A0A077ZIB1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 259 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
1M40.4Very low44.6Very low231 Ų231150.7 Ų150.7100%1.13884%0.841SS**  096.70-151173.8-165.400105.9
2F45.3Very low44.1Very low203 Ų203144.1 Ų144.189%0.8983%0.832SS**  trans-110.3119.9-175.8-70.4-82.4000107.8
3M43.6Very low43.8Very low183 Ų183141.8 Ų141.890%0.90183%0.83SS**  trans-97.3106.6173.2-62.9-156.793.600108.4R5M3-R5 PolarHBondContact O-N 3.39Å
4S53.4Low43.4Very low121 Ų121144.4 Ų144.485%0.84683%0.833SS**  trans-82.7106.8170.7-58.60000108.5
5R38.9Very low43.5Very low213 Ų213142.1 Ų142.180%0.80483%0.825SS**  trans-98.2106.7175.5-163.3173.6-178.4150.95.1108.3M3 D7M3-R5 PolarHBondContact O-N 3.39Å; R5-D7 WeakPolarHBondContact CG-OD2 3.36Å; R5-D7 IonicContact CZ-OD2 3.82Å; R5-D7 IonicContact NE-OD2 2.88Å; R5-D7 PolarHBondContact NE-OD2 2.99Å; R5-D7 IonicContact NH2-OD2 3.97Å
6A43.3Very low43.7Very low97 Ų97140 Ų14080%0.80282%0.817SS**  trans-101.598.5172.300000107.7
7D46.8Very low43.8Very low127 Ų127138.6 Ų138.668%0.67982%0.817SS**  trans-103.2101.2176.2-76.3-33.9000109.5R5R5-D7 WeakPolarHBondContact CG-OD2 3.36Å; R5-D7 IonicContact CZ-OD2 3.82Å; R5-D7 IonicContact NE-OD2 2.88Å; R5-D7 PolarHBondContact NE-OD2 2.99Å; R5-D7 IonicContact NH2-OD2 3.97Å
8G42.7Very low43.7Very low71 Ų71139.1 Ų139.173%0.73282%0.815SS**  trans47.797.4134.400000119.4S10G8-S10 PolarHBondContact O-N 2.92Å; G8-S10 VanDerWaalsContact O-N 3.14Å
9I42.1Very low43.6Very low169 Ų169142.3 Ų142.387%0.86782%0.822SS**  trans-66.3101.515342.9165.5000109.3T11I9-T11 PolarHBondContact O-N 2.72Å
10S47.6Very low43.5Very low115 Ų115140.8 Ų140.880%0.80482%0.82SS**  trans-70.2106.8176.1-178.60000110.1G8 G12G8-S10 PolarHBondContact O-N 2.92Å; G8-S10 VanDerWaalsContact O-N 3.14Å; S10-G12 PolarHBondContact O-N 3.07Å
11T46.7Very low43.1Very low128 Ų128137.1 Ų137.179%0.78581%0.812SS**  trans-65.597.1168.849.30000109.1I9 S13I9-T11 PolarHBondContact O-N 2.72Å; T11-S13 PolarHBondContact O-N 3.26Å
12G39Very low42.9Very low71 Ų71133.1 Ų133.173%0.73280%0.795SS**  trans-66.8108.9172.300000110.1S10 M14S10-G12 PolarHBondContact O-N 3.07Å; G12-M14 PolarHBondContact O-N 3.47Å
13S40.2Very low42.6Very low115 Ų115127.5 Ų127.580%0.80479%0.786SS**PPolyproline II helixtrans-52.5127.9173-65.90000111.7T11T11-S13 PolarHBondContact O-N 3.26Å
14M38.3Very low42.5Very low178 Ų178129.5 Ų129.588%0.87778%0.784SS**PPolyproline II helixtrans-55133.9167-83.6159.866.700110.4G12G12-M14 PolarHBondContact O-N 3.47Å
15P43.7Very low41.7Very low110 Ų110130.6 Ų130.671%0.71478%0.78SS**PPolyproline II helixtrans-70.8146.1172.528.9-32.3000110.7
16P46.9Very low41.9Very low108 Ų108125.8 Ų125.870%0.70178%0.776SS**PPolyproline II helixtrans-66.9136.7-177.226.6-32.7000111.6D18P16-D18 PolarHBondContact O-N 3.13Å; P16-D18 VanDerWaalsContact O-N 3.11Å
