284-D286 PolarHBondContact O-N 2.71Å; D286-E290 PolarHBondContact O-N 2.92Å
287T34Very low39.1Very low78 Ų78101.7 Ų101.748%0.47958%0.583SS.*Hα-helixtrans-73.1-35.5179.3-20.70000112.4P284 I285 Q291P284-T287 PolarHBondContact O-N 3.25Å; P284-T287 VanDerWaalsContact O-N 3.11Å; I285-T287 VanDerWaalsContact C-N 3.29Å; I285-T287 PolarHBondContact O-N 2.95Å; T287-Q291 PolarHBondContact O-N 3.13Å
288V30.7Very low40.3Very low82 Ų82102 Ų10250%0.49759%0.585SS.*Hα-helixtrans-73-35.2178.5-179.50000111.1P284 I285 L292P284-V288 WeakPolarHBondContact O-CG2 2.9Å; P284-V288 PolarHBondContact O-N 2.82Å; I285-V288 PolarHBondContact O-N 3.22Å; V288-L292 HydrophobicContact CG1-CD1 3.93Å; V288-L292 WeakPolarHBondContact O-CB 3.41Å; V288-L292 WeakPolarHBondContact O-CG 3.38Å; V288-L292 PolarHBondContact O-N 3.06Å; V288-L292 VanDerWaalsContact O-N 3.16Å
289V37.6Very low41.3Very low94 Ų94103.5 Ų103.557%0.5758%0.581SS**Hα-helixtrans-71.2-40176175.30000111.4I285 S293I285-V289 HydrophobicContact CG2-CG2 4.4Å; I285-V289 WeakPolarHBondContact O-CG2 3.49Å; I285-V289 PolarHBondContact O-N 3.14Å; V289-S293 PolarHBondContact O-N 2.89Å
290E38.3Very low42.1Very low142 Ų142104.3 Ų104.366%0.66458%0.575SS**Hα-helixtrans-62.5-45176.7-81.7-168.2156.300112.3D286 S293 A294D286-E290 PolarHBondContact O-N 2.92Å; E290-S293 PolarHBondContact O-N 2.69Å; E290-S293 PolarHBondContact O-OG 3.44Å; E290-A294 PolarHBondContact O-N 2.9Å
291Q33.9Very low42.9Very low143 Ų143104.2 Ų104.267%0.66856%0.562SS**Hα-helixtrans-73.1-36.1-177.9-75.2-171.6-16.900113.9T287 S293T287-Q291 PolarHBondContact O-N 3.13Å; Q291-S293 PolarHBondContact O-N 3.37Å
292L37.3Very low43.9Very low118 Ų118100.3 Ų100.362%0.61855%0.551SS**Hα-helixtrans-64.4-27.8174.2-78168.8000111.8V288 H296V288-L292 HydrophobicContact CG1-CD1 3.93Å; V288-L292 WeakPolarHBondContact O-CB 3.41Å; V288-L292 WeakPolarHBondContact O-CG 3.38Å; V288-L292 PolarHBondContact O-N 3.06Å; V288-L292 VanDerWaalsContact O-N 3.16Å; L292-H296 WeakPolarHBondContact O-CB 3.32Å
293S51.9Low45Very low59 Ų59103.4 Ų103.441%0.41355%0.545SS..Hα-helixtrans-72.4-47.8-178.481.50000112.6V289 E290 Q291 I297V289-S293 PolarHBondContact O-N 2.89Å; E290-S293 PolarHBondContact O-N 2.69Å; E290-S293 PolarHBondContact O-OG 3.44Å; Q291-S293 PolarHBondContact O-N 3.37Å; S293-I297 VanDerWaalsContact O-CB 3.26Å; S293-I297 WeakPolarHBondContact O-CB 3.4Å; S293-I297 WeakPolarHBondContact O-CD1 3.24Å; S293-I297 WeakPolarHBondContact O-CG1 3.33Å; S293-I297 PolarHBondContact O-N 3.19Å; S293-I297 VanDerWaalsContact O-N 3.17Å
294A44.2Very low46Very low49 Ų49104 Ų10441%0.40555%0.553SS.*Hα-helixtrans-72.9-47.5-171.100000112.8E290 I297 L298E290-A294 PolarHBondContact O-N 2.9Å; A294-I297 PolarHBondContact O-N 3.35Å; A294-L298 WeakPolarHBondContact O-CB 3.46Å; A294-L298 VanDerWaalsContact O-CG 3.29Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 3.27Å
295D51.5Low46.4Very low111 Ų111108.5 Ų108.559%0.59456%0.564SS**Hα-helixtrans-70.3-34.7-176.6-85.2-7.5000112.6R299D295-R299 VanDerWaalsContact O-CB 3.24Å; D295-R299 WeakPolarHBondContact O-CB 3.09Å; D295-R299 PolarHBondContact O-N 2.76Å
296H57.7Low47.2Very low107 Ų107113.8 Ų113.850%0.49558%0.576SS.*Hα-helixtrans-69.2-45.3176.5-151.9110.2000110.7L292 L298 R299 E300L292-H296 WeakPolarHBondContact O-CB 3.32Å; H296-L298 PolarHBondContact O-N 3.03Å; H296-R299 PolarHBondContact O-N 3.32Å; H296-E300 IonicContact CD2-OE2 3.36Å; H296-E300 WeakPolarHBondContact O-CB 3.3Å; H296-E300 PolarHBondContact O-N 3.1Å
