A0A3Q0KDK5_SCHMA Loading...

Thyrotroph embryonic factor related

AlphaFold DB , UniProt , Accession A0A3Q0KDK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 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
1M43.5Very low48Very low244 Ų244153.1 Ų153.1100%1.20283%0.83SS**  0116.70-88.7171.816500108.6
2M50.6Low47.4Very low180 Ų180150.8 Ų150.889%0.88782%0.816SS**  trans55.796.9155.8-58.5-100.1-159.900119.5
3Q42Very low47.4Very low193 Ų193150.2 Ų150.290%0.90281%0.811SS**  trans-83.7137.6153.4-152.7119.126.600108.3
4V60Low46.9Very low116 Ų116152.1 Ų152.170%0.70381%0.812SS**  trans-133.9115.8170.2-167.10000108.8
5P51.5Low46.8Very low111 Ų111147 Ų14772%0.72179%0.793SS**  trans-93.3137.6165.733.7-25.1000110
6F56.1Low46.4Very low208 Ų208147.1 Ų147.191%0.91279%0.793SS**  trans-89.3103.8174.3-112.8-90.8000109.7
7E41.6Very low46.4Very low183 Ų183145.6 Ų145.686%0.85578%0.784SS**  trans-81.4138.8156.9-79-81.9153.200108.6
8G47.8Very low46.1Very low59 Ų59147.3 Ų147.361%0.60879%0.786SS**  trans-158.991.5-17400000114.4
9T47.2Very low45.7Very low139 Ų139147.9 Ų147.985%0.85379%0.787SS**  trans78.496.2147.763.20000119.3
10S41.6Very low45.7Very low96 Ų96152.2 Ų152.267%0.67179%0.792SS**  trans-60.9137.8147.9172.20000111
11L46.4Very low45.5Very low155 Ų155152.2 Ų152.281%0.81279%0.793SS**  trans-130.490.1159.8-90.4166.1000107.7L13L11-L13 PolarHBondContact O-N 3.19Å
12D40.1Very low45.3Very low125 Ų125144.7 Ų144.767%0.66877%0.77SS**  trans-66.7114.9158.5-84.1-45000109.2
13L47.5Very low45Very low144 Ų144142.1 Ų142.175%0.75477%0.768SS**  trans-110.186.1156.9-110.182000108.8L11 S15L11-L13 PolarHBondContact O-N 3.19Å; L13-S15 PolarHBondContact O-N 2.72Å
14H40.5Very low45.3Very low177 Ų177140.7 Ų140.782%0.81976%0.762SS**  trans-66.3103.8152.5-82.576.9000108.1
15S46.3Very low44.4Very low75 Ų75142.8 Ų142.852%0.52477%0.768SS.*  trans-153.1109.2158.363.50000110.3L13L13-S15 PolarHBondContact O-N 2.72Å
16N40.4Very low43.7Very low148 Ų148144 Ų14479%0.79177%0.768SS**  trans65.5136.8142.5-66-53.9000117.2
17L45.2Very low43.1Very low122 Ų122140.4 Ų140.464%0.63976%0.763SS**  cis-178127.6-8-160.169.4000100.6
18Q41Very low42.9Very low177 Ų177140.3 Ų140.383%0.82776%0.763SS**  trans45.280.3154.3-64168.90.500118.1
19I39.9Very low42.7Very low158 Ų158143.4 Ų143.481%0.8177%0.77SS**  trans-132.965.5153.1-47.3176.9000108
20R44.8Very low42.2Very low234 Ų234139.8 Ų139.888%0.88376%0.76SS**SBendtrans-124-0.7171.6-97.3-174.4-178154.52.2115.3
21D41.4Very low41.7Very low153 Ų153138.9 Ų138.982%0.81877%0.766SS**SBendtrans-126.120.7-176.1-64.3-37000115.5
22A39.5Very low41.4Very low86 Ų86140.5 Ų140.571%0.71177%0.767SS**  trans-92.712.6177.200000114.6Q24A22-Q24 VanDerWaalsContact C-N 3.26Å; A22-Q24 PolarHBondContact O-N 3.14Å
23C45Very low41.7Very low125 Ų125143 Ų14385%0.84577%0.774SS**SBendtrans-79.76.9176.4-740000114.6
24Q47.9Very low41.5Very low164 Ų164143.6 Ų143.677%0.76678%0.779SS**SBendtrans-129.40-170.8-69.6-175.52000117A22A22-Q24 VanDerWaalsContact C-N 3.26Å; A22-Q24 PolarHBondContact O-N 3.14Å
25L40.9Very low41.9Very low159 Ų159139.6 Ų139.683%0.83276%0.762SS**SBendtrans-124.324.7-171.4-67179.4000116.8
26N36.1Very low41.8Very low138 Ų138141.5 Ų141.574%0.73876%0.763SS**  trans-125.323.5165.9-143.14.2000114.3Q28N26-Q28 PolarHBondContact O-N 3.47Å
27T43.8Very low42.4Very low131 Ų131140.1 Ų140.180%0.80476%0.762SS**  trans-83.635.8169.1-450000111.3
28Q37.8Very low42.8Very low182 Ų182138.3 Ų138.385%0.8576%0.759SS**  trans-133.257.2173.9-67.7-166.132.700110N26N26-Q28 PolarHBondContact O-N 3.47Å
29V42.6Very low43.1Very low123 Ų123135.4 Ų135.475%0.74574%0.744SS**SBendtrans-105.6120.4156.2-177.30000106.2
30G37Very low43.5Very low63 Ų63132.8 Ų132.865%0.64974%0.74SS**  trans-25.1134.1-169.700000117.1F32G30-F32 PolarHBondContact O-N 2.9Å; G30-F32 VanDerWaalsContact O-N 3.14Å
31G31.2Very low43.9Very low78 Ų78122.8 Ų122.880%0.80471%0.706SS**  trans-46.9117178.900000112.7Q33G31-Q33 PolarHBondContact O-N 3.41Å; G31-Q33 VanDerWaalsContact O-N 3.14Å
32F40Very low44.4Very low189 Ų189120.8 Ų120.883%0.82970%0.703SS**  trans-62.5113.3153.5-74.9-82.6000106.3G30 N34G30-F32 PolarHBondContact O-N 2.9Å; G30-F32 VanDerWaalsContact O-N 3.14Å; F32-N34 PolarHBondContact O-N 3.08Å; F32-N34 VanDerWaalsContact O-N 3.08Å
33Q47.1Very low45.2Very low176 Ų176119 Ų11982%0.82268%0.681SS**  trans-45.5120.2168.1-68.7-78.37.800107.4G31 I35G31-Q33 PolarHBondContact O-N 3.41Å; G31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-I35 PolarHBondContact O-N 3.25Å
34N43.4Very low45.7Very low158 Ų158116.2 Ų116.285%0.84565%0.653SS**  trans-50.6114.2172.4-79.2-67.9000107.7F32 H36F32-N34 PolarHBondContact O-N 3.08Å; F32-N34 VanDerWaalsContact O-N 3.08Å; N34-H36 PolarHBondContact O-N 2.98Å; N34-H36 VanDerWaalsContact O-N 3.1Å
35I49.1Very low46.2Very low92 Ų92112.1 Ų112.147%0.47264%0.641SS.*  trans-60.2119.1170.5-63.1170.9000105.4Q33 F39 Y44Q33-I35 PolarHBondContact O-N 3.25Å; I35-F39 HydrophobicContact CG2-CB 3.9Å; I35-Y44 HydrophobicContact CD1-CD1 4.17Å; I35-Y44 HydrophobicContact CD1-CE1 3.5Å; I35-Y44 VanDerWaalsContact CD1-CE1 3.5Å; I35-Y44 HydrophobicContact CD1-CE2 4.31Å
36H43.6Very low47Very low115 Ų115107.9 Ų107.953%0.53262%0.624SS.*  trans-54.8132.8-174.5175.3-86.8000109.6N34 S38 F39N34-H36 PolarHBondContact O-N 2.98Å; N34-H36 VanDerWaalsContact O-N 3.1Å; H36-S38 PolarHBondContact CE1-OG 2.87Å; H36-S38 WeakPolarHBondContact ND1-CB 3.49Å; H36-S38 PolarHBondContact ND1-OG 2.74Å; H36-S38 PolarHBondContact O-N 3.1Å; H36-F39 HydrophobicContact CB-CD2 3.77Å; H36-F39 HydrophobicContact CB-CE2 3.98Å; H36-F39 AromaticContact ND1-CD2 3.99Å; H36-F39 AromaticContact ND1-CE2 3.96Å; H36-F39 WeakPolarHBondContact O-CD2 3.37Å; H36-F39 PolarHBondContact O-N 2.89Å
37P52.9Low48Very low119 Ų119101.8 Ų101.877%0.77359%0.591SS**THydrogen-bonded Turntrans-62.1-12.2-166.221.2-32.9000114.6F39P37-F39 VanDerWaalsContact C-N 3.3Å
38S53Low48.7Very low84 Ų84101.5 Ų101.559%0.58758%0.581SS**THydrogen-bonded Turntrans-77.3-9.3171.774.40000114.5H36 S40H36-S38 PolarHBondContact CE1-OG 2.87Å; H36-S38 WeakPolarHBondContact ND1-CB 3.49Å; H36-S38 PolarHBondContact ND1-OG 2.74Å; H36-S38 PolarHBondContact O-N 3.1Å; S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 3.14Å
39F47.7Very low49.9Very low117 Ų117100.4 Ų100.451%0.51358%0.576SS.*  trans-9942.2179.3-65.3-84.5000111.9I35 H36 P37 S41I35-F39 HydrophobicContact CG2-CB 3.9Å; H36-F39 HydrophobicContact CB-CD2 3.77Å; H36-F39 HydrophobicContact CB-CE2 3.98Å; H36-F39 AromaticContact ND1-CD2 3.99Å; H36-F39 AromaticContact ND1-CE2 3.96Å; H36-F39 WeakPolarHBondContact O-CD2 3.37Å; H36-F39 PolarHBondContact O-N 2.89Å; P37-F39 VanDerWaalsContact C-N 3.3Å; F39-S41 PolarHBondContact O-N 3.47Å
40S48.9Very low50.6Low102 Ų10296.4 Ų96.471%0.71355%0.552SS**  trans-6878.6170.4-162.40000109.5S38 C42S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 3.14Å; S40-C42 PolarHBondContact O-N 3.24Å
41S52.5Low51.8Low25 Ų2596.1 Ų96.118%0.17554%0.535CS..  trans-64.3128.4160.4167.30000106.6F39 I43 Y44F39-S41 PolarHBondContact O-N 3.47Å; S41-I43 PolarHBondContact O-N 3.41Å; S41-I43 WeakPolarHBondContact OG-CB 3.48Å; S41-I43 PolarHBondContact OG-N 3.5Å; S41-Y44 PolarHBondContact O-N 2.9Å
42C53.5Low53.3Low111 Ų11197.1 Ų97.175%0.7552%0.522SS*.THydrogen-bonded Turntrans-54.6-9.5175.457.50000114S40S40-C42 PolarHBondContact O-N 3.24Å
43I56Low54.5Low49 Ų4990.1 Ų90.125%0.25150%0.496SS..THydrogen-bonded Turntrans-81.6-35.1177-53.1-178.4000111.3S41 S46 L47S41-I43 PolarHBondContact O-N 3.41Å; S41-I43 WeakPolarHBondContact OG-CB 3.48Å; S41-I43 PolarHBondContact OG-N 3.5Å; I43-S46 PolarHBondContact O-N 3.28Å; I43-S46 VanDerWaalsContact O-N 3.16Å; I43-S46 PolarHBondContact O-OG 3.43Å; I43-S46 VanDerWaalsContact O-OG 3.11Å; I43-L47 HydrophobicContact CG2-CD1 3.96Å; I43-L47 HydrophobicContact CG2-CD2 4.26Å; I43-L47 HydrophobicContact CG2-CG 3.99Å; I43-L47 WeakPolarHBondContact O-CG 3.3Å; I43-L47 PolarHBondContact O-N 3.06Å
44Y55.7Low55.1Low65 Ų6582.6 Ų82.626%0.25546%0.462SS..Hα-helixtrans-59.9-41.6-172.4-79.2-68.2000115.1I35 S41 S46 L47 E48I35-Y44 HydrophobicContact CD1-CD1 4.17Å; I35-Y44 HydrophobicContact CD1-CE1 3.5Å; I35-Y44 VanDerWaalsContact CD1-CE1 3.5Å; I35-Y44 HydrophobicContact CD1-CE2 4.31Å; S41-Y44 PolarHBondContact O-N 2.9Å; Y44-S46 VanDerWaalsContact C-N 3.28Å; Y44-S46 PolarHBondContact O-N 2.98Å; Y44-L47 HydrophobicContact CD1-CD1 4.36Å; Y44-L47 WeakPolarHBondContact O-CB 3.26Å; Y44-L47 PolarHBondContact O-N 3.02Å; Y44-L47 VanDerWaalsContact O-N 3.13Å; Y44-E48 PolarHBondContact O-N 3.4Å; Y44-E48 VanDerWaalsContact O-N 3.09Å
45P57.6Low55.8Low79 Ų7979.3 Ų79.351%0.51345%0.445SS..Hα-helixtrans-63.1-30.8178-23.834.8000113.8
46S57Low56.3Low69 Ų6978.7 Ų78.748%0.48345%0.445SS..Hα-helixtrans-78.3-25.9176.584.60000112.6I43 Y44 T50I43-S46 PolarHBondContact O-N 3.28Å; I43-S46 VanDerWaalsContact O-N 3.16Å; I43-S46 PolarHBondContact O-OG 3.43Å; I43-S46 VanDerWaalsContact O-OG 3.11Å; Y44-S46 VanDerWaalsContact C-N 3.28Å; Y44-S46 PolarHBondContact O-N 2.98Å; S46-T50 PolarHBondContact O-OG1 2.94Å
47L56.7Low56.9Low10 Ų1078.6 Ų78.65%0.05245%0.449CS..Hα-helixtrans-72.5-36.5174.3-61-175.6000111.8I43 Y44 Q49 T50 I51 T238I43-L47 HydrophobicContact CG2-CD1 3.96Å; I43-L47 HydrophobicContact CG2-CD2 4.26Å; I43-L47 HydrophobicContact CG2-CG 3.99Å; I43-L47 WeakPolarHBondContact O-CG 3.3Å; I43-L47 PolarHBondContact O-N 3.06Å; Y44-L47 HydrophobicContact CD1-CD1 4.36Å; Y44-L47 WeakPolarHBondContact O-CB 3.26Å; Y44-L47 PolarHBondContact O-N 3.02Å; Y44-L47 VanDerWaalsContact O-N 3.13Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 2.96Å; L47-T50 CarbonylContact O-C 3.58Å; L47-T50 PolarHBondContact O-N 3.26Å; L47-I51 HydrophobicContact CB-CD1 4.01Å; L47-I51 WeakPolarHBondContact O-CB 3.5Å; L47-I51 WeakPolarHBondContact O-CD1 3.49Å; L47-I51 WeakPolarHBondContact O-CG1 3.3Å; L47-I51 PolarHBondContact O-N 2.94Å; L47-T238 WeakPolarHBondContact CD1-OG1 3.29Å; L47-T238 VanDerWaalsContact CD2-CB 3.49Å; L47-T238 HydrophobicContact CD2-CG2 3.63Å; L47-T238 WeakPolarHBondContact CD2-OG1 3.46Å
48E59.9Low57Low125 Ų12576.2 Ų76.258%0.58444%0.439SS*.Hα-helixtrans-59.6-42.5-177.8-151.1167.8-163.800111.4Y44 T50 I51 N52Y44-E48 PolarHBondContact O-N 3.4Å; Y44-E48 VanDerWaalsContact O-N 3.09Å; E48-T50 VanDerWaalsContact C-N 3.33Å; E48-T50 PolarHBondContact O-N 3.28Å; E48-I51 PolarHBondContact O-N 3.2Å; E48-N52 WeakPolarHBondContact O-CB 3.38Å; E48-N52 PolarHBondContact O-N 2.96Å; E48-N52 PolarHBondContact O-ND2 3.48Å