17S46Very low42Very low117 Ų117127.7 Ų127.782%0.81878%0.777SS**  trans-73.892.7173.6-53.90000109.4E19S17-E19 VanDerWaalsContact C-N 3.33Å; S17-E19 PolarHBondContact O-N 3.22Å
18D41.5Very low41.7Very low146 Ų146126.9 Ų126.978%0.78178%0.777SS**  trans-74.293.1167.9-73.7-32.6000109P16 S20P16-D18 PolarHBondContact O-N 3.13Å; P16-D18 VanDerWaalsContact O-N 3.11Å; D18-S20 VanDerWaalsContact C-N 3.26Å; D18-S20 PolarHBondContact O-N 3.2Å
19E41.5Very low42Very low200 Ų200128.8 Ų128.894%0.93578%0.777SS**  trans-63.183.8164.2-165.1-174.5145.600108.6S17S17-E19 VanDerWaalsContact C-N 3.33Å; S17-E19 PolarHBondContact O-N 3.22Å
20S42.6Very low42.1Very low113 Ų113126.3 Ų126.379%0.7977%0.765SS**  trans-110.599.9174.5-173.10000110.1D18D18-S20 VanDerWaalsContact C-N 3.26Å; D18-S20 PolarHBondContact O-N 3.2Å
21G34.1Very low42.3Very low64 Ų64128.8 Ų128.866%0.6676%0.764SS**  trans63.580.6130.100000115.9A23G21-A23 PolarHBondContact O-N 3.34Å
22D36.8Very low42.3Very low146 Ų146127.7 Ų127.778%0.78175%0.753SS**  trans-45.5100.1156.6-153.4-5.8000111.2
23A38.5Very low42.7Very low85 Ų85128 Ų12870%0.70274%0.744SS**  trans-128.155.9162.900000108.2G21 L25G21-A23 PolarHBondContact O-N 3.34Å; A23-L25 PolarHBondContact O-N 2.79Å
24R40.9Very low43Very low226 Ų226126.6 Ų126.685%0.85373%0.731SS**  trans-63.687.1160.7-72.3-177.9172.3-168-0.4107.8
25L38Very low43.4Very low144 Ų144122.9 Ų122.975%0.75471%0.714SS**  trans-53.7127.6167.6-71.9169.2000107.6A23 V27A23-L25 PolarHBondContact O-N 2.79Å; L25-V27 PolarHBondContact O-N 3.06Å
26P42.1Very low43.7Very low112 Ų112123.6 Ų123.673%0.72771%0.712SS**  trans-63.1109.6174.524.6-30.7000107.5T28P26-T28 PolarHBondContact O-N 2.97Å
27V45.4Very low43.6Very low136 Ų136126.1 Ų126.182%0.82471%0.709SS**  trans-68.490.6167.4-179.50000105.6L25L25-V27 PolarHBondContact O-N 3.06Å
28T41.7Very low43.8Very low111 Ų111125.9 Ų125.968%0.68170%0.698SS**  trans-60.5126.7164.643.90000106.7P26 N30P26-T28 PolarHBondContact O-N 2.97Å; T28-N30 VanDerWaalsContact C-N 3.3Å; T28-N30 PolarHBondContact O-N 2.88Å
29P48.3Very low44.1Very low111 Ų111125.5 Ų125.572%0.72170%0.695SS**  trans-62.799177.424-31000107.4E31P29-E31 PolarHBondContact O-N 3.15Å
30N43.9Very low44.6Very low116 Ų116121.2 Ų121.262%0.6269%0.687SS**  trans-62.3122.7175.3-158.47.8000106.2T28 N32 S33T28-N30 VanDerWaalsContact C-N 3.3Å; T28-N30 PolarHBondContact O-N 2.88Å; N30-N32 PolarHBondContact O-N 2.98Å; N30-S33 PolarHBondContact O-N 3.1Å; N30-S33 PolarHBondContact O-OG 3.02Å; N30-S33 VanDerWaalsContact O-OG 3.1Å
31E51.2Low44.8Very low168 Ų168121 Ų12179%0.78568%0.682SS**THydrogen-bonded Turntrans-55.8-12.1-172.4-61.3-175.1147.800113.2P29 S33 T34P29-E31 PolarHBondContact O-N 3.15Å; E31-S33 PolarHBondContact O-N 3.13Å; E31-T34 PolarHBondContact O-OG1 3.24Å