297I52.2Low47.8Very low95 Ų95119.2 Ų119.249%0.48759%0.594SS.*Hα-helixtrans-61.1-45.9176.3-68.6168.1000110.7S293 A294 R299 E300 I301S293-I297 VanDerWaalsContact O-CB 3.26Å; S293-I297 WeakPolarHBondContact O-CB 3.4Å; S293-I297 WeakPolarHBondContact O-CD1 3.24Å; S293-I297 WeakPolarHBondContact O-CG1 3.33Å; S293-I297 PolarHBondContact O-N 3.19Å; S293-I297 VanDerWaalsContact O-N 3.17Å; A294-I297 PolarHBondContact O-N 3.35Å; I297-R299 VanDerWaalsContact C-N 3.34Å; I297-R299 PolarHBondContact O-N 2.74Å; I297-E300 PolarHBondContact O-N 2.94Å; I297-I301 HydrophobicContact CG2-CD1 3.68Å; I297-I301 HydrophobicContact CG2-CG1 4.4Å; I297-I301 VanDerWaalsContact O-CG1 3.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.33Å; I297-I301 PolarHBondContact O-N 2.86Å
298L58Low48.4Very low112 Ų112121.3 Ų121.359%0.58660%0.6SS**Hα-helixtrans-64.6-37.1178.3-73.6173.6000112.4A294 H296 G302A294-L298 WeakPolarHBondContact O-CB 3.46Å; A294-L298 VanDerWaalsContact O-CG 3.29Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 3.27Å; H296-L298 PolarHBondContact O-N 3.03Å; L298-G302 PolarHBondContact O-N 2.71Å
299R57.9Low49.4Very low158 Ų158123.4 Ų123.460%0.59661%0.606SS**Hα-helixtrans-66.1-39.1175-171.2-177.4-60.6168.33111.9D295 H296 I297 G302 R303D295-R299 VanDerWaalsContact O-CB 3.24Å; D295-R299 WeakPolarHBondContact O-CB 3.09Å; D295-R299 PolarHBondContact O-N 2.76Å; H296-R299 PolarHBondContact O-N 3.32Å; I297-R299 VanDerWaalsContact C-N 3.34Å; I297-R299 PolarHBondContact O-N 2.74Å; R299-G302 PolarHBondContact O-N 3.44Å; R299-R303 PolarHBondContact O-N 3.3Å
300E58.3Low50Low127 Ų127125 Ų12559%0.59361%0.608SS**Hα-helixtrans-71.2-40.4179.8-154145.6-154.800111.4H296 I297 G302 R303 A304H296-E300 IonicContact CD2-OE2 3.36Å; H296-E300 WeakPolarHBondContact O-CB 3.3Å; H296-E300 PolarHBondContact O-N 3.1Å; I297-E300 PolarHBondContact O-N 2.94Å; E300-G302 PolarHBondContact O-N 3.18Å; E300-R303 PolarHBondContact O-N 3.35Å; E300-A304 PolarHBondContact O-N 2.78Å; E300-A304 VanDerWaalsContact O-N 3.08Å
301I54Low50.7Low87 Ų87124 Ų12445%0.44660%0.604SS.*Hα-helixtrans-63-41.1169.9-65166.7000111.2I297 R303 A304 K305I297-I301 HydrophobicContact CG2-CD1 3.68Å; I297-I301 HydrophobicContact CG2-CG1 4.4Å; I297-I301 VanDerWaalsContact O-CG1 3.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.33Å; I297-I301 PolarHBondContact O-N 2.86Å; I301-R303 PolarHBondContact O-N 3.33Å; I301-A304 PolarHBondContact O-N 3.15Å; I301-K305 PolarHBondContact O-N 3.35Å
302G51.6Low51.8Low39 Ų39122.8 Ų122.840%0.40260%0.6SS.*Hα-helixtrans-64.4-36.3177.800000113.5L298 R299 E300L298-G302 PolarHBondContact O-N 2.71Å; R299-G302 PolarHBondContact O-N 3.44Å; E300-G302 PolarHBondContact O-N 3.18Å
303R59.2Low52.8Low186 Ų186123.1 Ų123.170%0.70260%0.599SS**Hα-helixtrans-67.7-40.8172.2-85.2-176.3172.6162.9-3.1112.1R299 E300 I301 K305 R306R299-R303 PolarHBondContact O-N 3.3Å; E300-R303 PolarHBondContact O-N 3.35Å; I301-R303 PolarHBondContact O-N 3.33Å; R303-K305 VanDerWaalsContact C-N 3.26Å; R303-K305 PolarHBondContact O-N 2.74Å; R303-R306 PolarHBondContact O-N 2.91Å
304A52.3Low52.8Low70 Ų70127.7 Ų127.758%0.57961%0.612SS**Hα-helixtrans-65.4-25.5179.800000113.6E300 I301E300-A304 PolarHBondContact O-N 2.78Å; E300-A304 VanDerWaalsContact O-N 3.08Å; I301-A304 PolarHBondContact O-N 3.15Å
305K46.6Very low53.5Low176 Ų176133.8 Ų133.877%0.76563%0.628SS**THydrogen-bonded Turntrans-82.6-6.4177.4-86.3-172.7176.3-179.10115.7I301 R303I301-K305 PolarHBondContact O-N 3.35Å; R303-K305 VanDerWaalsContact C-N 3.26Å; R303-K305 PolarHBondContact O-N 2.74Å
306R49.5Very low53.6Low232 Ų232135.7 Ų135.788%0.87563%0.631SS**THydrogen-bonded Turntrans-96.14.3177.2-73.5-164.7-175.9-153.32.5113.8R303R303-R306 PolarHBondContact O-N 2.91Å
307F46.5Very low53.3Low239 Ų239138.3 Ų138.3100%1.04864%0.644SS**  trans-112.50167.7-64.5-80.9000109

Retrieved 307 of 307 residues in 215.1 ms (Link to these results)