49Q62.2Low57Low160 Ų16074.1 Ų74.175%0.74842%0.419SS*.Hα-helixtrans-64.7-36.7175.5-162.9168.529.900112.7L47 S53L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 2.96Å; Q49-S53 WeakPolarHBondContact O-CB 3.29Å; Q49-S53 PolarHBondContact O-N 3.32Å
50T58.6Low57.5Low38 Ų3874.9 Ų74.923%0.23342%0.422CS..Hα-helixtrans-73-44.8178.5-540000111.3S46 L47 E48 N52 S53 V54 L234 V235S46-T50 PolarHBondContact O-OG1 2.94Å; L47-T50 CarbonylContact O-C 3.58Å; L47-T50 PolarHBondContact O-N 3.26Å; E48-T50 VanDerWaalsContact C-N 3.33Å; E48-T50 PolarHBondContact O-N 3.28Å; T50-N52 VanDerWaalsContact C-N 3.33Å; T50-N52 PolarHBondContact O-N 2.83Å; T50-S53 WeakPolarHBondContact O-CB 3.5Å; T50-S53 PolarHBondContact O-N 3.46Å; T50-S53 VanDerWaalsContact O-N 3.1Å; T50-V54 VanDerWaalsContact O-CG2 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.39Å; T50-V54 PolarHBondContact O-N 2.86Å; T50-L234 HydrophobicContact CG2-CD2 4.42Å; T50-V235 HydrophobicContact CG2-CG2 3.76Å
51I60.7Low57.9Low57 Ų5777.7 Ų77.729%0.29242%0.422SS..Hα-helixtrans-59.7-45.5175.4-68.8163.9000109.9L47 E48 S53 V54 N55 V235L47-I51 HydrophobicContact CB-CD1 4.01Å; L47-I51 WeakPolarHBondContact O-CB 3.5Å; L47-I51 WeakPolarHBondContact O-CD1 3.49Å; L47-I51 WeakPolarHBondContact O-CG1 3.3Å; L47-I51 PolarHBondContact O-N 2.94Å; E48-I51 PolarHBondContact O-N 3.2Å; I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 3.35Å; I51-V54 PolarHBondContact O-N 3.38Å; I51-N55 PolarHBondContact O-N 3.28Å; I51-N55 PolarHBondContact O-ND2 3.26Å; I51-N55 VanDerWaalsContact O-ND2 3.16Å; I51-V235 HydrophobicContact CD1-CG1 4.26Å; I51-V235 HydrophobicContact CG1-CG1 3.75Å; I51-V235 HydrophobicContact CG1-CG2 3.87Å
52N63.5Low58.1Low100 Ų10080.3 Ų80.354%0.53543%0.431SS..Hα-helixtrans-65.1-33.4176.1-66.9-22.4000111.8E48 T50 N55E48-N52 WeakPolarHBondContact O-CB 3.38Å; E48-N52 PolarHBondContact O-N 2.96Å; E48-N52 PolarHBondContact O-ND2 3.48Å; T50-N52 VanDerWaalsContact C-N 3.33Å; T50-N52 PolarHBondContact O-N 2.83Å; N52-N55 PolarHBondContact O-N 3.48Å
53S64.2Low58.4Low42 Ų4280.3 Ų80.329%0.29442%0.416SS..Hα-helixtrans-70.1-36.6174.5-1720000113.3Q49 T50 I51 N55 T56 K231Q49-S53 WeakPolarHBondContact O-CB 3.29Å; Q49-S53 PolarHBondContact O-N 3.32Å; T50-S53 WeakPolarHBondContact O-CB 3.5Å; T50-S53 PolarHBondContact O-N 3.46Å; T50-S53 VanDerWaalsContact O-N 3.1Å; I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 3.35Å; S53-N55 PolarHBondContact O-N 3.44Å; S53-T56 PolarHBondContact O-N 2.93Å; S53-T56 PolarHBondContact O-OG1 3.42Å; S53-K231 PolarHBondContact OG-NZ 2.88Å
54V60.7Low58.6Low17 Ų1781.8 Ų81.810%0.10343%0.428CS..Hα-helixtrans-63.9-31.3176173.90000111.3T50 I51 T56 Y228 K231 S232 V235T50-V54 VanDerWaalsContact O-CG2 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.39Å; T50-V54 PolarHBondContact O-N 2.86Å; I51-V54 PolarHBondContact O-N 3.38Å; V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 3.41Å; V54-Y228 HydrophobicContact CG1-CD2 4.06Å; V54-Y228 HydrophobicContact CG1-CE2 3.45Å; V54-Y228 VanDerWaalsContact CG1-CE2 3.45Å; V54-K231 HydrophobicContact CG2-CB 3.47Å; V54-K231 VanDerWaalsContact CG2-CB 3.47Å; V54-K231 HydrophobicContact CG2-CD 4.38Å; V54-S232 WeakPolarHBondContact CG1-OG 3.44Å; V54-V235 HydrophobicContact CG2-CG2 4.48Å
55N57.6Low58.8Low90 Ų9085.8 Ų85.848%0.48144%0.443SS..THydrogen-bonded Turntrans-85.97.4-176.2-72.3-35.7000115.1I51 N52 S53 D57I51-N55 PolarHBondContact O-N 3.28Å; I51-N55 PolarHBondContact O-ND2 3.26Å; I51-N55 VanDerWaalsContact O-ND2 3.16Å; N52-N55 PolarHBondContact O-N 3.48Å; S53-N55 PolarHBondContact O-N 3.44Å; N55-D57 PolarHBondContact O-N 2.95Å
56T60.3Low58.9Low79 Ų7982.7 Ų82.749%0.48542%0.423SS..  trans-65.2123.8179.950.80000111.8S53 V54 A58 F59S53-T56 PolarHBondContact O-N 2.93Å; S53-T56 PolarHBondContact O-OG1 3.42Å; V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 3.41Å; T56-A58 PolarHBondContact O-N 3.26Å; T56-F59 PolarHBondContact O-N 3.16Å
57D55Low59.2Low112 Ų11281.6 Ų81.660%0.59941%0.413SS*.Hα-helixtrans-54.3-15.8-172.2-72.5-44.3000115.9N55 F59 K60 K61N55-D57 PolarHBondContact O-N 2.95Å; D57-F59 VanDerWaalsContact C-N 3.31Å; D57-F59 PolarHBondContact O-N 3.4Å; D57-K60 PolarHBondContact O-N 2.99Å; D57-K61 PolarHBondContact O-N 3.16Å
58A55.3Low59.3Low69 Ų6984.6 Ų84.657%0.5743%0.427SS*.Hα-helixtrans-59.1-42.6177.400000111.6T56 K61 E62T56-A58 PolarHBondContact O-N 3.26Å; A58-K61 PolarHBondContact O-N 3.02Å; A58-E62 PolarHBondContact O-N 3.48Å; A58-E62 VanDerWaalsContact O-N 3.15Å
59F53.7Low59.3Low41 Ų4181 Ų8118%0.1841%0.412CS..Hα-helixtrans-68.1-40.2-177.7-170-101.8000112.4T56 D57 Y63 R225 Y228T56-F59 PolarHBondContact O-N 3.16Å; D57-F59 VanDerWaalsContact C-N 3.31Å; D57-F59 PolarHBondContact O-N 3.4Å; F59-Y63 HydrophobicContact CZ-CD2 4.45Å; F59-Y63 WeakPolarHBondContact O-CB 3.28Å; F59-Y63 PolarHBondContact O-N 2.87Å; F59-R225 HydrophobicContact CE2-CB 4.41Å; F59-Y228 HydrophobicContact CD1-CD1 4.22Å; F59-Y228 AromaticContact CD1-CD2 3.59Å; F59-Y228 HydrophobicContact CD1-CD2 3.59Å; F59-Y228 HydrophobicContact CD1-CE1 4.49Å; F59-Y228 AromaticContact CD1-CE2 3.89Å; F59-Y228 HydrophobicContact CD1-CE2 3.89Å; F59-Y228 AromaticContact CD1-CG 3.77Å; F59-Y228 HydrophobicContact CD1-CG 3.77Å; F59-Y228 HydrophobicContact CD2-CD2 4.34Å; F59-Y228 HydrophobicContact CD2-CG 4.16Å; F59-Y228 AromaticContact CE1-CD1 3.56Å; F59-Y228 HydrophobicContact CE1-CD1 3.56Å; F59-Y228 AromaticContact CE1-CD2 3.82Å; F59-Y228 HydrophobicContact CE1-CD2 3.82Å; F59-Y228 AromaticContact CE1-CE1 3.91Å; F59-Y228 HydrophobicContact CE1-CE1 3.91Å; F59-Y228 HydrophobicContact CE1-CE2 4.14Å; F59-Y228 AromaticContact CE1-CG 3.51Å; F59-Y228 HydrophobicContact CE1-CG 3.51Å; F59-Y228 HydrophobicContact CE2-CD1 4.46Å; F59-Y228 AromaticContact CE2-CG 3.95Å; F59-Y228 HydrophobicContact CE2-CG 3.95Å; F59-Y228 AromaticContact CG-CD2 3.88Å; F59-Y228 HydrophobicContact CG-CD2 3.88Å; F59-Y228 HydrophobicContact CG-CG 4.09Å; F59-Y228 AromaticContact CZ-CD1 3.7Å; F59-Y228 HydrophobicContact CZ-CD1 3.7Å; F59-Y228 HydrophobicContact CZ-CD2 4.3Å; F59-Y228 HydrophobicContact CZ-CE1 4.46Å; F59-Y228 AromaticContact CZ-CG 3.61Å; F59-Y228 HydrophobicContact CZ-CG 3.61Å
60K57.5Low59.2Low132 Ų13278.5 Ų78.557%0.57440%0.4SS*.Hα-helixtrans-66.6-41179.3-74.6-178.5-179.4173.70111.7D57 T64D57-K60 PolarHBondContact O-N 2.99Å; K60-T64 VanDerWaalsContact O-CB 3.28Å; K60-T64 WeakPolarHBondContact O-CB 3.47Å; K60-T64 PolarHBondContact O-N 3.34Å; K60-T64 VanDerWaalsContact O-N 3.13Å; K60-T64 PolarHBondContact O-OG1 3.41Å
61K57.9Low59.2Low161 Ų16183.5 Ų83.570%0.741%0.414SS*.Hα-helixtrans-69.5-42.6-178.9-70.5-175.7-178.3178.90112.3D57 A58 Y65D57-K61 PolarHBondContact O-N 3.16Å; A58-K61 PolarHBondContact O-N 3.02Å; K61-Y65 PolarHBondContact O-N 2.76Å; K61-Y65 VanDerWaalsContact O-N 3.1Å
62E57.3Low58.9Low80 Ų8088 Ų8837%0.37443%0.434SS..Hα-helixtrans-75.9-39.3-176.8-161.4164.8-17200112.2A58 T64 Y65 D66 L224A58-E62 PolarHBondContact O-N 3.48Å; A58-E62 VanDerWaalsContact O-N 3.15Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 3.47Å; E62-Y65 PolarHBondContact O-N 3.05Å; E62-D66 PolarHBondContact O-N 3.09Å; E62-L224 WeakPolarHBondContact OE2-CD1 3.31Å
63Y58.9Low58.5Low111 Ų11189 Ų8944%0.43544%0.438SS..Hα-helixtrans-63.5-37.8172.9-171.6-97.5000112.3F59 T67F59-Y63 HydrophobicContact CZ-CD2 4.45Å; F59-Y63 WeakPolarHBondContact O-CB 3.28Å; F59-Y63 PolarHBondContact O-N 2.87Å; Y63-T67 WeakPolarHBondContact CE1-OG1 3.5Å; Y63-T67 VanDerWaalsContact O-CB 3.22Å; Y63-T67 WeakPolarHBondContact O-CB 3.16Å; Y63-T67 PolarHBondContact O-N 3.3Å; Y63-T67 PolarHBondContact O-OG1 3.44Å
64T59.6Low57.5Low81 Ų8192 Ų9250%0.49745%0.45SS..Hα-helixtrans-66-41.1175.9-56.40000111K60 E62 E68K60-T64 VanDerWaalsContact O-CB 3.28Å; K60-T64 WeakPolarHBondContact O-CB 3.47Å; K60-T64 PolarHBondContact O-N 3.34Å; K60-T64 VanDerWaalsContact O-N 3.13Å; K60-T64 PolarHBondContact O-OG1 3.41Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 3.47Å; T64-E68 HydrophobicContact CG2-CG 4.36Å; T64-E68 WeakPolarHBondContact O-CB 3.35Å; T64-E68 VanDerWaalsContact O-CG 3.26Å; T64-E68 WeakPolarHBondContact O-CG 3.44Å; T64-E68 PolarHBondContact O-N 2.86Å
65Y60.2Low56.7Low148 Ų14896.7 Ų96.758%0.5848%0.481SS*.Hα-helixtrans-65.3-45.5178.4-174.6-93.3000112.5K61 E62 E68 L69K61-Y65 PolarHBondContact O-N 2.76Å; K61-Y65 VanDerWaalsContact O-N 3.1Å; E62-Y65 PolarHBondContact O-N 3.05Å; Y65-E68 PolarHBondContact O-N 2.85Å; Y65-L69 HydrophobicContact CE1-CD2 4.42Å; Y65-L69 VanDerWaalsContact O-CB 3.29Å; Y65-L69 WeakPolarHBondContact O-CB 3.4Å; Y65-L69 PolarHBondContact O-N 3.38Å
66D59.4Low56.1Low14 Ų1496.3 Ų96.38%0.07549%0.486CS..Hα-helixtrans-69.7-38178.3-87.8-17.5000112.3E62 L69 Q70 T221E62-D66 PolarHBondContact O-N 3.09Å; D66-L69 PolarHBondContact O-N 3.4Å; D66-Q70 WeakPolarHBondContact O-CB 3.5Å; D66-Q70 PolarHBondContact O-N 3.2Å; D66-Q70 PolarHBondContact O-OE1 3.13Å; D66-Q70 VanDerWaalsContact O-OE1 3.05Å; D66-T221 WeakPolarHBondContact OD2-CB 3.45Å; D66-T221 WeakPolarHBondContact OD2-CG2 3.47Å; D66-T221 PolarHBondContact OD2-OG1 3.24Å
67T64.7Low55Low47 Ų47100.4 Ų100.429%0.28850%0.504SS..Hα-helixtrans-63.6-42.5175.3-57.10000111.3Y63 Q70 R71Y63-T67 WeakPolarHBondContact CE1-OG1 3.5Å; Y63-T67 VanDerWaalsContact O-CB 3.22Å; Y63-T67 WeakPolarHBondContact O-CB 3.16Å; Y63-T67 PolarHBondContact O-N 3.3Å; Y63-T67 PolarHBondContact O-OG1 3.44Å; T67-Q70 PolarHBondContact O-N 3.16Å; T67-R71 WeakPolarHBondContact O-CB 3.22Å; T67-R71 WeakPolarHBondContact O-CG 3.32Å; T67-R71 PolarHBondContact O-N 3.11Å
68E57.8Low54.5Low73 Ų7399.5 Ų99.534%0.34150%0.502SS..Hα-helixtrans-70.2-36.4176.8-72-63.5125.200111.9T64 Y65 R71 Q72T64-E68 HydrophobicContact CG2-CG 4.36Å; T64-E68 WeakPolarHBondContact O-CB 3.35Å; T64-E68 VanDerWaalsContact O-CG 3.26Å; T64-E68 WeakPolarHBondContact O-CG 3.44Å; T64-E68 PolarHBondContact O-N 2.86Å; Y65-E68 PolarHBondContact O-N 2.85Å; E68-R71 WeakPolarHBondContact O-CB 3.43Å; E68-R71 PolarHBondContact O-N 3.28Å; E68-R71 IonicContact OE1-CZ 3.55Å; E68-R71 IonicContact OE1-NH1 2.78Å; E68-R71 PolarHBondContact OE1-NH1 2.85Å; E68-R71 IonicContact OE1-NH2 3.77Å; E68-R71 IonicContact OE2-NH2 3.87Å; E68-Q72 VanDerWaalsContact O-CG 3.32Å; E68-Q72 WeakPolarHBondContact O-CG 3.42Å; E68-Q72 PolarHBondContact O-N 2.9Å
69L60.1Low53.7Low50 Ų50103.4 Ų103.426%0.26251%0.513SS..Hα-helixtrans-66.8-39.5173.1-167.371.8000111.5Y65 D66 Q72 I73Y65-L69 HydrophobicContact CE1-CD2 4.42Å; Y65-L69 VanDerWaalsContact O-CB 3.29Å; Y65-L69 WeakPolarHBondContact O-CB 3.4Å; Y65-L69 PolarHBondContact O-N 3.38Å; D66-L69 PolarHBondContact O-N 3.4Å; L69-Q72 PolarHBondContact O-N 3.05Å; L69-I73 HydrophobicContact CG-CD1 4.05Å; L69-I73 WeakPolarHBondContact O-CB 3.39Å; L69-I73 WeakPolarHBondContact O-CD1 3.49Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.19Å; L69-I73 PolarHBondContact O-N 3.47Å; L69-I73 VanDerWaalsContact O-N 3.09Å