32N48.3Very low45.2Very low105 Ų105121.3 Ų121.356%0.56168%0.677SS**THydrogen-bonded Turntrans-75.8-12.4175.6-70.411.1000115.4N30 T34 D35N30-N32 PolarHBondContact O-N 2.98Å; N32-T34 VanDerWaalsContact C-N 3.33Å; N32-D35 PolarHBondContact O-N 3.07Å
33S46.6Very low45.8Very low76 Ų76118.6 Ų118.653%0.53168%0.675SS.*Hα-helixtrans-70.9-32178.853.50000112.4N30 E31 D35 L36 Y37N30-S33 PolarHBondContact O-N 3.1Å; N30-S33 PolarHBondContact O-OG 3.02Å; N30-S33 VanDerWaalsContact O-OG 3.1Å; E31-S33 PolarHBondContact O-N 3.13Å; S33-D35 VanDerWaalsContact C-N 3.31Å; S33-D35 PolarHBondContact O-N 2.95Å; S33-L36 PolarHBondContact O-N 3.46Å; S33-Y37 PolarHBondContact O-N 2.9Å
34T45.9Very low45.9Very low87 Ų87125.5 Ų125.553%0.53468%0.683SS.*Hα-helixtrans-64.2-34.3174.31.30000112.7E31 N32 Y37 N38E31-T34 PolarHBondContact O-OG1 3.24Å; N32-T34 VanDerWaalsContact C-N 3.33Å; T34-Y37 PolarHBondContact O-N 3.2Å; T34-N38 PolarHBondContact O-N 3.17Å; T34-N38 VanDerWaalsContact O-N 3.11Å
35D48.3Very low46.1Very low99 Ų99122 Ų12253%0.52968%0.68SS.*Hα-helixtrans-71.2-38179.2-78.2-12.8000112.1N32 S33 N38 L39N32-D35 PolarHBondContact O-N 3.07Å; S33-D35 VanDerWaalsContact C-N 3.31Å; S33-D35 PolarHBondContact O-N 2.95Å; D35-N38 PolarHBondContact O-N 2.84Å; D35-L39 WeakPolarHBondContact O-CB 3.4Å; D35-L39 WeakPolarHBondContact O-CD1 3.39Å; D35-L39 PolarHBondContact O-N 2.9Å
36L48.5Very low46.5Very low126 Ų126120.2 Ų120.266%0.6668%0.679SS**Hα-helixtrans-69.7-35.6176.1-81165.8000112.3S33 N38 L39 S40S33-L36 PolarHBondContact O-N 3.46Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 2.89Å; L36-S40 PolarHBondContact O-N 3.31Å
37Y45.3Very low46.6Very low161 Ų161125 Ų12563%0.63168%0.683SS**Hα-helixtrans-64.7-41.2175.2-151.9-92.7000111.2S33 T34 L39S33-Y37 PolarHBondContact O-N 2.9Å; T34-Y37 PolarHBondContact O-N 3.2Å; Y37-L39 PolarHBondContact O-N 3.38Å
38N49.6Very low46.6Very low111 Ų111124.9 Ų124.959%0.59468%0.683SS**Hα-helixtrans-70.4-28.2175.5-84.7-21.2000113.6T34 D35 L36 A42T34-N38 PolarHBondContact O-N 3.17Å; T34-N38 VanDerWaalsContact O-N 3.11Å; D35-N38 PolarHBondContact O-N 2.84Å; L36-N38 VanDerWaalsContact C-N 3.35Å; N38-A42 VanDerWaalsContact O-CB 3.23Å; N38-A42 WeakPolarHBondContact O-CB 3.49Å; N38-A42 PolarHBondContact O-N 3.18Å
39L48Very low46.8Very low138 Ų138125.2 Ų125.272%0.72369%0.687SS**Hα-helixtrans-75.7-27.4178.1-98.3143.7000113.7D35 L36 Y37D35-L39 WeakPolarHBondContact O-CB 3.4Å; D35-L39 WeakPolarHBondContact O-CD1 3.39Å; D35-L39 PolarHBondContact O-N 2.9Å; L36-L39 PolarHBondContact O-N 2.89Å; Y37-L39 PolarHBondContact O-N 3.38Å
40S51.9Low46.7Very low110 Ų110125 Ų12577%0.76969%0.688SS**Hα-helixtrans-83.7-28-174.3-147.10000113.7L36L36-S40 PolarHBondContact O-N 3.31Å
41T47.9Very low47Very low110 Ų110128.1 Ų128.168%0.67570%0.704SS**Hα-helixtrans-111.5-15.7-174.6-25.70000114.1A43T41-A43 VanDerWaalsContact C-N 3.29Å; T41-A43 PolarHBondContact O-N 3.14Å