70Q59.6Low53.1Low106 Ų106107.5 Ų107.550%0.49554%0.537SS..Hα-helixtrans-64.3-40.4171.5-1039660.100111.8D66 T67 Q72 I73 L74D66-Q70 WeakPolarHBondContact O-CB 3.5Å; D66-Q70 PolarHBondContact O-N 3.2Å; D66-Q70 PolarHBondContact O-OE1 3.13Å; D66-Q70 VanDerWaalsContact O-OE1 3.05Å; T67-Q70 PolarHBondContact O-N 3.16Å; Q70-Q72 VanDerWaalsContact C-N 3.31Å; Q70-Q72 PolarHBondContact O-N 3.43Å; Q70-I73 PolarHBondContact O-N 3.01Å; Q70-L74 WeakPolarHBondContact O-CB 3.4Å; Q70-L74 PolarHBondContact O-N 2.92Å
71R59.3Low52.2Low143 Ų143108.3 Ų108.354%0.5455%0.548SS..Hα-helixtrans-64.5-31.3174.6-78.1-100.9-55.1-62.6-15.1113.2T67 E68T67-R71 WeakPolarHBondContact O-CB 3.22Å; T67-R71 WeakPolarHBondContact O-CG 3.32Å; T67-R71 PolarHBondContact O-N 3.11Å; E68-R71 WeakPolarHBondContact O-CB 3.43Å; E68-R71 PolarHBondContact O-N 3.28Å; E68-R71 IonicContact OE1-CZ 3.55Å; E68-R71 IonicContact OE1-NH1 2.78Å; E68-R71 PolarHBondContact OE1-NH1 2.85Å; E68-R71 IonicContact OE1-NH2 3.77Å; E68-R71 IonicContact OE2-NH2 3.87Å
72Q54.7Low51.3Low152 Ų152110.6 Ų110.671%0.7156%0.558SS**Hα-helixtrans-78.5-26.2175.2-73.6174.715.200112.7E68 L69 Q70E68-Q72 VanDerWaalsContact O-CG 3.32Å; E68-Q72 WeakPolarHBondContact O-CG 3.42Å; E68-Q72 PolarHBondContact O-N 2.9Å; L69-Q72 PolarHBondContact O-N 3.05Å; Q70-Q72 VanDerWaalsContact C-N 3.31Å; Q70-Q72 PolarHBondContact O-N 3.43Å
73I55Low50.2Low120 Ų120109.5 Ų109.562%0.61557%0.568SS**Hα-helixtrans-89.8-28179.6-66.4167.4000112L69 Q70L69-I73 HydrophobicContact CG-CD1 4.05Å; L69-I73 WeakPolarHBondContact O-CB 3.39Å; L69-I73 WeakPolarHBondContact O-CD1 3.49Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.19Å; L69-I73 PolarHBondContact O-N 3.47Å; L69-I73 VanDerWaalsContact O-N 3.09Å; Q70-I73 PolarHBondContact O-N 3.01Å
74L42.5Very low49.3Very low105 Ų105111 Ų11155%0.5558%0.583SS.*SBendtrans-106.1116.3177.2-63.7172.2000109.5Q70 S76Q70-L74 WeakPolarHBondContact O-CB 3.4Å; Q70-L74 PolarHBondContact O-N 2.92Å; L74-S76 PolarHBondContact O-N 3.46Å; L74-S76 VanDerWaalsContact O-N 3.08Å
75P45.2Very low48.3Very low116 Ų116113.8 Ų113.875%0.75359%0.59SS**  trans-54.2122.3166.6-17.629000107.8L77P75-L77 PolarHBondContact O-N 3.01Å
76S43.2Very low47.4Very low83 Ų83114.4 Ų114.458%0.5860%0.598SS**  trans-54107.2179.244.30000109.6L74 T78L74-S76 PolarHBondContact O-N 3.46Å; L74-S76 VanDerWaalsContact O-N 3.08Å; S76-T78 PolarHBondContact O-N 2.87Å
77L38.5Very low46.3Very low164 Ų164119.3 Ų119.386%0.85963%0.633SS**  trans-69.678.2161-63179.8000106.8P75 L79P75-L77 PolarHBondContact O-N 3.01Å; L77-L79 PolarHBondContact O-N 3.24Å; L77-L79 VanDerWaalsContact O-N 3.07Å
78T43.9Very low45.1Very low93 Ų93122.1 Ų122.157%0.57166%0.661SS**  trans-66.8105.4166.5520000106.6S76 N80S76-T78 PolarHBondContact O-N 2.87Å; T78-N80 PolarHBondContact O-N 3.25Å
79L39.6Very low44.3Very low151 Ų151123.9 Ų123.979%0.79168%0.681SS**  trans-64.772.1159.7-92113.5000108.4L77L77-L79 PolarHBondContact O-N 3.24Å; L77-L79 VanDerWaalsContact O-N 3.07Å
80N40Very low43.5Very low127 Ų127127.3 Ų127.368%0.67971%0.709SS**  trans-114109.5166-75.1-4.2000105.8T78T78-N80 PolarHBondContact O-N 3.25Å
81N38.2Very low42.8Very low150 Ų150128 Ų12880%0.80272%0.723SS**  trans136.956.8157.6-71.223.8000112.6
82F39Very low42.2Very low209 Ų209129 Ų12992%0.91774%0.738SS**  trans-103.7110.1143.9-80.1-79.3000107.2
83G35.7Very low41.9Very low56 Ų56128.8 Ų128.858%0.57774%0.742SS**  trans14976.7-172.500000106.8
84L40Very low41.7Very low144 Ų144129.2 Ų129.275%0.75475%0.752SS**  51.4130.1101.7-75.4162000112
85H38.4Very low42.4Very low139 Ų139132.5 Ų132.564%0.64477%0.767SS**  trans114.3108.3146.6-56.1-66.2000118.4
86H41.4Very low43.5Very low161 Ų161131.4 Ų131.475%0.74576%0.76SS**  trans87.789144.4-36.1-50.5000120.9
87S35.5Very low44.4Very low117 Ų117133.2 Ų133.282%0.81877%0.77SS**  21.6114.5128.750.80000120.7
88A39.5Very low44.9Very low106 Ų106132.1 Ų132.188%0.87676%0.763SS**  trans-166.3138.7132.600000111.3
89S41.4Very low45.2Very low109 Ų109133.6 Ų133.676%0.76277%0.772SS**  trans-70.8144.2-167.649.20000117.3
90S43.4Very low45.7Very low122 Ų122136.1 Ų136.185%0.85377%0.773SS**  trans-164.5124.9139.1-80.80000110.4
91P43.5Very low46.3Very low120 Ų120134.8 Ų134.878%0.77977%0.774SS**  trans-107.9130.8-173.336-25.5000112.6
92L46.9Very low47.1Very low164 Ų164133.8 Ų133.886%0.85978%0.775SS**  trans-147.3111.5157.4-76.5179.7000111.4
93N48.2Very low47.3Very low148 Ų148127.3 Ų127.379%0.79177%0.767SS**  trans59.2112.9155.3-59.7-21.9000121.2
94P51.5Low47.8Very low129 Ų129131.5 Ų131.584%0.83878%0.781SS**PPolyproline II helixtrans-89124.716026.5-13.8000111.3
95M56.6Low47.9Very low175 Ų175129.8 Ų129.886%0.86278%0.78SS**PPolyproline II helixtrans-72.6143.1163.3-106.7-90111.800109.7
96P68.8Low48.5Very low93 Ų93128.5 Ų128.560%0.60479%0.787SS**PPolyproline II helixtrans-77150.7177.232.8-32.2000111I98P96-I98 PolarHBondContact O-N 3.27Å
97P62.3Low48.8Very low121 Ų121128.6 Ų128.679%0.78679%0.787SS**PPolyproline II helixtrans-71.1129.5175.428.9-31.4000110.3T99P97-T99 PolarHBondContact O-N 3.29Å
98I49.6Very low50Low141 Ų141128.8 Ų128.872%0.72379%0.786SS**  trans-70.9110.4171.2-59.3173.2000108.1P96 Y100P96-I98 PolarHBondContact O-N 3.27Å; I98-Y100 HydrophobicContact CG2-CD2 3.64Å; I98-Y100 HydrophobicContact CG2-CE2 3.49Å; I98-Y100 VanDerWaalsContact CG2-CE2 3.49Å; I98-Y100 PolarHBondContact O-N 3.39Å
99T49.8Very low50.1Low123 Ų123134 Ų13476%0.75578%0.784SS**  trans-70.7111.2166.9-57.60000109.3P97P97-T99 PolarHBondContact O-N 3.29Å
100Y49.3Very low50.3Low204 Ų204136.6 Ų136.680%0.879%0.789SS**  trans-95.3111.6163.2-89.8-89.2000109.2I98I98-Y100 HydrophobicContact CG2-CD2 3.64Å; I98-Y100 HydrophobicContact CG2-CE2 3.49Å; I98-Y100 VanDerWaalsContact CG2-CE2 3.49Å; I98-Y100 PolarHBondContact O-N 3.39Å
101S53.6Low50.2Low100 Ų100137.8 Ų137.870%0.69978%0.781SS**  trans-65.6137.9166.5-64.40000110.2G103S101-G103 PolarHBondContact O-N 3.44Å
102P55.1Low50.1Low129 Ų129139.4 Ų139.484%0.83878%0.778SS**  trans-74.1100.4177.628.9-29.9000109.6V104P102-V104 PolarHBondContact O-N 3.42Å
103G42.9Very low49.5Very low72 Ų72136.1 Ų136.174%0.74277%0.765SS**  trans-68115.3167.900000110.2S101 C105S101-G103 PolarHBondContact O-N 3.44Å; G103-C105 PolarHBondContact O-N 3.27Å
104V45.8Very low49.3Very low145 Ų145136.8 Ų136.888%0.87976%0.761SS**  trans-53.3111.3169.2-76.40000110.8P102P102-V104 PolarHBondContact O-N 3.42Å
105C43.6Very low48.9Very low107 Ų107135.3 Ų135.372%0.72375%0.754SS**  trans-104.5112.6166.3-155.60000108.2G103 H107G103-C105 PolarHBondContact O-N 3.27Å; C105-H107 PolarHBondContact O-N 3.41Å
106S49.3Very low47.9Very low113 Ų113135.2 Ų135.279%0.7976%0.757SS**  trans-66.2109.6174.7-53.10000109.8
107H48.2Very low46.6Very low162 Ų162135.5 Ų135.575%0.7576%0.76SS**PPolyproline II helixtrans-88.4124.1164.6-80.8-67.8000109.4C105 Y109C105-H107 PolarHBondContact O-N 3.41Å; H107-Y109 PolarHBondContact O-N 3.25Å
108P61.5Low45.7Very low122 Ų122137.3 Ų137.379%0.79276%0.764SS**PPolyproline II helixtrans-73.4116.416627.7-28.5000109.4L110P108-L110 PolarHBondContact O-N 3.08Å
109Y40.8Very low45.2Very low215 Ų215136.3 Ų136.384%0.84377%0.769SS**PPolyproline II helixtrans-57.6121.1163.5-95.7-104.7000109.7H107H107-Y109 PolarHBondContact O-N 3.25Å
110L46.2Very low45.2Very low164 Ų164136.5 Ų136.586%0.85977%0.773SS**  trans-123.695.7151.6-97.5172.6000108.5P108P108-L110 PolarHBondContact O-N 3.08Å
111H40.6Very low44.5Very low147 Ų147132.7 Ų132.768%0.68178%0.776SS**  trans-73.3113.5165.7-168.3-102.8000107.4
112Q40.9Very low44.1Very low153 Ų153132.2 Ų132.272%0.71578%0.778SS**  trans-13689.3168.2-150.3161.86200110.4F114Q112-F114 HydrophobicContact CG-CD2 3.63Å; Q112-F114 HydrophobicContact CG-CE2 3.35Å; Q112-F114 HydrophobicContact CG-CZ 4.43Å
113T35.5Very low43.3Very low96 Ų96130.6 Ų130.659%0.58977%0.769SS**  trans-61.7120.5158.845.30000109.4
114F44.3Very low43.8Very low162 Ų162134.6 Ų134.671%0.71177%0.774SS**  trans-146.299.5153.4-74.6-62.4000110.5Q112Q112-F114 HydrophobicContact CG-CD2 3.63Å; Q112-F114 HydrophobicContact CG-CE2 3.35Å; Q112-F114 HydrophobicContact CG-CZ 4.43Å
115S43Very low43.6Very low98 Ų98134.7 Ų134.769%0.68577%0.769SS**  20.9123.6129.740.80000119
116N34.3Very low44.1Very low173 Ų173135.7 Ų135.793%0.92577%0.772SS**  trans-52.4126.3158.2-58.6-46.1000111.1
117S43.1Very low43.7Very low98 Ų98137.6 Ų137.669%0.68577%0.768SS**  trans-162.3121.3156.354.10000110.5
118D42.7Very low43.5Very low160 Ų160137 Ų13786%0.85677%0.771SS**  trans67.9123.3145.3-60.7-31.6000122.3
119S39.5Very low42.5Very low120 Ų120137.5 Ų137.584%0.83976%0.762SS**  trans-75.2148.2164.6-540000110.6
120P48.4Very low43.1Very low127 Ų127135.8 Ų135.883%0.82576%0.764SS**  trans-114.4129.8149.430.1-17.6000111.4
121S34.7Very low42.9Very low123 Ų123135.5 Ų135.586%0.8676%0.762SS**  trans-71.2130.4166.9-172.80000110.3
122A46.6Very low43.4Very low90 Ų90134.1 Ų134.174%0.74477%0.767SS**  trans-160.197.3159.400000106.5
123S38.2Very low43.8Very low95 Ų95132.6 Ų132.666%0.66477%0.771SS**  4798.280.4-166.60000111.9
124N52.4Low43.9Very low156 Ų156134.7 Ų134.783%0.83478%0.778SS**  trans-160.5103.6144.2-85.8-34.7000108.2
125D41.4Very low44.2Very low147 Ų147134.9 Ų134.979%0.78679%0.785SS**  trans-55.9126.4160.8-72.7-69.4000110
126V54.5Low44.4Very low129 Ų129138.8 Ų138.878%0.78279%0.79SS**  trans-134.6104.1155.4-177.40000106.4D128V126-D128 PolarHBondContact O-N 3.46Å
127Q40.4Very low45Very low152 Ų152142.2 Ų142.271%0.7179%0.79SS**  trans-54.4126162.2-85.4118.5-17.600109.1
128D45.1Very low45.4Very low149 Ų149149.5 Ų149.580%0.79780%0.802SS**  trans-144132.8150.2-130.8-14000110.8V126V126-D128 PolarHBondContact O-N 3.46Å
129H40.9Very low45.3Very low134 Ų134148.1 Ų148.162%0.6280%0.795SS**  trans-99.5117-161-34.3-81000107.3
130M52.4Low45.5Very low179 Ų179153.4 Ų153.488%0.88280%0.796SS**  trans-140.6121.1161.9-88.2-64.8101.100111.2
131I42.9Very low45.1Very low158 Ų158150.8 Ų150.881%0.8179%0.793SS**  trans-73128.8-177.4-66.9157.2000108.5
132C50.7Low45.5Very low118 Ų118157.1 Ų157.180%0.79780%0.798SS**  trans-137.5138.1161.2-82.40000108.8
133P48.1Very low45.3Very low121 Ų121158.7 Ų158.779%0.78680%0.803SS**  trans-80.3150.6-159.132.1-34.4000113.8
134D38.8Very low45.6Very low139 Ų139158.9 Ų158.974%0.74380%0.804SS**  trans-47.1123.3179.6-80.1-55.5000115.5
135I50.8Low45Very low166 Ų166162.8 Ų162.885%0.85181%0.807SS**  trans-123.6100.4143.8-59179.5000108.1R137I135-R137 PolarHBondContact O-N 2.92Å
136K46.8Very low45.5Very low180 Ų180162.7 Ų162.778%0.78381%0.806SS**  trans-58.7110.5-178-64.6169.8179.4174.40111.7
137R47.1Very low44.6Very low246 Ų246163.9 Ų163.993%0.92881%0.808SS**  trans-122.6129.7150.3-83.1-172.6161.9165.7-4.3110.2I135 N139I135-R137 PolarHBondContact O-N 2.92Å; R137-N139 PolarHBondContact O-N 2.95Å
138R50.4Low44.8Very low251 Ų251165.7 Ų165.795%0.94781%0.814SS**  trans-62.6118.6-160.3-74.4160.774.3136.9-5.1114.3
139N42.1Very low44.3Very low130 Ų130165 Ų16570%0.69582%0.815SS**  trans5.3129.1132.3-97.3-18.2000121.3R137R137-N139 PolarHBondContact O-N 2.95Å
140R43Very low44.6Very low231 Ų231163.8 Ų163.887%0.87282%0.822SS**  114125.5121.4-78.4166.3-172.1166.30.5118.7
141G40Very low44.1Very low73 Ų73160.4 Ų160.475%0.75382%0.816SS**  trans143.765.6157.600000113
142R42.3Very low44.2Very low256 Ų256158.3 Ų158.397%0.96682%0.815SS**  49.883.3101.1-156.7179.9-166-167.43.5113.3
143S42.5Very low43.9Very low123 Ų123158.6 Ų158.686%0.8682%0.815SS**  trans-88.8111.2171.1-144.90000110
144S46Very low43.4Very low98 Ų98156.4 Ų156.469%0.68582%0.815SS**  trans-68.7130.3167.647.10000110
145R38Very low44.1Very low239 Ų239156.5 Ų156.590%0.90281%0.814SS**  trans-68.3124.3168.9-63173.8-178.7166.1-1.3108.4
146L52.9Low44.1Very low145 Ų145156 Ų15676%0.75981%0.813SS**  trans-133.1113.4161.5-72.9176.2000108.5
147N36.4Very low44.4Very low153 Ų153154 Ų15482%0.81881%0.811SS**  trans-67.6132.2163.9-71-20.2000108.2
148F42.7Very low45.2Very low190 Ų190151.1 Ų151.183%0.83381%0.805SS**  trans-130.4113.5157-102.2-85000109.2
149T35.5Very low45.9Very low134 Ų134144.3 Ų144.382%0.82279%0.794SS**  trans-80125.916548.80000108.3
150S46.9Very low46.5Very low109 Ų109143.9 Ų143.976%0.76280%0.795SS**  trans-152.7109.2157.958.20000110
151S42.4Very low47Very low109 Ų109138 Ų13876%0.76279%0.79SS**  trans-26.8127.8162.140.80000118.9
152S44.3Very low47.5Very low114 Ų114141.8 Ų141.880%0.79779%0.792SS**  trans60.8157.3133.1-63.80000122
153P45.8Very low47.9Very low123 Ų123134 Ų13480%0.79978%0.777SS**  cis-137157.6-21.933.2-13.3000115.6
154G36.2Very low48.6Very low75 Ų75134.7 Ų134.777%0.77378%0.776SS**  trans71.882.6138.300000120.4
155I54.3Low48.8Very low141 Ų141138.3 Ų138.372%0.72378%0.779SS**  trans-137.6112149.9-56.3178.1000107.6D157I155-D157 WeakPolarHBondContact CG2-OD2 3.44Å; I155-D157 PolarHBondContact O-N 3.1Å
156D49.9Very low49.1Very low157 Ų157133.8 Ų133.884%0.8477%0.773SS**  trans-73.570176.5-71.6-59.6000111.3K158D156-K158 VanDerWaalsContact C-N 3.34Å; D156-K158 PolarHBondContact O-N 2.99Å; D156-K158 VanDerWaalsContact O-N 3.08Å
157D53.3Low49.2Very low138 Ų138131.6 Ų131.674%0.73877%0.77SS**  trans-83.980.8171.1-73-37.6000110I155I155-D157 WeakPolarHBondContact CG2-OD2 3.44Å; I155-D157 PolarHBondContact O-N 3.1Å
158K65.3Low49.5Very low185 Ų185133.4 Ų133.480%0.80477%0.773SS**  trans-61123.2166-100.5152.1178.4159.10108.8D156 V160D156-K158 VanDerWaalsContact C-N 3.34Å; D156-K158 PolarHBondContact O-N 2.99Å; D156-K158 VanDerWaalsContact O-N 3.08Å; K158-V160 PolarHBondContact O-N 3.17Å; K158-V160 VanDerWaalsContact O-N 3.14Å
159P64.1Low50Low108 Ų108131.3 Ų131.370%0.70177%0.769SS**  trans-63.4122.2173.726.4-32.4000108.3S161P159-S161 VanDerWaalsContact C-N 3.33Å; P159-S161 PolarHBondContact O-N 3.07Å
160V55.9Low50.3Low120 Ų120130.6 Ų130.673%0.72777%0.77SS**  trans-55100.6167140.30000107.4K158 L162K158-V160 PolarHBondContact O-N 3.17Å; K158-V160 VanDerWaalsContact O-N 3.14Å; V160-L162 VanDerWaalsContact C-N 3.34Å; V160-L162 HydrophobicContact CG1-CD1 4.4Å; V160-L162 HydrophobicContact CG1-CD2 3.7Å; V160-L162 HydrophobicContact CG1-CG 3.65Å; V160-L162 PolarHBondContact O-N 3.43Å
161S51.5Low50.4Low108 Ų108130.8 Ų130.876%0.75577%0.771SS**  trans-73.592.1171.6-79.20000107.5P159 S163P159-S161 VanDerWaalsContact C-N 3.33Å; P159-S161 PolarHBondContact O-N 3.07Å; S161-S163 PolarHBondContact O-N 3.11Å
162L50.8Low50.6Low152 Ų152130.3 Ų130.380%0.79677%0.768SS**  trans-71.273.2165.7-64.1175.3000108.7V160 T164V160-L162 VanDerWaalsContact C-N 3.34Å; V160-L162 HydrophobicContact CG1-CD1 4.4Å; V160-L162 HydrophobicContact CG1-CD2 3.7Å; V160-L162 HydrophobicContact CG1-CG 3.65Å; V160-L162 PolarHBondContact O-N 3.43Å; L162-T164 PolarHBondContact O-N 3.05Å
163S50.6Low50.4Low94 Ų94132.2 Ų132.266%0.65777%0.769SS**  trans-77.594.2164.9-177.40000107.2S161 K165S161-S163 PolarHBondContact O-N 3.11Å; S163-K165 PolarHBondContact O-N 3.23Å
164T58.2Low50.3Low136 Ų136131.9 Ų131.983%0.83477%0.768SS**  trans-69.180.4157.935.80000107.7L162 D166L162-T164 PolarHBondContact O-N 3.05Å; T164-D166 VanDerWaalsContact C-N 3.32Å; T164-D166 PolarHBondContact O-N 2.97Å
165K50.1Low50.8Low175 Ų175136.6 Ų136.676%0.76178%0.776SS**  trans-84.680.5166.6-173.4-179.3-173.8-178.10105.9S163S163-K165 PolarHBondContact O-N 3.23Å
166D43.9Very low50.7Low143 Ų143134.9 Ų134.977%0.76578%0.777SS**  trans-175.6106.1161-89.5-30.3000110.2T164T164-D166 VanDerWaalsContact C-N 3.32Å; T164-D166 PolarHBondContact O-N 2.97Å
167S54.8Low50.4Low100 Ų100134.7 Ų134.770%0.69978%0.775SS**  trans-178.667.5150.9-75.70000106.8I169S167-I169 PolarHBondContact O-N 3.24Å
168Q44Very low49.7Very low191 Ų191134.4 Ų134.489%0.89378%0.783SS**  trans-72.982.7161.5-56.1-174.617.400106.4
169I53.3Low49.2Very low146 Ų146130.1 Ų130.175%0.74978%0.776SS**  trans-103.7108.8167.510.2170.4000106.6S167 S171S167-I169 PolarHBondContact O-N 3.24Å; I169-S171 PolarHBondContact O-N 2.78Å
170S40.6Very low48.6Very low118 Ų118130.1 Ų130.183%0.82577%0.774SS**  trans-46.8113.9176.5-53.70000112.2
171S49.7Very low48.2Very low113 Ų113131.4 Ų131.479%0.7978%0.782SS**  trans-120.779.2147.854.50000107.8I169 D173I169-S171 PolarHBondContact O-N 2.78Å; S171-D173 PolarHBondContact O-N 3.04Å
172S45.7Very low48.2Very low99 Ų99132.2 Ų132.269%0.69278%0.782SS**  trans-57.9113.5158.5480000107.8
173D40.7Very low48Very low154 Ų154137.3 Ų137.382%0.82479%0.791SS**  trans165.476.4145.9-78.2-20.8000109.4S171S171-D173 PolarHBondContact O-N 3.04Å
174C44.7Very low48.1Very low117 Ų117137.6 Ų137.679%0.79179%0.793SS**  trans-143.868.3160.459.80000110.5S176C174-S176 VanDerWaalsContact C-N 3.33Å; C174-S176 PolarHBondContact O-N 2.94Å
175N45.5Very low47.8Very low173 Ų173137.1 Ų137.193%0.92580%0.796SS**  trans-68.895.3157.7-69.7-38.1000107.7
176S52.4Low48.1Very low106 Ų106137 Ų13774%0.74180%0.798SS**  trans-143.999.9163.5-178.70000107.3C174 C178C174-S176 VanDerWaalsContact C-N 3.33Å; C174-S176 PolarHBondContact O-N 2.94Å; S176-C178 PolarHBondContact O-N 3.11Å
177D44.3Very low48.4Very low152 Ų152140.4 Ų140.481%0.81381%0.806SS**  trans-22.1109.9174.2-64.9-48000114.3S179D177-S179 PolarHBondContact O-N 3.13Å
178C39.1Very low48.4Very low133 Ų133142.4 Ų142.490%0.89981%0.806SS**  trans-89.379.8166.7-178.70000108.1S176 T180S176-C178 PolarHBondContact O-N 3.11Å; C178-T180 PolarHBondContact O-N 2.63Å
179S53.4Low49.2Very low95 Ų95141.3 Ų141.366%0.66480%0.798SS**  trans-84.5103.6169.6-13.10000108.8D177D177-S179 PolarHBondContact O-N 3.13Å
180T52.4Low49.5Very low107 Ų107140.8 Ų140.866%0.65680%0.804SS**  trans47101.1135.254.70000117.9C178 T182C178-T180 PolarHBondContact O-N 2.63Å; T180-T182 PolarHBondContact O-N 3.43Å
181V47.5Very low50.4Low148 Ų148139.8 Ų139.890%0.89780%0.797SS**  trans-16.2109.4136.9-86.30000114.7
182T51.9Low51Low124 Ų124139.3 Ų139.376%0.76179%0.786SS**  trans-136.8114.4149.652.80000109.8T180 S184T180-T182 PolarHBondContact O-N 3.43Å; T182-S184 PolarHBondContact O-N 2.79Å
183R45.1Very low52.4Low259 Ų259140.9 Ų140.998%0.97778%0.78SS**  trans-52.4118.2166.3-74.9161.2135.4-179.2-5.7110.1
184S54Low54.5Low100 Ų100138.5 Ų138.570%0.69977%0.768SS**  trans-146.9103.9151.350.20000109.3T182 E186T182-S184 PolarHBondContact O-N 2.79Å; S184-E186 PolarHBondContact O-N 2.8Å; S184-E186 VanDerWaalsContact O-N 3.1Å
185S50.8Low56.7Low127 Ų127138.9 Ų138.989%0.88876%0.762SS**  trans-72.486.8172.852.10000109.5
186E56.6Low58.8Low173 Ų173140.9 Ų140.981%0.80876%0.756SS**  trans-113.9131.7163.6-82.9-177.5165.300109.8S184 M188S184-E186 PolarHBondContact O-N 2.8Å; S184-E186 VanDerWaalsContact O-N 3.1Å; E186-M188 PolarHBondContact O-N 3.36Å
187K50Low60.8Low213 Ų213141.4 Ų141.493%0.92674%0.743SS**  trans-64.887.2-169.9-59.2169.7-177.1176.60109.5K189K187-K189 PolarHBondContact O-N 3.31Å
188M55.8Low63Low143 Ų143137.6 Ų137.670%0.70472%0.721SS**  trans-65.6120.2171.6-80.3-179.188.800109.2E186E186-M188 PolarHBondContact O-N 3.36Å
189K60.6Low65.7Low167 Ų167136.7 Ų136.773%0.72670%0.704SS**  trans-51.3148173.1-69.7173.4178.4176.70110.4K187 S191K187-K189 PolarHBondContact O-N 3.31Å; K189-S191 PolarHBondContact O-N 3.44Å
190P59.1Low67.7Low136 Ų136141.4 Ų141.488%0.88371%0.707SS**THydrogen-bonded Turntrans-67.55.8-171.625.7-33.7000116.2
191S59.8Low69.8Low97 Ų97142 Ų14268%0.67870%0.698SS**THydrogen-bonded Turntrans-100.5-33.3-171.4169.70000114.6K189 K193K189-S191 PolarHBondContact O-N 3.44Å; S191-K193 PolarHBondContact O-N 2.7Å
192D61.5Low72.2Confident102 Ų102140.1 Ų140.155%0.54568%0.682SS.*  trans-10960.5-162-55.5-22.4000111D194D192-D194 PolarHBondContact O-N 3.46Å
193K74.9Confident74.3Confident132 Ų132141.5 Ų141.557%0.57468%0.677SS**  trans-73.2113.1165.2-75.2171.6-179.5164.80107.5S191 Y197 I198S191-K193 PolarHBondContact O-N 2.7Å; K193-Y197 HydrophobicContact CB-CD1 4.05Å; K193-Y197 HydrophobicContact CD-CD1 4.06Å; K193-Y197 HydrophobicContact CD-CE1 3.84Å; K193-Y197 HydrophobicContact CG-CD1 4.07Å; K193-Y197 HydrophobicContact CG-CE1 4.23Å; K193-I198 HydrophobicContact CB-CD1 4.26Å; K193-I198 HydrophobicContact CB-CG1 4.06Å; K193-I198 WeakPolarHBondContact O-CD1 3.42Å
194D84.9Confident76.8Confident105 Ų105133.2 Ų133.256%0.56165%0.653SS**  trans-48.8140.4174.2-62.4-26.7000111.7D192 R196 Y197 I198D192-D194 PolarHBondContact O-N 3.46Å; D194-R196 PolarHBondContact O-N 3.21Å; D194-Y197 WeakPolarHBondContact O-CA 3.08Å; D194-Y197 WeakPolarHBondContact O-CB 3.26Å; D194-Y197 PolarHBondContact O-N 3.44Å; D194-I198 PolarHBondContact O-N 3.46Å; D194-I198 VanDerWaalsContact O-N 3.14Å
195D90.5Very high78.9Confident124 Ų124132.2 Ų132.266%0.66364%0.639SS**Hα-helixtrans-51-35.3175.9-72.8-29.7000112.4Y197 I198 Q199D195-Y197 VanDerWaalsContact C-N 3.34Å; D195-Y197 PolarHBondContact O-N 3.43Å; D195-I198 PolarHBondContact O-N 3.15Å; D195-Q199 VanDerWaalsContact O-CG 3.3Å; D195-Q199 WeakPolarHBondContact O-CG 3.37Å; D195-Q199 PolarHBondContact O-N 3.47Å
196R89.5Confident81.2Confident215 Ų215132 Ų13281%0.81163%0.628SS**Hα-helixtrans-60.4-41.2175.6-65.8-174-176.8-146.71.5112.3D194 R200D194-R196 PolarHBondContact O-N 3.21Å; R196-R200 WeakPolarHBondContact O-CB 3.3Å; R196-R200 PolarHBondContact O-N 2.93Å