42A43Very low46.7Very low69 Ų69122.1 Ų122.157%0.5769%0.686SS**  trans-81.978173.600000110.1N38 R44N38-A42 VanDerWaalsContact O-CB 3.23Å; N38-A42 WeakPolarHBondContact O-CB 3.49Å; N38-A42 PolarHBondContact O-N 3.18Å; A42-R44 PolarHBondContact O-N 3.1Å
43A47.9Very low46.8Very low89 Ų89122.8 Ų122.874%0.73670%0.7SS**  trans-54.198.2157.300000107.2T41 I45T41-A43 VanDerWaalsContact C-N 3.29Å; T41-A43 PolarHBondContact O-N 3.14Å; A43-I45 VanDerWaalsContact C-N 3.32Å; A43-I45 PolarHBondContact O-N 3.04Å
44R41.1Very low47Very low231 Ų231126.1 Ų126.187%0.87271%0.711SS**  trans-67.793.1-176.8-151.6173.9-177.91701.3106.6A42 S46A42-R44 PolarHBondContact O-N 3.1Å; R44-S46 PolarHBondContact O-N 2.96Å
45I45.8Very low47.1Very low152 Ų152126.7 Ų126.778%0.77973%0.725SS**  trans-69.677.4172.4-54175.1000106.5A43 R47A43-I45 VanDerWaalsContact C-N 3.32Å; A43-I45 PolarHBondContact O-N 3.04Å; I45-R47 PolarHBondContact O-N 3.4Å
46S45.4Very low47.4Very low106 Ų106128.5 Ų128.574%0.74173%0.733SS**  trans-80.959.6171.868.80000108.9R44R44-S46 PolarHBondContact O-N 2.96Å
47R44.5Very low47.5Very low213 Ų213127.3 Ų127.380%0.80473%0.728SS**  trans-13591.5164.3-68.7-170.9-177.1-175.12.3105I45 P49I45-R47 PolarHBondContact O-N 3.4Å; R47-P49 VanDerWaalsContact O-CD 3.28Å; R47-P49 WeakPolarHBondContact O-CD 3.32Å; R47-P49 VanDerWaalsContact O-N 3.09Å
48T44.9Very low48Very low134 Ų134126.2 Ų126.282%0.82273%0.732SS**  trans-47.9117.4157.131.80000106.3S50T48-S50 VanDerWaalsContact C-N 3.29Å; T48-S50 PolarHBondContact O-N 3.29Å
49P45.9Very low48.2Very low117 Ų117128.9 Ų128.976%0.7674%0.738SS**  trans-65.198.8178.824.3-30.3000106.9R47 L51R47-P49 VanDerWaalsContact O-CD 3.28Å; R47-P49 WeakPolarHBondContact O-CD 3.32Å; R47-P49 VanDerWaalsContact O-N 3.09Å; P49-L51 PolarHBondContact O-N 2.87Å; P49-L51 VanDerWaalsContact O-N 3.16Å
50S47.4Very low48.4Very low106 Ų106126.4 Ų126.474%0.74173%0.732SS**  trans-52118.4161.1148.60000105.8T48 G52T48-S50 VanDerWaalsContact C-N 3.29Å; T48-S50 PolarHBondContact O-N 3.29Å; S50-G52 PolarHBondContact O-N 3.34Å
51L50.6Low48.5Very low183 Ų183128.9 Ų128.996%0.95873%0.729SS**  trans-65.936.9177.6-73.7161.9000112.5P49 S53P49-L51 PolarHBondContact O-N 2.87Å; P49-L51 VanDerWaalsContact O-N 3.16Å; L51-S53 PolarHBondContact O-N 2.88Å
52G43.9Very low48.2Very low41 Ų41126.4 Ų126.442%0.42373%0.726SS.*  trans-81.698.7168.500000107.9S50 D54S50-G52 PolarHBondContact O-N 3.34Å; G52-D54 PolarHBondContact O-N 3.49Å
53S49.9Very low48.2Very low120 Ų120128 Ų12884%0.83973%0.733SS**SBendtrans25.63149.654.50000123.7L51 A55L51-S53 PolarHBondContact O-N 2.88Å; S53-A55 PolarHBondContact O-N 3.4Å