197Y95.2Very high83.1Confident118 Ų118126.5 Ų126.546%0.46361%0.612SS.*Hα-helixtrans-67.6-45.6176.3172.5-91.9000110.8K193 D194 D195 Q199 R200 R201K193-Y197 HydrophobicContact CB-CD1 4.05Å; K193-Y197 HydrophobicContact CD-CD1 4.06Å; K193-Y197 HydrophobicContact CD-CE1 3.84Å; K193-Y197 HydrophobicContact CG-CD1 4.07Å; K193-Y197 HydrophobicContact CG-CE1 4.23Å; D194-Y197 WeakPolarHBondContact O-CA 3.08Å; D194-Y197 WeakPolarHBondContact O-CB 3.26Å; D194-Y197 PolarHBondContact O-N 3.44Å; D195-Y197 VanDerWaalsContact C-N 3.34Å; D195-Y197 PolarHBondContact O-N 3.43Å; Y197-Q199 PolarHBondContact O-N 3.23Å; Y197-R200 PolarHBondContact O-N 3.46Å; Y197-R201 HydrophobicContact CE1-CB 4.47Å; Y197-R201 WeakPolarHBondContact O-CB 3.39Å; Y197-R201 PolarHBondContact O-N 2.91Å
198I91.5Very high85.3Confident71 Ų71118.2 Ų118.236%0.36458%0.583SS.*Hα-helixtrans-59.2-49.7-179-63.3174.4000110.3K193 D194 D195 R200 R201 L202K193-I198 HydrophobicContact CB-CD1 4.26Å; K193-I198 HydrophobicContact CB-CG1 4.06Å; K193-I198 WeakPolarHBondContact O-CD1 3.42Å; D194-I198 PolarHBondContact O-N 3.46Å; D194-I198 VanDerWaalsContact O-N 3.14Å; D195-I198 PolarHBondContact O-N 3.15Å; I198-R200 PolarHBondContact O-N 2.91Å; I198-R201 PolarHBondContact O-N 3.05Å; I198-R201 VanDerWaalsContact O-N 3.14Å; I198-L202 HydrophobicContact CG2-CD1 4.04Å; I198-L202 HydrophobicContact CG2-CG 4.4Å; I198-L202 WeakPolarHBondContact O-CG 3.46Å; I198-L202 PolarHBondContact O-N 3.07Å
199Q93.9Very high87.3Confident114 Ų114117.8 Ų117.853%0.53358%0.577SS.*Hα-helixtrans-60-42.7178.4-70176.514.900112.5D195 Y197 R201 L202 K203D195-Q199 VanDerWaalsContact O-CG 3.3Å; D195-Q199 WeakPolarHBondContact O-CG 3.37Å; D195-Q199 PolarHBondContact O-N 3.47Å; Y197-Q199 PolarHBondContact O-N 3.23Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 3.49Å; Q199-L202 PolarHBondContact O-N 3.37Å; Q199-K203 WeakPolarHBondContact O-CG 3.48Å; Q199-K203 PolarHBondContact O-N 3.05Å
200R95.7Very high89Confident194 Ų194119.3 Ų119.373%0.73258%0.578SS**Hα-helixtrans-62-42.1175.5-172.9-175.2-60.3-104.31.2111.3R196 Y197 I198 K203 N204R196-R200 WeakPolarHBondContact O-CB 3.3Å; R196-R200 PolarHBondContact O-N 2.93Å; Y197-R200 PolarHBondContact O-N 3.46Å; I198-R200 PolarHBondContact O-N 2.91Å; R200-K203 PolarHBondContact O-N 3.42Å; R200-N204 PolarHBondContact O-N 3.35Å
201R97.5Very high90.8Very high120 Ų120116.2 Ų116.245%0.45356%0.56SS.*Hα-helixtrans-65.9-41.6179.6-165.964.7176.8138.2-5.5111.7Y197 I198 Q199 N204 N205Y197-R201 HydrophobicContact CE1-CB 4.47Å; Y197-R201 WeakPolarHBondContact O-CB 3.39Å; Y197-R201 PolarHBondContact O-N 2.91Å; I198-R201 PolarHBondContact O-N 3.05Å; I198-R201 VanDerWaalsContact O-N 3.14Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 3.49Å; R201-N204 PolarHBondContact NH1-OD1 2.85Å; R201-N204 PolarHBondContact O-N 2.89Å; R201-N205 WeakPolarHBondContact O-CB 3.26Å; R201-N205 PolarHBondContact O-N 2.8Å; R201-N205 PolarHBondContact O-ND2 3.41Å
202L96.4Very high92.7Very high108 Ų108120.7 Ų120.757%0.56556%0.562SS**Hα-helixtrans-61.1-46.8173.8-69.2173.4000111.7I198 Q199 N204 N205 L206I198-L202 HydrophobicContact CG2-CD1 4.04Å; I198-L202 HydrophobicContact CG2-CG 4.4Å; I198-L202 WeakPolarHBondContact O-CG 3.46Å; I198-L202 PolarHBondContact O-N 3.07Å; Q199-L202 PolarHBondContact O-N 3.37Å; L202-N204 PolarHBondContact O-N 3.48Å; L202-N205 PolarHBondContact O-N 2.84Å; L202-L206 WeakPolarHBondContact O-CB 3.12Å; L202-L206 PolarHBondContact O-N 3.43Å
203K97.2Very high94.3Very high153 Ų153119.3 Ų119.367%0.66556%0.555SS**Hα-helixtrans-59.5-44.4175.9-73.6178.9-179-1780112.4Q199 R200 L206 A207Q199-K203 WeakPolarHBondContact O-CG 3.48Å; Q199-K203 PolarHBondContact O-N 3.05Å; R200-K203 PolarHBondContact O-N 3.42Å; K203-L206 PolarHBondContact O-N 2.91Å; K203-A207 WeakPolarHBondContact O-CB 3.28Å; K203-A207 PolarHBondContact O-N 3.3Å
204N98.2Very high95.2Very high86 Ų86116.7 Ų116.746%0.4655%0.547SS..Hα-helixtrans-65.8-40.8177.3178.3-103.6000112.3R200 R201 L202 L206 A207 A208R200-N204 PolarHBondContact O-N 3.35Å; R201-N204 PolarHBondContact NH1-OD1 2.85Å; R201-N204 PolarHBondContact O-N 2.89Å; L202-N204 PolarHBondContact O-N 3.48Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-L206 PolarHBondContact O-N 2.96Å; N204-A207 PolarHBondContact O-N 3.38Å; N204-A208 VanDerWaalsContact O-CB 3.24Å; N204-A208 WeakPolarHBondContact O-CB 3.32Å; N204-A208 PolarHBondContact O-N 2.94Å
205N98.1Very high95.8Very high78 Ų78119.3 Ų119.342%0.41755%0.549SS..Hα-helixtrans-62.1-42.5175.4-72.7-16.2000111.5R201 L202 A208 K209R201-N205 WeakPolarHBondContact O-CB 3.26Å; R201-N205 PolarHBondContact O-N 2.8Å; R201-N205 PolarHBondContact O-ND2 3.41Å; L202-N205 PolarHBondContact O-N 2.84Å; N205-A208 PolarHBondContact O-N 3.03Å; N205-K209 WeakPolarHBondContact O-CB 3.46Å; N205-K209 PolarHBondContact O-N 3.26Å
206L97.2Very high96Very high124 Ų124119.3 Ų119.365%0.64954%0.543SS*.Hα-helixtrans-63.3-46.2175.4-176.364.8000111.5L202 K203 N204 A208 K209 R210L202-L206 WeakPolarHBondContact O-CB 3.12Å; L202-L206 PolarHBondContact O-N 3.43Å; K203-L206 PolarHBondContact O-N 2.91Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-L206 PolarHBondContact O-N 2.96Å; L206-A208 PolarHBondContact O-N 3.1Å; L206-K209 PolarHBondContact O-N 2.68Å; L206-R210 WeakPolarHBondContact O-CB 3.37Å; L206-R210 PolarHBondContact O-N 3.03Å
207A96.6Very high96Very high57 Ų57113.8 Ų113.847%0.47152%0.522SS..Hα-helixtrans-62.7-40.6176.700000112.2K203 N204 R210 S211K203-A207 WeakPolarHBondContact O-CB 3.28Å; K203-A207 PolarHBondContact O-N 3.3Å; N204-A207 PolarHBondContact O-N 3.38Å; A207-R210 PolarHBondContact O-N 2.99Å; A207-S211 VanDerWaalsContact O-CB 3.31Å; A207-S211 WeakPolarHBondContact O-CB 3.33Å; A207-S211 PolarHBondContact O-N 3.17Å
208A97.9Very high95.7Very high39 Ų39115.6 Ų115.632%0.32253%0.528SS..Hα-helixtrans-65.4-42.2176.400000111.7N204 N205 L206 S211 R212N204-A208 VanDerWaalsContact O-CB 3.24Å; N204-A208 WeakPolarHBondContact O-CB 3.32Å; N204-A208 PolarHBondContact O-N 2.94Å; N205-A208 PolarHBondContact O-N 3.03Å; L206-A208 PolarHBondContact O-N 3.1Å; A208-S211 PolarHBondContact O-N 3.41Å; A208-R212 WeakPolarHBondContact O-CG 3.5Å; A208-R212 PolarHBondContact O-N 3.32Å
209K97.7Very high95.8Very high134 Ų134117.4 Ų117.458%0.58354%0.535SS*.Hα-helixtrans-59.7-50.6172.8-174.3-179.9178-1740110.6N205 L206 S211 R212 D213N205-K209 WeakPolarHBondContact O-CB 3.46Å; N205-K209 PolarHBondContact O-N 3.26Å; L206-K209 PolarHBondContact O-N 2.68Å; K209-S211 VanDerWaalsContact C-N 3.3Å; K209-S211 PolarHBondContact O-N 3.41Å; K209-R212 WeakPolarHBondContact O-CB 3.21Å; K209-R212 PolarHBondContact O-N 2.94Å; K209-R212 VanDerWaalsContact O-N 3.17Å; K209-D213 VanDerWaalsContact O-CG 3.3Å; K209-D213 PolarHBondContact O-N 3.35Å
210R95.6Very high95.5Very high198 Ų198115.5 Ų115.575%0.74753%0.529SS*.Hα-helixtrans-58.5-40.5177.5-166.6178.4-161.3178.65.3112.5L206 A207 D213 N214L206-R210 WeakPolarHBondContact O-CB 3.37Å; L206-R210 PolarHBondContact O-N 3.03Å; A207-R210 PolarHBondContact O-N 2.99Å; R210-D213 PolarHBondContact O-N 3.37Å; R210-N214 VanDerWaalsContact O-CB 3.27Å; R210-N214 WeakPolarHBondContact O-CB 3.32Å; R210-N214 PolarHBondContact O-N 2.88Å
211S97.7Very high95Very high71 Ų71107.7 Ų107.750%0.49750%0.502SS..Hα-helixtrans-64.7-43.2177.2-178.70000111.9A207 A208 K209 N214 R215A207-S211 VanDerWaalsContact O-CB 3.31Å; A207-S211 WeakPolarHBondContact O-CB 3.33Å; A207-S211 PolarHBondContact O-N 3.17Å; A208-S211 PolarHBondContact O-N 3.41Å; K209-S211 VanDerWaalsContact C-N 3.3Å; K209-S211 PolarHBondContact O-N 3.41Å; S211-N214 PolarHBondContact O-N 3.08Å; S211-R215 PolarHBondContact O-N 2.91Å
212R98Very high94.4Very high191 Ų191107 Ų10772%0.72151%0.507SS*.Hα-helixtrans-62-47.9173.4-72.2175178.5-179-0.9111.6A208 K209 N214 R215 K216A208-R212 WeakPolarHBondContact O-CG 3.5Å; A208-R212 PolarHBondContact O-N 3.32Å; K209-R212 WeakPolarHBondContact O-CB 3.21Å; K209-R212 PolarHBondContact O-N 2.94Å; K209-R212 VanDerWaalsContact O-N 3.17Å; R212-N214 VanDerWaalsContact C-N 3.31Å; R212-N214 PolarHBondContact O-N 2.92Å; R212-R215 PolarHBondContact O-N 2.86Å; R212-K216 WeakPolarHBondContact O-CB 3.49Å; R212-K216 PolarHBondContact O-N 3.26Å
213D96.1Very high93.9Very high74 Ų74104.8 Ų104.840%0.39650%0.503SS..Hα-helixtrans-63.1-38.4179.6-65.6-17.4000111.5K209 R210 K216 R217K209-D213 VanDerWaalsContact O-CG 3.3Å; K209-D213 PolarHBondContact O-N 3.35Å; R210-D213 PolarHBondContact O-N 3.37Å; D213-K216 PolarHBondContact O-N 3Å; D213-R217 WeakPolarHBondContact O-CB 3.32Å; D213-R217 PolarHBondContact O-N 3.49Å
214N94.6Very high93.2Very high77 Ų77101 Ų10141%0.41249%0.49SS..Hα-helixtrans-66.6-41.6175.8-173.670000112.7R210 S211 R212 R218R210-N214 VanDerWaalsContact O-CB 3.27Å; R210-N214 WeakPolarHBondContact O-CB 3.32Å; R210-N214 PolarHBondContact O-N 2.88Å; S211-N214 PolarHBondContact O-N 3.08Å; R212-N214 VanDerWaalsContact C-N 3.31Å; R212-N214 PolarHBondContact O-N 2.92Å; N214-R218 PolarHBondContact O-N 2.59Å; N214-R218 VanDerWaalsContact O-N 3.09Å
215R96Very high92.6Very high159 Ų159103.3 Ų103.360%0.649%0.492SS*.Hα-helixtrans-61.8-49.4174.2-176.5-173.7-59.8-171.5-2.2110.6S211 R212 R217 R218 E219S211-R215 PolarHBondContact O-N 2.91Å; R212-R215 PolarHBondContact O-N 2.86Å; R215-R217 PolarHBondContact O-N 3.36Å; R215-R218 WeakPolarHBondContact O-CB 3.34Å; R215-R218 PolarHBondContact O-N 2.95Å; R215-R218 VanDerWaalsContact O-N 3.14Å; R215-E219 WeakPolarHBondContact CD-OE1 3.17Å; R215-E219 VanDerWaalsContact CG-OE1 3.23Å; R215-E219 WeakPolarHBondContact CG-OE1 3.29Å; R215-E219 WeakPolarHBondContact O-CG 3.22Å; R215-E219 PolarHBondContact O-N 2.92Å
216K94.9Very high92.1Very high125 Ų125101.5 Ų101.554%0.54349%0.489SS..Hα-helixtrans-57-48.8178.9-176.4178.1177.4-174.90111.5R212 D213 R218 E219 D220R212-K216 WeakPolarHBondContact O-CB 3.49Å; R212-K216 PolarHBondContact O-N 3.26Å; D213-K216 PolarHBondContact O-N 3Å; K216-R218 VanDerWaalsContact C-N 3.31Å; K216-R218 PolarHBondContact O-N 3.47Å; K216-E219 PolarHBondContact O-N 3.47Å; K216-E219 VanDerWaalsContact O-N 3.14Å; K216-D220 VanDerWaalsContact O-CG 3.28Å; K216-D220 PolarHBondContact O-N 3.09Å
217R90.4Very high91.3Very high99 Ų9997.8 Ų97.837%0.37447%0.473SS..Hα-helixtrans-55.6-46.2176-172.6-174.1-57.897.67.1111.8D213 R215 E219 D220 T221D213-R217 WeakPolarHBondContact O-CB 3.32Å; D213-R217 PolarHBondContact O-N 3.49Å; R215-R217 PolarHBondContact O-N 3.36Å; R217-E219 VanDerWaalsContact C-N 3.34Å; R217-E219 PolarHBondContact O-N 2.8Å; R217-D220 PolarHBondContact O-N 3.05Å; R217-T221 PolarHBondContact O-N 3.29Å; R217-T221 PolarHBondContact O-OG1 3.5Å
218R88.7Confident90.7Very high156 Ų15698.8 Ų98.859%0.58947%0.465SS*.Hα-helixtrans-59.8-43.9178-177-172.7-67.5-177.5-4.6111.9N214 R215 K216 T221 I222N214-R218 PolarHBondContact O-N 2.59Å; N214-R218 VanDerWaalsContact O-N 3.09Å; R215-R218 WeakPolarHBondContact O-CB 3.34Å; R215-R218 PolarHBondContact O-N 2.95Å; R215-R218 VanDerWaalsContact O-N 3.14Å; K216-R218 VanDerWaalsContact C-N 3.31Å; K216-R218 PolarHBondContact O-N 3.47Å; R218-T221 PolarHBondContact O-N 3.02Å; R218-I222 HydrophobicContact CG-CD1 3.99Å; R218-I222 VanDerWaalsContact O-CG1 3.24Å; R218-I222 WeakPolarHBondContact O-CG1 3.07Å; R218-I222 PolarHBondContact O-N 2.89Å
219E92.5Very high90.1Very high108 Ų108101.3 Ų101.351%0.50547%0.473SS..Hα-helixtrans-62.8-44.4177.1-69.8165.5-175.500111.1R215 K216 R217 I222 A223R215-E219 WeakPolarHBondContact CD-OE1 3.17Å; R215-E219 VanDerWaalsContact CG-OE1 3.23Å; R215-E219 WeakPolarHBondContact CG-OE1 3.29Å; R215-E219 WeakPolarHBondContact O-CG 3.22Å; R215-E219 PolarHBondContact O-N 2.92Å; K216-E219 PolarHBondContact O-N 3.47Å; K216-E219 VanDerWaalsContact O-N 3.14Å; R217-E219 VanDerWaalsContact C-N 3.34Å; R217-E219 PolarHBondContact O-N 2.8Å; E219-I222 PolarHBondContact O-N 3.26Å; E219-A223 WeakPolarHBondContact O-CB 3.3Å; E219-A223 PolarHBondContact O-N 2.87Å
220D88.9Confident89.5Confident75 Ų75101.3 Ų101.340%0.40148%0.475SS..Hα-helixtrans-61.2-46.1176.6-66.2-21.3000111.3K216 R217 I222 A223 L224K216-D220 VanDerWaalsContact O-CG 3.28Å; K216-D220 PolarHBondContact O-N 3.09Å; R217-D220 PolarHBondContact O-N 3.05Å; D220-I222 PolarHBondContact O-N 3.42Å; D220-A223 PolarHBondContact O-N 3.44Å; D220-L224 WeakPolarHBondContact O-CG 3.3Å; D220-L224 PolarHBondContact O-N 2.92Å
221T84.4Confident88.9Confident29 Ų2995.3 Ų95.318%0.17845%0.454CS..Hα-helixtrans-60.2-43.2175.3-530000112D66 R217 R218 L224 R225D66-T221 WeakPolarHBondContact OD2-CB 3.45Å; D66-T221 WeakPolarHBondContact OD2-CG2 3.47Å; D66-T221 PolarHBondContact OD2-OG1 3.24Å; R217-T221 PolarHBondContact O-N 3.29Å; R217-T221 PolarHBondContact O-OG1 3.5Å; R218-T221 PolarHBondContact O-N 3.02Å; T221-L224 PolarHBondContact O-N 3.27Å; T221-R225 WeakPolarHBondContact O-CB 3.36Å; T221-R225 PolarHBondContact O-N 3.3Å
222I84.7Confident88.2Confident107 Ų10793 Ų9355%0.54944%0.438SS..Hα-helixtrans-63.6-44.7177.6-70.4166.6000110.2R218 E219 D220 R225 A226R218-I222 HydrophobicContact CG-CD1 3.99Å; R218-I222 VanDerWaalsContact O-CG1 3.24Å; R218-I222 WeakPolarHBondContact O-CG1 3.07Å; R218-I222 PolarHBondContact O-N 2.89Å; E219-I222 PolarHBondContact O-N 3.26Å; D220-I222 PolarHBondContact O-N 3.42Å; I222-R225 PolarHBondContact O-N 3.34Å; I222-A226 WeakPolarHBondContact O-CB 3.43Å; I222-A226 PolarHBondContact O-N 3.49Å
223A86.8Confident87.8Confident60 Ų6088 Ų8850%0.49643%0.425SS..Hα-helixtrans-61.9-44.1178.500000111.8E219 D220 A226 S227E219-A223 WeakPolarHBondContact O-CB 3.3Å; E219-A223 PolarHBondContact O-N 2.87Å; D220-A223 PolarHBondContact O-N 3.44Å; A223-A226 PolarHBondContact O-N 2.93Å; A223-S227 PolarHBondContact O-N 3.34Å
224L82.8Confident87.2Confident74 Ų7488.5 Ų88.539%0.38743%0.427SS..Hα-helixtrans-63-44.8175.5-74170.2000112E62 D220 T221 S227 Y228E62-L224 WeakPolarHBondContact OE2-CD1 3.31Å; D220-L224 WeakPolarHBondContact O-CG 3.3Å; D220-L224 PolarHBondContact O-N 2.92Å; T221-L224 PolarHBondContact O-N 3.27Å; L224-S227 PolarHBondContact O-N 3.09Å; L224-Y228 WeakPolarHBondContact O-CB 3.5Å; L224-Y228 PolarHBondContact O-N 3.14Å
225R84.6Confident86.7Confident134 Ų13485.5 Ų85.551%0.50641%0.412SS..Hα-helixtrans-62-43.7176.8-174178.2-178.5-173.20.2112F59 T221 I222 Y228 L229F59-R225 HydrophobicContact CE2-CB 4.41Å; T221-R225 WeakPolarHBondContact O-CB 3.36Å; T221-R225 PolarHBondContact O-N 3.3Å; I222-R225 PolarHBondContact O-N 3.34Å; R225-Y228 PolarHBondContact O-N 3.14Å; R225-L229 HydrophobicContact CG-CD1 4.07Å; R225-L229 HydrophobicContact CG-CG 4.47Å; R225-L229 WeakPolarHBondContact O-CB 3.39Å; R225-L229 VanDerWaalsContact O-CG 3.3Å; R225-L229 WeakPolarHBondContact O-CG 3.39Å; R225-L229 PolarHBondContact O-N 2.89Å
226A87.2Confident86.3Confident41 Ų4182.4 Ų82.434%0.33941%0.407SS..Hα-helixtrans-59.6-50.217600000110.8I222 A223 Y228 L229 E230I222-A226 WeakPolarHBondContact O-CB 3.43Å; I222-A226 PolarHBondContact O-N 3.49Å; A223-A226 PolarHBondContact O-N 2.93Å; A226-Y228 VanDerWaalsContact C-N 3.34Å; A226-Y228 PolarHBondContact O-N 3.26Å; A226-L229 PolarHBondContact O-N 3.14Å; A226-E230 VanDerWaalsContact O-CG 3.3Å; A226-E230 WeakPolarHBondContact O-CG 3.39Å; A226-E230 PolarHBondContact O-N 3.01Å
227S81.3Confident85.9Confident45 Ų4581.9 Ų81.932%0.31541%0.407SS..Hα-helixtrans-59.4-41.6178.1-173.40000112.9A223 L224 E230 K231A223-S227 PolarHBondContact O-N 3.34Å; L224-S227 PolarHBondContact O-N 3.09Å; S227-E230 PolarHBondContact O-N 3.33Å; S227-K231 VanDerWaalsContact O-CG 3.31Å; S227-K231 WeakPolarHBondContact O-CG 3.23Å; S227-K231 PolarHBondContact O-N 2.92Å
228Y83.6Confident85.7Confident79 Ų7978.4 Ų78.431%0.3140%0.396SS..Hα-helixtrans-62.5-46.1175.8174-94.4000112.1V54 F59 L224 R225 A226 K231 S232V54-Y228 HydrophobicContact CG1-CD2 4.06Å; V54-Y228 HydrophobicContact CG1-CE2 3.45Å; V54-Y228 VanDerWaalsContact CG1-CE2 3.45Å; F59-Y228 HydrophobicContact CD1-CD1 4.22Å; F59-Y228 AromaticContact CD1-CD2 3.59Å; F59-Y228 HydrophobicContact CD1-CD2 3.59Å; F59-Y228 HydrophobicContact CD1-CE1 4.49Å; F59-Y228 AromaticContact CD1-CE2 3.89Å; F59-Y228 HydrophobicContact CD1-CE2 3.89Å; F59-Y228 AromaticContact CD1-CG 3.77Å; F59-Y228 HydrophobicContact CD1-CG 3.77Å; F59-Y228 HydrophobicContact CD2-CD2 4.34Å; F59-Y228 HydrophobicContact CD2-CG 4.16Å; F59-Y228 AromaticContact CE1-CD1 3.56Å; F59-Y228 HydrophobicContact CE1-CD1 3.56Å; F59-Y228 AromaticContact CE1-CD2 3.82Å; F59-Y228 HydrophobicContact CE1-CD2 3.82Å; F59-Y228 AromaticContact CE1-CE1 3.91Å; F59-Y228 HydrophobicContact CE1-CE1 3.91Å; F59-Y228 HydrophobicContact CE1-CE2 4.14Å; F59-Y228 AromaticContact CE1-CG 3.51Å; F59-Y228 HydrophobicContact CE1-CG 3.51Å; F59-Y228 HydrophobicContact CE2-CD1 4.46Å; F59-Y228 AromaticContact CE2-CG 3.95Å; F59-Y228 HydrophobicContact CE2-CG 3.95Å; F59-Y228 AromaticContact CG-CD2 3.88Å; F59-Y228 HydrophobicContact CG-CD2 3.88Å; F59-Y228 HydrophobicContact CG-CG 4.09Å; F59-Y228 AromaticContact CZ-CD1 3.7Å; F59-Y228 HydrophobicContact CZ-CD1 3.7Å; F59-Y228 HydrophobicContact CZ-CD2 4.3Å; F59-Y228 HydrophobicContact CZ-CE1 4.46Å; F59-Y228 AromaticContact CZ-CG 3.61Å; F59-Y228 HydrophobicContact CZ-CG 3.61Å; L224-Y228 WeakPolarHBondContact O-CB 3.5Å; L224-Y228 PolarHBondContact O-N 3.14Å; R225-Y228 PolarHBondContact O-N 3.14Å; A226-Y228 VanDerWaalsContact C-N 3.34Å; A226-Y228 PolarHBondContact O-N 3.26Å; Y228-K231 PolarHBondContact O-N 3.43Å; Y228-S232 WeakPolarHBondContact O-CB 3.46Å; Y228-S232 PolarHBondContact O-N 3.44Å; Y228-S232 PolarHBondContact O-OG 2.89Å
229L85.3Confident85.6Confident92 Ų9274.6 Ų74.648%0.48239%0.385SS..Hα-helixtrans-65.6-39.8179.3-71.7173.6000111.6R225 A226 S232 N233R225-L229 HydrophobicContact CG-CD1 4.07Å; R225-L229 HydrophobicContact CG-CG 4.47Å; R225-L229 WeakPolarHBondContact O-CB 3.39Å; R225-L229 VanDerWaalsContact O-CG 3.3Å; R225-L229 WeakPolarHBondContact O-CG 3.39Å; R225-L229 PolarHBondContact O-N 2.89Å; A226-L229 PolarHBondContact O-N 3.14Å; L229-S232 PolarHBondContact O-N 2.98Å; L229-N233 WeakPolarHBondContact O-CB 3.11Å; L229-N233 PolarHBondContact O-N 2.98Å
230E85.6Confident85.4Confident134 Ų13473.8 Ų73.863%0.62638%0.383SS*.Hα-helixtrans-60.1-50.2175-74.3168.1-179.300111.6A226 S227 S232 N233 L234A226-E230 VanDerWaalsContact O-CG 3.3Å; A226-E230 WeakPolarHBondContact O-CG 3.39Å; A226-E230 PolarHBondContact O-N 3.01Å; S227-E230 PolarHBondContact O-N 3.33Å; E230-S232 PolarHBondContact O-N 3.41Å; E230-N233 PolarHBondContact O-N 3.38Å; E230-L234 WeakPolarHBondContact O-CB 3.38Å; E230-L234 PolarHBondContact O-N 3.39Å
231K83.2Confident85.4Confident72 Ų7273 Ų7331%0.31338%0.379SS..Hα-helixtrans-62.6-43.8177.7-67.8176.7-177.2-173.40111.8S53 V54 S227 Y228 L234 V235S53-K231 PolarHBondContact OG-NZ 2.88Å; V54-K231 HydrophobicContact CG2-CB 3.47Å; V54-K231 VanDerWaalsContact CG2-CB 3.47Å; V54-K231 HydrophobicContact CG2-CD 4.38Å; S227-K231 VanDerWaalsContact O-CG 3.31Å; S227-K231 WeakPolarHBondContact O-CG 3.23Å; S227-K231 PolarHBondContact O-N 2.92Å; Y228-K231 PolarHBondContact O-N 3.43Å; K231-L234 PolarHBondContact O-N 3.45Å; K231-V235 WeakPolarHBondContact O-CG2 3.49Å; K231-V235 PolarHBondContact O-N 2.9Å; K231-V235 VanDerWaalsContact O-N 3.08Å
232S83.4Confident85.5Confident22 Ų2272.1 Ų72.115%0.15438%0.375CS..Hα-helixtrans-64.9-41.3178.2-57.70000111.7V54 Y228 L229 E230 V235 L236V54-S232 WeakPolarHBondContact CG1-OG 3.44Å; Y228-S232 WeakPolarHBondContact O-CB 3.46Å; Y228-S232 PolarHBondContact O-N 3.44Å; Y228-S232 PolarHBondContact O-OG 2.89Å; L229-S232 PolarHBondContact O-N 2.98Å; E230-S232 PolarHBondContact O-N 3.41Å; S232-V235 PolarHBondContact O-N 3.45Å; S232-L236 WeakPolarHBondContact O-CG 3.27Å; S232-L236 PolarHBondContact O-N 3.24Å
233N88.2Confident85.8Confident85 Ų8571.9 Ų71.946%0.45537%0.374SS..Hα-helixtrans-63.3-42.6176.6-171-76.4000111.1L229 E230 V235 L236 Q237L229-N233 WeakPolarHBondContact O-CB 3.11Å; L229-N233 PolarHBondContact O-N 2.98Å; E230-N233 PolarHBondContact O-N 3.38Å; N233-V235 PolarHBondContact O-N 3.33Å; N233-L236 PolarHBondContact O-N 3.24Å; N233-Q237 WeakPolarHBondContact O-CG 3.24Å; N233-Q237 PolarHBondContact O-N 2.82Å; N233-Q237 PolarHBondContact OD1-NE2 2.84Å
234L84.3Confident85.8Confident85 Ų8572 Ų7245%0.44536%0.363SS..Hα-helixtrans-57.9-46.6174.3-179.763000111.8T50 E230 K231 L236 Q237 T238T50-L234 HydrophobicContact CG2-CD2 4.42Å; E230-L234 WeakPolarHBondContact O-CB 3.38Å; E230-L234 PolarHBondContact O-N 3.39Å; K231-L234 PolarHBondContact O-N 3.45Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 2.86Å; L234-Q237 PolarHBondContact O-N 3.14Å; L234-T238 HydrophobicContact CD1-CG2 4.33Å; L234-T238 VanDerWaalsContact O-CG2 3.26Å; L234-T238 WeakPolarHBondContact O-CG2 3.44Å; L234-T238 PolarHBondContact O-N 3.39Å; L234-T238 PolarHBondContact O-OG1 3.49Å
235V83.1Confident86.1Confident15 Ų1574 Ų749%0.09137%0.366CS..Hα-helixtrans-59.5-42.5175.8171.10000111.7T50 I51 V54 K231 S232 N233 T238 Q239T50-V235 HydrophobicContact CG2-CG2 3.76Å; I51-V235 HydrophobicContact CD1-CG1 4.26Å; I51-V235 HydrophobicContact CG1-CG1 3.75Å; I51-V235 HydrophobicContact CG1-CG2 3.87Å; V54-V235 HydrophobicContact CG2-CG2 4.48Å; K231-V235 WeakPolarHBondContact O-CG2 3.49Å; K231-V235 PolarHBondContact O-N 2.9Å; K231-V235 VanDerWaalsContact O-N 3.08Å; S232-V235 PolarHBondContact O-N 3.45Å; N233-V235 PolarHBondContact O-N 3.33Å; V235-T238 PolarHBondContact O-N 3.25Å; V235-T238 PolarHBondContact O-OG1 3.47Å; V235-Q239 WeakPolarHBondContact O-CB 3.49Å; V235-Q239 VanDerWaalsContact O-CG 3.28Å; V235-Q239 WeakPolarHBondContact O-CG 3.49Å; V235-Q239 PolarHBondContact O-N 3.24Å