54D50.8Low48Very low145 Ų145129.3 Ų129.378%0.77573%0.732SS**  trans-96.583.8176.7-67.9-7.9000107.3G52 I56G52-D54 PolarHBondContact O-N 3.49Å; D54-I56 PolarHBondContact O-N 3.14Å; D54-I56 VanDerWaalsContact O-N 3.08Å
55A49.4Very low47.9Very low99 Ų99129.6 Ų129.682%0.81873%0.733SS**  trans-54115.9169.900000108.6S53 D57S53-A55 PolarHBondContact O-N 3.4Å; A55-D57 PolarHBondContact O-N 2.87Å
56I52.8Low47.8Very low138 Ų138127 Ų12771%0.70873%0.729SS**  trans-65107.8176.2-60.9169.5000106.8D54 L58D54-I56 PolarHBondContact O-N 3.14Å; D54-I56 VanDerWaalsContact O-N 3.08Å; I56-L58 PolarHBondContact O-N 2.86Å
57D51.2Low47.5Very low101 Ų101130.9 Ų130.954%0.5474%0.735SS.*  trans-71.197.1174.7-172.23.5000109.4A55 K59 S60A55-D57 PolarHBondContact O-N 2.87Å; D57-K59 PolarHBondContact O-N 2.93Å; D57-K59 VanDerWaalsContact O-N 3.08Å; D57-K59 VanDerWaalsContact OD1-CB 3.24Å; D57-K59 WeakPolarHBondContact OD1-CB 3.4Å; D57-K59 WeakPolarHBondContact OD1-CG 3.35Å; D57-K59 PolarHBondContact OD1-N 3.35Å; D57-S60 PolarHBondContact O-N 3.48Å; D57-S60 PolarHBondContact O-OG 2.85Å; D57-S60 VanDerWaalsContact O-OG 3.13Å
58L56.6Low47.5Very low137 Ų137124.8 Ų124.872%0.71773%0.725SS**G310 helixtrans-61.8-10.1177.4-70.7167.8000112.8I56 S60 F61I56-L58 PolarHBondContact O-N 2.86Å; L58-S60 PolarHBondContact O-N 3.25Å; L58-F61 PolarHBondContact O-N 2.91Å
59K52.5Low47.5Very low168 Ų168127.5 Ų127.573%0.7373%0.729SS**G310 helixtrans-67.3-22.5173.7-66.8-174.2176.5-175.90113.4D57 F61 G62D57-K59 PolarHBondContact O-N 2.93Å; D57-K59 VanDerWaalsContact O-N 3.08Å; D57-K59 VanDerWaalsContact OD1-CB 3.24Å; D57-K59 WeakPolarHBondContact OD1-CB 3.4Å; D57-K59 WeakPolarHBondContact OD1-CG 3.35Å; D57-K59 PolarHBondContact OD1-N 3.35Å; K59-F61 VanDerWaalsContact C-N 3.27Å; K59-F61 PolarHBondContact O-N 3.16Å; K59-G62 PolarHBondContact O-N 2.88Å
60S53.9Low47.3Very low86 Ų86130.5 Ų130.560%0.60173%0.733SS**G310 helixtrans-70.6-20.7-179.465.40000114.1D57 L58 G62D57-S60 PolarHBondContact O-N 3.48Å; D57-S60 PolarHBondContact O-OG 2.85Å; D57-S60 VanDerWaalsContact O-OG 3.13Å; L58-S60 PolarHBondContact O-N 3.25Å; S60-G62 VanDerWaalsContact C-N 3.34Å
61F53.7Low47.1Very low161 Ų161130 Ų13071%0.70673%0.729SS**G310 helixtrans-83-8.5177.6-75.1-83.9000113.8L58 K59L58-F61 PolarHBondContact O-N 2.91Å; K59-F61 VanDerWaalsContact C-N 3.27Å; K59-F61 PolarHBondContact O-N 3.16Å
62G40Very low46.7Very low58 Ų58131 Ų13160%0.59872%0.722SS**G310 helixtrans-86.6-8.4-176.600000115.9K59 S60 T64K59-G62 PolarHBondContact O-N 2.88Å; S60-G62 VanDerWaalsContact C-N 3.34Å; G62-T64 PolarHBondContact O-N 3.39Å
63S44.7Very low47.2Very low103 Ų103137 Ų13772%0.7274%0.74SS**SBendtrans-93.112.6-166.7-57.20000116
64T43.7Very low47.3Very low117 Ų117137.8 Ų137.872%0.71874%0.735SS**  trans-129.551.8176.261.80000112.1G62G62-T64 PolarHBondContact O-N 3.39Å
65W38.5Very low47.8Very low236 Ų236138.2 Ų138.289%0.89474%0.735SS**  trans-118.784152-75.588.6000106.5E67W65-E67 PolarHBondContact O-N 2.86Å; W65-E67 VanDerWaalsContact O-N 3.09Å
66S43.3Very low47.9Very low99 Ų99138.1 Ų138.169%0.69273%0.725SS**  trans-68.2102.1172.7-360000107.5S68S66-S68 PolarHBondContact O-N 3.39Å
67E39.9Very low48Very low186 Ų186140.2 Ų140.287%0.86973%0.732SS**  trans-67.574165.4-71.8177.5127.200109.2W65W65-E67 PolarHBondContact O-N 2.86Å; W65-E67 VanDerWaalsContact O-N 3.09Å
68S43.3Very low47.6Very low86 Ų86141.8 Ų141.860%0.60174%0.741SS**  trans-134.388.817347.10000106.7S66S66-S68 PolarHBondContact O-N 3.39Å
69E44.6Very low47.2Very low191 Ų191140.4 Ų140.489%0.89374%0.743SS**  trans157.932.6159-86.1171.2-176.700112.4S71E69-S71 PolarHBondContact O-N 2.94Å
70Q41.6Very low47Very low180 Ų180137.1 Ų137.184%0.84174%0.741SS**  trans-81.667.7154.5-70.5-173.617.500108.5Y72Q70-Y72 VanDerWaalsContact C-N 3.28Å; Q70-Y72 PolarHBondContact O-N 2.94Å
71S44.3Very low46.4Very low96 Ų96142.9 Ų142.967%0.67176%0.755SS**  trans-67.893.2166.2171.80000107.8E69 M73E69-S71 PolarHBondContact O-N 2.94Å; S71-M73 PolarHBondContact O-N 3.36Å
72Y42.9Very low46.1Very low204 Ų204140.6 Ų140.680%0.876%0.759SS**  trans-24.898.9164.2-139.6-103.2000112.2Q70 D74Q70-Y72 VanDerWaalsContact C-N 3.28Å; Q70-Y72 PolarHBondContact O-N 2.94Å; Y72-D74 VanDerWaalsContact C-N 3.32Å; Y72-D74 HydrophobicContact CD1-CB 4.46Å; Y72-D74 PolarHBondContact O-N 2.7Å
73M54Low46Very low165 Ų165144.5 Ų144.581%0.81377%0.766SS**  trans-81.492.8161.8-72.3-68175.300106.1S71 M75S71-M73 PolarHBondContact O-N 3.36Å; M73-M75 VanDerWaalsContact C-N 3.3Å; M73-M75 PolarHBondContact O-N 2.95Å
74D51.2Low45.8Very low138 Ų138148.4 Ų148.474%0.73878%0.775SS**  trans-57.992.6167.2-161.622.6000107.7Y72 P76Y72-D74 VanDerWaalsContact C-N 3.32Å; Y72-D74 HydrophobicContact CD1-CB 4.46Å; Y72-D74 PolarHBondContact O-N 2.7Å; D74-P76 VanDerWaalsContact O-CD 3.29Å; D74-P76 WeakPolarHBondContact O-CD 3.4Å
75M60.8Low45.8Very low154 Ų154148.7 Ų148.776%0.75978%0.777SS**  trans-77.9113.2176.8-87-82.6-57.900107.9M73 E77M73-M75 VanDerWaalsContact C-N 3.3Å; M73-M75 PolarHBondContact O-N 2.95Å; M75-E77 PolarHBondContact O-N 3.29Å
76P53Low46Very low96 Ų96142.9 Ų142.962%0.62377%0.768SS**  trans-66.8122.6176.125.5-31.3000109.9D74 D78D74-P76 VanDerWaalsContact O-CD 3.29Å; D74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-D78 PolarHBondContact O-N 3.29Å
77E53.7Low45.8Very low183 Ų183143.5 Ų143.586%0.85577%0.772SS**  trans-70.967.2172.8-63-179.1146.500110.5M75 S79M75-E77 PolarHBondContact O-N 3.29Å; E77-S79 PolarHBondContact O-N 3.15Å; E77-S79 PolarHBondContact O-OG 3.27Å
78D42.8Very low45.9Very low134 Ų134142.5 Ų142.572%0.71777%0.771SS**  trans-75.282.9170.4-76.5-25.2000109.4P76 S80P76-D78 PolarHBondContact O-N 3.29Å; D78-S80 PolarHBondContact O-N 3.11Å