236L87.7Confident86.4Confident94 Ų9471.1 Ų71.149%0.49236%0.358SS..Hα-helixtrans-66.6-42.8177.3-70.1171.8000111.8S232 N233 L234 T238 Q239 I240S232-L236 WeakPolarHBondContact O-CG 3.27Å; S232-L236 PolarHBondContact O-N 3.24Å; N233-L236 PolarHBondContact O-N 3.24Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 2.86Å; L236-T238 VanDerWaalsContact C-N 3.3Å; L236-T238 PolarHBondContact O-N 3.24Å; L236-Q239 PolarHBondContact O-N 2.83Å; L236-I240 WeakPolarHBondContact O-CB 3.46Å; L236-I240 WeakPolarHBondContact O-CD1 3.31Å; L236-I240 VanDerWaalsContact O-CG1 3.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.37Å; L236-I240 PolarHBondContact O-N 3.03Å
237Q87.4Confident86.5Confident114 Ų11472 Ų7253%0.53336%0.359SS..Hα-helixtrans-59.7-41.5177.5-73.8-175.318.400111.7N233 L234 I240 L241N233-Q237 WeakPolarHBondContact O-CG 3.24Å; N233-Q237 PolarHBondContact O-N 2.82Å; N233-Q237 PolarHBondContact OD1-NE2 2.84Å; L234-Q237 PolarHBondContact O-N 3.14Å; Q237-I240 PolarHBondContact O-N 3.43Å; Q237-L241 WeakPolarHBondContact O-CB 3.38Å; Q237-L241 PolarHBondContact O-N 3.33Å
238T85.6Confident86.9Confident26 Ų2670.7 Ų70.716%0.1635%0.35CS..Hα-helixtrans-72.1-39.1-179.759.10000112.1L47 L234 V235 L236 L241 A242L47-T238 WeakPolarHBondContact CD1-OG1 3.29Å; L47-T238 VanDerWaalsContact CD2-CB 3.49Å; L47-T238 HydrophobicContact CD2-CG2 3.63Å; L47-T238 WeakPolarHBondContact CD2-OG1 3.46Å; L234-T238 HydrophobicContact CD1-CG2 4.33Å; L234-T238 VanDerWaalsContact O-CG2 3.26Å; L234-T238 WeakPolarHBondContact O-CG2 3.44Å; L234-T238 PolarHBondContact O-N 3.39Å; L234-T238 PolarHBondContact O-OG1 3.49Å; V235-T238 PolarHBondContact O-N 3.25Å; V235-T238 PolarHBondContact O-OG1 3.47Å; L236-T238 VanDerWaalsContact C-N 3.3Å; L236-T238 PolarHBondContact O-N 3.24Å; T238-L241 WeakPolarHBondContact O-CB 3.23Å; T238-L241 PolarHBondContact O-N 2.9Å; T238-A242 PolarHBondContact O-N 3.33Å
239Q88.1Confident87.3Confident75 Ų7573 Ų7335%0.3537%0.366SS..Hα-helixtrans-60.3-46.2171-73.5173.8-2.200111.5V235 L236 L241 A242 L243V235-Q239 WeakPolarHBondContact O-CB 3.49Å; V235-Q239 VanDerWaalsContact O-CG 3.28Å; V235-Q239 WeakPolarHBondContact O-CG 3.49Å; V235-Q239 PolarHBondContact O-N 3.24Å; L236-Q239 PolarHBondContact O-N 2.83Å; Q239-L241 VanDerWaalsContact C-N 3.29Å; Q239-L241 PolarHBondContact O-N 2.79Å; Q239-A242 PolarHBondContact O-N 2.97Å; Q239-L243 WeakPolarHBondContact O-CG 3.34Å; Q239-L243 PolarHBondContact O-N 3.17Å
240I88.3Confident87.6Confident91 Ų9176 Ų7647%0.46738%0.382SS..Hα-helixtrans-58.8-43.2175.2-71.3165.7000110.5L236 Q237 L243 K244L236-I240 WeakPolarHBondContact O-CB 3.46Å; L236-I240 WeakPolarHBondContact O-CD1 3.31Å; L236-I240 VanDerWaalsContact O-CG1 3.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.37Å; L236-I240 PolarHBondContact O-N 3.03Å; Q237-I240 PolarHBondContact O-N 3.43Å; I240-L243 PolarHBondContact O-N 2.92Å; I240-K244 HydrophobicContact CG2-CD 4.18Å; I240-K244 HydrophobicContact CG2-CG 4.33Å; I240-K244 WeakPolarHBondContact O-CB 3.49Å; I240-K244 VanDerWaalsContact O-CG 3.29Å; I240-K244 WeakPolarHBondContact O-CG 3.3Å; I240-K244 PolarHBondContact O-N 3.08Å
241L88.2Confident88Confident60 Ų6078.2 Ų78.231%0.31439%0.385SS..Hα-helixtrans-63-43.3178.6-165.774000111.9Q237 T238 Q239 K244 R245 F255 P257Q237-L241 WeakPolarHBondContact O-CB 3.38Å; Q237-L241 PolarHBondContact O-N 3.33Å; T238-L241 WeakPolarHBondContact O-CB 3.23Å; T238-L241 PolarHBondContact O-N 2.9Å; Q239-L241 VanDerWaalsContact C-N 3.29Å; Q239-L241 PolarHBondContact O-N 2.79Å; L241-K244 PolarHBondContact O-N 2.95Å; L241-R245 PolarHBondContact O-N 2.97Å; L241-F255 HydrophobicContact CD1-CE2 4.39Å; L241-F255 HydrophobicContact CD1-CZ 3.61Å; L241-F255 HydrophobicContact CG-CZ 3.99Å; L241-P257 HydrophobicContact CD1-CB 3.97Å
242A87.3Confident88.3Confident10 Ų1078.1 Ų78.18%0.08340%0.404CS..Hα-helixtrans-61.4-48.5176.200000111.4T238 Q239 K244 R245 E246T238-A242 PolarHBondContact O-N 3.33Å; Q239-A242 PolarHBondContact O-N 2.97Å; A242-K244 PolarHBondContact O-N 3.48Å; A242-R245 WeakPolarHBondContact O-CB 3.38Å; A242-R245 PolarHBondContact O-N 3.46Å; A242-R245 VanDerWaalsContact O-N 3.16Å; A242-E246 PolarHBondContact O-N 3.4Å
243L89.5Confident88.7Confident101 Ų10181.1 Ų81.153%0.52942%0.417SS..Hα-helixtrans-62.6-41.7176.9-69.6173.3000112.3Q239 I240 R245 E246 V247Q239-L243 WeakPolarHBondContact O-CG 3.34Å; Q239-L243 PolarHBondContact O-N 3.17Å; I240-L243 PolarHBondContact O-N 2.92Å; L243-R245 VanDerWaalsContact C-N 3.29Å; L243-R245 PolarHBondContact O-N 2.95Å; L243-E246 PolarHBondContact O-N 3.35Å; L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.24Å; L243-V247 PolarHBondContact O-N 3.49Å
244K88.2Confident88.7Confident64 Ų6482.9 Ų82.928%0.27843%0.434SS..Hα-helixtrans-58.7-42.9174-78.8-178.1177.5-1710111.4I240 L241 A242 V247 C248 F255 Y259I240-K244 HydrophobicContact CG2-CD 4.18Å; I240-K244 HydrophobicContact CG2-CG 4.33Å; I240-K244 WeakPolarHBondContact O-CB 3.49Å; I240-K244 VanDerWaalsContact O-CG 3.29Å; I240-K244 WeakPolarHBondContact O-CG 3.3Å; I240-K244 PolarHBondContact O-N 3.08Å; L241-K244 PolarHBondContact O-N 2.95Å; A242-K244 PolarHBondContact O-N 3.48Å; K244-V247 PolarHBondContact O-N 3.3Å; K244-C248 WeakPolarHBondContact O-CB 3.48Å; K244-C248 PolarHBondContact O-N 3.42Å; K244-C248 PolarHBondContact O-SG 3.42Å; K244-C248 VanDerWaalsContact O-SG 3.32Å; K244-F255 HydrophobicContact CB-CE2 3.92Å; K244-Y259 PolarHBondContact NZ-O 2.99Å
245R89.1Confident89Confident116 Ų11682.3 Ų82.344%0.43843%0.428SS..Hα-helixtrans-62.6-46.2176.9-173.2-178.5-176.9-179.11.6111.3L241 A242 L243 V247 C248 L249 F255L241-R245 PolarHBondContact O-N 2.97Å; A242-R245 WeakPolarHBondContact O-CB 3.38Å; A242-R245 PolarHBondContact O-N 3.46Å; A242-R245 VanDerWaalsContact O-N 3.16Å; L243-R245 VanDerWaalsContact C-N 3.29Å; L243-R245 PolarHBondContact O-N 2.95Å; R245-V247 PolarHBondContact O-N 2.91Å; R245-C248 PolarHBondContact O-N 2.94Å; R245-L249 HydrophobicContact CG-CD1 4.33Å; R245-L249 VanDerWaalsContact O-CG 3.3Å; R245-L249 WeakPolarHBondContact O-CG 3.35Å; R245-L249 PolarHBondContact O-N 3.03Å; R245-F255 HydrophobicContact CB-CD2 3.93Å; R245-F255 HydrophobicContact CB-CE2 3.9Å; R245-F255 HydrophobicContact CB-CG 4.38Å; R245-F255 HydrophobicContact CB-CZ 4.33Å; R245-F255 HydrophobicContact CG-CD2 4.35Å; R245-F255 HydrophobicContact CG-CG 4.32Å
246E89.9Confident89.2Confident72 Ų7285.4 Ų85.434%0.33644%0.443SS..Hα-helixtrans-59.6-45.5176-72.2175.4-16400111.9A242 L243 C248 L249 L250A242-E246 PolarHBondContact O-N 3.4Å; L243-E246 PolarHBondContact O-N 3.35Å; E246-C248 VanDerWaalsContact C-N 3.34Å; E246-C248 PolarHBondContact O-N 3.38Å; E246-L249 PolarHBondContact O-N 3.19Å; E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 3.26Å
247V89.6Confident88.9Confident60 Ų6084 Ų8436%0.36444%0.44SS..Hα-helixtrans-61-42.1176.3170.50000111.5L243 K244 R245 L250 R251L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.24Å; L243-V247 PolarHBondContact O-N 3.49Å; K244-V247 PolarHBondContact O-N 3.3Å; R245-V247 PolarHBondContact O-N 2.91Å; V247-L250 PolarHBondContact O-N 3.23Å; V247-R251 HydrophobicContact CG1-CG 4.4Å; V247-R251 VanDerWaalsContact O-CB 3.29Å; V247-R251 WeakPolarHBondContact O-CB 3.48Å; V247-R251 VanDerWaalsContact O-CG 3.26Å; V247-R251 WeakPolarHBondContact O-CG 3.45Å; V247-R251 PolarHBondContact O-N 3.39Å
248C89.6Confident88.7Confident18 Ų1885 Ų8512%0.12245%0.449CS..Hα-helixtrans-62.3-45.3175.7-74.80000111.8K244 R245 E246 R251 G252 I253 F255K244-C248 WeakPolarHBondContact O-CB 3.48Å; K244-C248 PolarHBondContact O-N 3.42Å; K244-C248 PolarHBondContact O-SG 3.42Å; K244-C248 VanDerWaalsContact O-SG 3.32Å; R245-C248 PolarHBondContact O-N 2.94Å; E246-C248 VanDerWaalsContact C-N 3.34Å; E246-C248 PolarHBondContact O-N 3.38Å; C248-R251 CarbonylContact O-C 3.6Å; C248-R251 PolarHBondContact O-N 3.46Å; C248-G252 PolarHBondContact O-N 3.25Å; C248-I253 HydrophobicContact CB-CG1 3.96Å; C248-I253 WeakPolarHBondContact CB-O 3.49Å; C248-I253 PolarHBondContact O-N 3.47Å; C248-F255 HydrophobicContact CB-CB 4.02Å; C248-F255 HydrophobicContact CB-CD2 4.34Å
249L90.9Very high88.1Confident127 Ų12790.6 Ų90.667%0.66547%0.468SS*.Hα-helixtrans-59.8-47.2176.8-70.5172.3000111.7R245 E246 R251 G252R245-L249 HydrophobicContact CG-CD1 4.33Å; R245-L249 VanDerWaalsContact O-CG 3.3Å; R245-L249 WeakPolarHBondContact O-CG 3.35Å; R245-L249 PolarHBondContact O-N 3.03Å; E246-L249 PolarHBondContact O-N 3.19Å; L249-R251 VanDerWaalsContact C-N 3.3Å; L249-R251 PolarHBondContact O-N 3.05Å; L249-G252 PolarHBondContact O-N 3.04Å
250L93.1Very high87.1Confident155 Ų15595.6 Ų95.681%0.81249%0.489SS*.Hα-helixtrans-66.9-29.6178.8-69.7174.7000113.1E246 V247E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 3.26Å; V247-L250 PolarHBondContact O-N 3.23Å
251R92.4Very high85.8Confident181 Ų18195.3 Ų95.368%0.68349%0.491SS*.Hα-helixtrans-87.7-5.1177.4-70.8178.9179.1174.20.7113.6V247 C248 L249 I253V247-R251 HydrophobicContact CG1-CG 4.4Å; V247-R251 VanDerWaalsContact O-CB 3.29Å; V247-R251 WeakPolarHBondContact O-CB 3.48Å; V247-R251 VanDerWaalsContact O-CG 3.26Å; V247-R251 WeakPolarHBondContact O-CG 3.45Å; V247-R251 PolarHBondContact O-N 3.39Å; C248-R251 CarbonylContact O-C 3.6Å; C248-R251 PolarHBondContact O-N 3.46Å; L249-R251 VanDerWaalsContact C-N 3.3Å; L249-R251 PolarHBondContact O-N 3.05Å; R251-I253 HydrophobicContact CB-CD1 4.2Å; R251-I253 HydrophobicContact CB-CG1 3.99Å; R251-I253 HydrophobicContact CB-CG2 4.39Å; R251-I253 PolarHBondContact O-N 2.91Å
252G91.4Very high84.6Confident69 Ų69102.8 Ų102.871%0.71152%0.515SS*.THydrogen-bonded Turntrans6421.9-175.700000114C248 L249C248-G252 PolarHBondContact O-N 3.25Å; L249-G252 PolarHBondContact O-N 3.04Å
253I90.4Very high82.8Confident85 Ų85107.5 Ų107.544%0.43654%0.543SS..PPolyproline II helixtrans-100.8145.5178.361179000110.3C248 R251 F255C248-I253 HydrophobicContact CB-CG1 3.96Å; C248-I253 WeakPolarHBondContact CB-O 3.49Å; C248-I253 PolarHBondContact O-N 3.47Å; R251-I253 HydrophobicContact CB-CD1 4.2Å; R251-I253 HydrophobicContact CB-CG1 3.99Å; R251-I253 HydrophobicContact CB-CG2 4.39Å; R251-I253 PolarHBondContact O-N 2.91Å; I253-F255 PolarHBondContact O-N 2.84Å
254P89.1Confident81Confident123 Ų123110.2 Ų110.280%0.79955%0.55SS**PPolyproline II helixtrans-56.4135.1172.7-24.234.2000111.2D256P254-D256 PolarHBondContact O-N 3.45Å