79S48.3Very low45.7Very low108 Ų108143.8 Ų143.876%0.75578%0.78SS**  trans-61.678.4165.434.20000110E77E77-S79 PolarHBondContact O-N 3.15Å; E77-S79 PolarHBondContact O-OG 3.27Å
80S49.7Very low45.2Very low99 Ų99137.9 Ų137.969%0.69277%0.77SS**  trans-140.427.1177.4-82.40000114.8D78D78-S80 PolarHBondContact O-N 3.11Å
81F41.1Very low45Very low207 Ų207134.6 Ų134.691%0.90876%0.763SS**  trans-119.831.6168.6-71.8-77000113.6
82S46.6Very low44.6Very low112 Ų112139.2 Ų139.278%0.78377%0.774SS**SBendtrans-110.647.3175.8-53.10000112.4
83N38.6Very low44.6Very low140 Ų140139.9 Ų139.975%0.74978%0.775SS**  trans-169.876.9157.6-123.2-18.2000113.9
84M40.3Very low43.8Very low185 Ų185139.3 Ų139.391%0.91178%0.775SS**  trans-136.664.7151.8-81.8-165.8-179.400109T86M84-T86 VanDerWaalsContact C-N 3.27Å; M84-T86 PolarHBondContact O-N 2.98Å; M84-T86 VanDerWaalsContact O-N 3.14Å
85T42.9Very low43.2Very low123 Ų123138.1 Ų138.176%0.75578%0.777SS**  trans-75.383.9157.840.60000108.3
86T43Very low42.2Very low115 Ų115139.5 Ų139.571%0.70678%0.784SS**  trans-97.6109.5164.2-46.10000107.8M84 I88M84-T86 VanDerWaalsContact C-N 3.27Å; M84-T86 PolarHBondContact O-N 2.98Å; M84-T86 VanDerWaalsContact O-N 3.14Å; T86-I88 PolarHBondContact O-N 3.21Å; T86-I88 VanDerWaalsContact O-N 3.14Å
87S40.4Very low41.5Very low111 Ų111144 Ų14478%0.77679%0.794SS**  trans-56.2109.4176.4-480000111
88I40.3Very low40.7Very low166 Ų166142.5 Ų142.585%0.85179%0.792SS**  trans-105.589.3155.4-62.7177.8000105.7T86T86-I88 PolarHBondContact O-N 3.21Å; T86-I88 VanDerWaalsContact O-N 3.14Å
89S40.1Very low40.8Very low112 Ų112142 Ų14278%0.78380%0.795SS**  trans-67.4129.7167.356.10000109.3
90G34.3Very low40.4Very low67 Ų67139.4 Ų139.469%0.69179%0.786SS**  trans106.769.5156.300000115.6
91V37.2Very low40Very low112 Ų112142.5 Ų142.568%0.67979%0.794SS**  -143.3100.9129.7-1720000107.4R93V91-R93 HydrophobicContact CG1-CG 4.09Å; V91-R93 PolarHBondContact O-N 3.01Å
92E36.5Very low40.1Very low193 Ų193141.2 Ų141.290%0.90279%0.789SS**  trans-59.6106.1164.2-168.8175.2175.600107.8
93R41.8Very low39.7Very low218 Ų218142.5 Ų142.582%0.82379%0.787SS**  trans-130.6126.2166-87.9-172.3-179122.81.6109.2V91V91-R93 HydrophobicContact CG1-CG 4.09Å; V91-R93 PolarHBondContact O-N 3.01Å
94D36.5Very low39.9Very low153 Ų153146.1 Ų146.182%0.81879%0.79SS**  trans-51.9138-166.9-70.1-60.5000114.7M96D94-M96 PolarHBondContact O-N 2.95Å
95S40.4Very low39.6Very low113 Ų113143.6 Ų143.679%0.7979%0.785SS**  trans-45.799.7168.8153.50000112.4
96M37.8Very low39.4Very low182 Ų182142.2 Ų142.290%0.89778%0.78SS**  trans-95.6104.2147.9-85.7-161.4159.800109.1D94 N98D94-M96 PolarHBondContact O-N 2.95Å; M96-N98 PolarHBondContact O-N 3.06Å; M96-N98 VanDerWaalsContact O-N 3.1Å
97K38.6Very low38.9Very low192 Ų192146 Ų14684%0.83579%0.79SS**  trans-56.599.5177.7-172.8175.7-176.4-179.80110.3P99K97-P99 WeakPolarHBondContact O-CD 3.3Å