255F89.7Confident79.1Confident73 Ų73112.5 Ų112.532%0.3257%0.566SS.*PPolyproline II helixtrans-76.2122.5174.5172.4-106.2000110.2L241 K244 R245 C248 I253 P257L241-F255 HydrophobicContact CD1-CE2 4.39Å; L241-F255 HydrophobicContact CD1-CZ 3.61Å; L241-F255 HydrophobicContact CG-CZ 3.99Å; K244-F255 HydrophobicContact CB-CE2 3.92Å; R245-F255 HydrophobicContact CB-CD2 3.93Å; R245-F255 HydrophobicContact CB-CE2 3.9Å; R245-F255 HydrophobicContact CB-CG 4.38Å; R245-F255 HydrophobicContact CB-CZ 4.33Å; R245-F255 HydrophobicContact CG-CD2 4.35Å; R245-F255 HydrophobicContact CG-CG 4.32Å; C248-F255 HydrophobicContact CB-CB 4.02Å; C248-F255 HydrophobicContact CB-CD2 4.34Å; I253-F255 PolarHBondContact O-N 2.84Å; F255-P257 HydrophobicContact CE1-CB 3.79Å; F255-P257 HydrophobicContact CE1-CG 4.22Å; F255-P257 HydrophobicContact CZ-CB 3.88Å
256D86.9Confident77.4Confident79 Ų79112.4 Ų112.442%0.42257%0.574SS.*  trans-114.3111.8168177.95000109.4P254 N258 Y259P254-D256 PolarHBondContact O-N 3.45Å; D256-N258 PolarHBondContact O-N 3.14Å; D256-N258 WeakPolarHBondContact OD1-CB 3.36Å; D256-N258 PolarHBondContact OD1-N 2.95Å; D256-Y259 WeakPolarHBondContact O-CB 3.46Å; D256-Y259 PolarHBondContact O-N 3.29Å; D256-Y259 VanDerWaalsContact O-N 3.11Å
257P83Confident75.8Confident66 Ų66116.3 Ų116.343%0.42960%0.597SS.*THydrogen-bonded Turntrans-63.5-24179.226.6-34.1000112.9L241 F255 Y259L241-P257 HydrophobicContact CD1-CB 3.97Å; F255-P257 HydrophobicContact CE1-CB 3.79Å; F255-P257 HydrophobicContact CE1-CG 4.22Å; F255-P257 HydrophobicContact CZ-CB 3.88Å; P257-Y259 VanDerWaalsContact C-N 3.33Å
258N82.4Confident74Confident133 Ų133122.8 Ų122.871%0.71162%0.617SS**THydrogen-bonded Turntrans-88.7-1.5179.5-62.8-57.6000112.8D256 K260D256-N258 PolarHBondContact O-N 3.14Å; D256-N258 WeakPolarHBondContact OD1-CB 3.36Å; D256-N258 PolarHBondContact OD1-N 2.95Å; N258-K260 PolarHBondContact O-N 3.14Å
259Y72.7Confident72.1Confident145 Ų145129 Ų12957%0.56965%0.647SS**  trans-66104.2177-174.6-109.8000110.6K244 D256 P257 V261K244-Y259 PolarHBondContact NZ-O 2.99Å; D256-Y259 WeakPolarHBondContact O-CB 3.46Å; D256-Y259 PolarHBondContact O-N 3.29Å; D256-Y259 VanDerWaalsContact O-N 3.11Å; P257-Y259 VanDerWaalsContact C-N 3.33Å; Y259-V261 HydrophobicContact CD1-CG2 3.95Å; Y259-V261 HydrophobicContact CE1-CB 4.48Å; Y259-V261 HydrophobicContact CE1-CG2 3.59Å; Y259-V261 PolarHBondContact O-N 3.32Å
260K67.7Low70Confident180 Ų180128.3 Ų128.378%0.78365%0.653SS**  trans-84.5103.7169.1-66.7-176.9-179.3-179.10107.5N258 R262N258-K260 PolarHBondContact O-N 3.14Å; K260-R262 PolarHBondContact O-N 3.2Å
261V60Low68Low85 Ų85125.9 Ų125.952%0.51565%0.65SS.*  trans-56.7114.7162.8177.60000106.2Y259 V263Y259-V261 HydrophobicContact CD1-CG2 3.95Å; Y259-V261 HydrophobicContact CE1-CB 4.48Å; Y259-V261 HydrophobicContact CE1-CG2 3.59Å; Y259-V261 PolarHBondContact O-N 3.32Å; V261-V263 VanDerWaalsContact C-N 3.3Å; V261-V263 HydrophobicContact CG1-CG2 4.12Å; V261-V263 PolarHBondContact O-N 3.22Å
262R62.7Low65.7Low217 Ų217122.3 Ų122.382%0.81965%0.651SS**  trans-68.496.4166.3-74.2-166.3-91.6-124.91.2106.5K260 F264K260-R262 PolarHBondContact O-N 3.2Å; R262-F264 PolarHBondContact O-N 3.28Å
263V51.6Low63.4Low108 Ų108127 Ų12766%0.65566%0.655SS**  trans-75.1105166.6-173.60000105.4V261 N265V261-V263 VanDerWaalsContact C-N 3.3Å; V261-V263 HydrophobicContact CG1-CG2 4.12Å; V261-V263 PolarHBondContact O-N 3.22Å; V263-N265 PolarHBondContact O-N 3.36Å
264F50.7Low61.3Low158 Ų158129.7 Ų129.769%0.69368%0.675SS**  trans-65.1103.3166.8-78.9-87000107.1R262 D266R262-F264 PolarHBondContact O-N 3.28Å; F264-D266 PolarHBondContact O-N 3.21Å; F264-D266 VanDerWaalsContact O-N 3.11Å
265N48.4Very low58.9Low112 Ų112129.6 Ų129.660%0.59967%0.672SS**  trans-81.975169.4-98.12.4000108V263 N267 Y268V263-N265 PolarHBondContact O-N 3.36Å; N265-N267 PolarHBondContact O-N 3.35Å; N265-N267 VanDerWaalsContact O-N 3.07Å; N265-Y268 PolarHBondContact O-N 3.39Å
266D53.5Low56.7Low115 Ų115131.5 Ų131.562%0.61569%0.692SS**Hα-helixtrans-64.6-12.6178.6-63.9-31.4000112.3F264F264-D266 PolarHBondContact O-N 3.21Å; F264-D266 VanDerWaalsContact O-N 3.11Å
267N55.2Low54.4Low154 Ų154136.6 Ų136.682%0.82471%0.714SS**Hα-helixtrans-89.2-5.4-176.4-68.8-11.9000115.6N265N265-N267 PolarHBondContact O-N 3.35Å; N265-N267 VanDerWaalsContact O-N 3.07Å
268Y53.7Low52.6Low196 Ų196139.3 Ų139.377%0.76973%0.734SS**Hα-helixtrans-103.2-16.9178.6-106.5-89.2000114.5N265N265-Y268 PolarHBondContact O-N 3.39Å
269L49.3Very low50.8Low147 Ų147139 Ų13977%0.7774%0.737SS**Hα-helixtrans-93.2-15.9-177-148.167.5000113.4S271L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 2.87Å
270S46.5Very low49.2Very low113 Ų113138.6 Ų138.679%0.7975%0.745SS**THydrogen-bonded Turntrans-76.3-11-179-1170000115
271S50.4Low47.9Very low105 Ų105140 Ų14073%0.73475%0.751SS**THydrogen-bonded Turntrans-98.71.4-174.5-167.80000114.9L269L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 2.87Å
272C44.6Very low47Very low106 Ų106140.6 Ų140.672%0.71676%0.759SS**  trans-122.552.2-175-55.20000111.6
273Q43.6Very low46.1Very low168 Ų168137.2 Ų137.279%0.78576%0.757SS**  trans-130.784.9164.5-71.9-173.11500109.2
274T45.4Very low45.6Very low141 Ų141140.7 Ų140.787%0.86577%0.767SS**  trans-95.992.9160.351.70000107.6
275T39Very low45.1Very low120 Ų120139 Ų13974%0.73677%0.773SS**  trans-87.6140.2167-16.30000108.6
276P42.6Very low44.9Very low114 Ų114139.4 Ų139.474%0.7478%0.781SS**  -135.3126.5125.331.4-17.2000112.9
277Q40.4Very low44.5Very low186 Ų186141.9 Ų141.987%0.86979%0.794SS**  trans55.2105.1139.9-63-176.14.100119.1
278S45Very low44.1Very low123 Ų123140.3 Ų140.386%0.8679%0.792SS**  trans-133.8123.2144.656.10000108.6
279T43Very low43.7Very low125 Ų125138.4 Ų138.477%0.76780%0.795SS**  trans-68.6143.1-178.642.80000113.8
280D40.7Very low43.2Very low138 Ų138140.9 Ų140.974%0.73880%0.8SS**  trans53.1115.7149.8-62.4-28.4000120.4
281F40.5Very low43.5Very low208 Ų208140.8 Ų140.891%0.91280%0.799SS**  -172.9136.4101.7-95.9-73.7000110.7
282S40.2Very low43.4Very low98 Ų98142 Ų14269%0.68580%0.804SS**  trans-61.3147.4-172.8-44.20000115.6
283N44.3Very low43.6Very low146 Ų146145.1 Ų145.178%0.78181%0.813SS**  171.3118.7116.9-81.2-26.2000112.5
284E40.7Very low43.9Very low182 Ų182141.3 Ų141.385%0.8581%0.809SS**  trans62.4113.4138.2-54.2-78.5104.400120.7
285C39.6Very low43.5Very low123 Ų123140.4 Ų140.483%0.83181%0.808SS**  trans-71.8-171.3164.2-57.70000112.5
286P45Very low43.9Very low119 Ų119139.9 Ų139.977%0.77381%0.809SS**  cis-133.4173-12.516.410.4000115
287L45.4Very low43.8Very low168 Ų168141.7 Ų141.788%0.8881%0.812SS**  trans-29.4157.8169.9-59.5165000117.2
288P46.2Very low44.1Very low120 Ų120140.7 Ų140.778%0.77981%0.808SS**  -148.5151.210937.1-19.9000117.5
289D44.6Very low43.9Very low157 Ų157141.2 Ų141.284%0.8481%0.806SS**  trans59.1131139.9-96.8-31.3000125.1
290F38.7Very low44.3Very low199 Ų199142 Ų14287%0.87381%0.805SS**  trans-68147167.1-86.1-101.6000111.9
291S54.4Low44.5Very low110 Ų110142.1 Ų142.177%0.76981%0.805SS**  trans-139.7124.2155.7-69.70000109.3
292P47.1Very low44.6Very low130 Ų130136.6 Ų136.684%0.84479%0.793SS**  trans-79.4125.5178.130.2-29.4000110.2A294P292-A294 PolarHBondContact O-N 3.32Å
293I48.8Very low44.7Very low173 Ų173139.1 Ų139.189%0.88780%0.798SS**  trans-69.5114.6174.4-65.6172.4000108.9
294A50.6Low45.4Very low87 Ų87138.3 Ų138.372%0.71980%0.799SS**  trans-70.1140.8169.400000111.2P292 S296P292-A294 PolarHBondContact O-N 3.32Å; A294-S296 PolarHBondContact O-N 3.39Å
295C36.9Very low46.4Very low122 Ų122135.2 Ų135.282%0.82479%0.794SS**  trans-56.4125.9175.3-69.60000112.3
296S47.3Very low47.3Very low109 Ų109139.7 Ų139.776%0.76280%0.795SS**  trans-96.7107.9155.6-83.20000109.1A294 Q298A294-S296 PolarHBondContact O-N 3.39Å; S296-Q298 PolarHBondContact O-N 3.22Å
297N39.5Very low48.4Very low153 Ų153139.2 Ų139.282%0.81879%0.792SS**  trans-69.9114.1162.8-70.9-34.5000108.3
298Q47.4Very low49.3Very low165 Ų165136.9 Ų136.977%0.77179%0.787SS**  trans-120101.4158.3-69.9-167.335.700108.5S296 L300S296-Q298 PolarHBondContact O-N 3.22Å; Q298-L300 PolarHBondContact O-N 3.34Å
299T41.7Very low50Low134 Ų134139.1 Ų139.182%0.82279%0.791SS**  trans-63111.8161.841.50000109.6
300L50.7Low50.8Low141 Ų141137 Ų13774%0.73878%0.783SS**  trans-142.1109159.5-75.7178.1000111.1Q298Q298-L300 PolarHBondContact O-N 3.34Å
301N44.7Very low51.2Low140 Ų140135.8 Ų135.875%0.74978%0.781SS**  trans59.5101139-69.4-15.1000121.7
302S42.3Very low51.1Low93 Ų93139.8 Ų139.865%0.6578%0.784SS**  25.6138.3117.356.30000121.5
303N42.5Very low51.2Low150 Ų150139 Ų13980%0.80278%0.782SS**  trans87.986.1154.6-61.4-26000118.4
304V58.6Low51.4Low130 Ų130133.8 Ų133.879%0.78877%0.771SS**  trans-129.2111.1145.3-176.60000108.6
305P62Low51.3Low117 Ų117137.8 Ų137.876%0.7678%0.78SS**PPolyproline II helixtrans-78.5126.2173.5-5.522.7000110.3
306Y58.5Low52.1Low217 Ų217137.7 Ų137.785%0.85178%0.78SS**PPolyproline II helixtrans-76.5140.3165.4-80.3-87.8000110.1
307P69.3Low52.4Low109 Ų109139.9 Ų139.971%0.70882%0.819SS**PPolyproline II helixtrans-72.1148.3175.430.1-33.5000111.5
308P64.1Low53.1Low118 Ų118139.3 Ų139.377%0.76682%0.819SS**PPolyproline II helixtrans-72.9138.8-179.129.6-32.7000111.4T310P308-T310 PolarHBondContact O-N 2.83Å
309I60.2Low53.4Low168 Ų168137.9 Ų137.986%0.86282%0.822SS**  trans-78.3106.6173.8-43.1171.2000106.9E311I309-E311 PolarHBondContact O-N 3.1Å
310T60.8Low54Low112 Ų112138.1 Ų138.169%0.68782%0.822SS**  trans-74.1114.3174.7-47.10000109.4P308 F312P308-T310 PolarHBondContact O-N 2.83Å; T310-F312 PolarHBondContact O-N 3.25Å
311E48.7Very low54.2Low174 Ų174137.9 Ų137.981%0.81383%0.827SS**  trans-65.6112.1168.7-63.6-174.7174.500109.9I309I309-E311 PolarHBondContact O-N 3.1Å
312F51.6Low54.8Low194 Ų194137.8 Ų137.885%0.85183%0.832SS**  trans-92.995.9164.2-114.4-88.2000108.7T310 G314T310-F312 PolarHBondContact O-N 3.25Å; F312-G314 PolarHBondContact O-N 3.41Å; F312-G314 VanDerWaalsContact O-N 3.14Å
313S49.5Very low55.6Low114 Ų114140.8 Ų140.880%0.79784%0.844SS**  trans-66.1101.8160.7-76.70000108.8
314G52.9Low56.6Low63 Ų63140.1 Ų140.165%0.64985%0.847SS**  trans-108.183174.700000110.6F312F312-G314 PolarHBondContact O-N 3.41Å; F312-G314 VanDerWaalsContact O-N 3.14Å
315N47.7Very low56.4Low171 Ų171140.9 Ų140.991%0.91485%0.851SS**  trans-64.9125.1166.1-131.316.1000108.1
316C53.9Low56Low120 Ų120142.9 Ų142.981%0.81186%0.859SS**  trans-130.7106.7172.9-51.30000108.6
317G54.5Low55.7Low155 Ų155136.2 Ų136.2100%1.59886%0.86SS**  trans-89.50152.700000111.2

Retrieved 317 of 317 residues in 325 ms (Link to these results)