98N36.8Very low38.8Very low150 Ų150145.9 Ų145.980%0.80279%0.789SS**  trans-62.4119.6166.6-81.1-24.5000108.8M96 G100M96-N98 PolarHBondContact O-N 3.06Å; M96-N98 VanDerWaalsContact O-N 3.1Å; N98-G100 PolarHBondContact O-N 3.09Å; N98-G100 VanDerWaalsContact O-N 3.15Å
99P45.7Very low38.5Very low123 Ų123146.9 Ų146.980%0.79979%0.79SS**  trans-67.5115.3172.825.4-28.4000108.5K97K97-P99 WeakPolarHBondContact O-CD 3.3Å
100G39.2Very low38.7Very low55 Ų55146.6 Ų146.657%0.56779%0.788SS**  trans-56134.9179.400000112N98 F102N98-G100 PolarHBondContact O-N 3.09Å; N98-G100 VanDerWaalsContact O-N 3.15Å; G100-F102 WeakPolarHBondContact O-CD2 3.4Å; G100-F102 PolarHBondContact O-N 3.46Å
101L42.2Very low38.7Very low163 Ų163155.6 Ų155.685%0.85380%0.801SS**  trans-52.792.2168.1-158.4142.1000108.8D103L101-D103 PolarHBondContact O-N 3Å; L101-D103 VanDerWaalsContact O-N 3.13Å
102F43.6Very low39.1Very low180 Ų180155.2 Ų155.279%0.78980%0.799SS**  trans-76.997.1174.6-91.3-82.8000108.8G100 R104G100-F102 WeakPolarHBondContact O-CD2 3.4Å; G100-F102 PolarHBondContact O-N 3.46Å; F102-R104 PolarHBondContact O-N 3.33Å
103D38.5Very low39.3Very low139 Ų139155.1 Ų155.174%0.74380%0.798SS**  trans-51.2104.2152.3-102.8-35.4000108.5L101L101-D103 PolarHBondContact O-N 3Å; L101-D103 VanDerWaalsContact O-N 3.13Å
104R40.9Very low39.4Very low217 Ų217152 Ų15282%0.81980%0.797SS**  trans-118.171.5170.5-93.9-173.2160.8-172-4.2109.8F102 S106F102-R104 PolarHBondContact O-N 3.33Å; R104-S106 PolarHBondContact O-N 3.35Å; R104-S106 VanDerWaalsContact O-N 3.17Å
105T35.2Very low39.8Very low132 Ų132153.4 Ų153.481%0.8180%0.796SS**  trans-60.2101.6150.1-36.30000107.9
106S38.5Very low40.3Very low94 Ų94154.5 Ų154.566%0.65779%0.792SS**  trans-159.299.5169.9-67.30000112.2R104R104-S106 PolarHBondContact O-N 3.35Å; R104-S106 VanDerWaalsContact O-N 3.17Å
107H32.9Very low41Very low194 Ų194152.4 Ų152.490%0.89879%0.785SS**  trans38.191.3140.2-66-61.1000118.6
108S37.3Very low41.9Very low108 Ų108151.4 Ų151.476%0.75579%0.789SS**  trans-57.2124.6143.846.50000110.5
109E35.1Very low42.7Very low188 Ų188149.2 Ų149.288%0.87979%0.785SS**  trans158.196.7140.7-89.1173.8-175.700111.4
110S44.1Very low43.2Very low105 Ų105148 Ų14873%0.73477%0.771SS**  trans-167.592.4140.753.60000109.1T112S110-T112 VanDerWaalsContact C-N 3.28Å; S110-T112 PolarHBondContact O-N 3.49Å
111R33.7Very low44.3Very low257 Ų257151 Ų15197%0.9777%0.774SS**  trans-74.581.1168.3-178.3-178.1179.3175.90.1108.1
112T45.2Very low45.6Very low103 Ų103147.4 Ų147.463%0.63276%0.763SS**  trans-99.8121.9166.947.90000108.8S110 L114S110-T112 VanDerWaalsContact C-N 3.28Å; S110-T112 PolarHBondContact O-N 3.49Å; T112-L114 PolarHBondContact O-N 3.36Å
113E41.9Very low47.1Very low191 Ų191142 Ų14289%0.89375%0.748SS**  trans-5396.5168.6-73.9178.3141.400109.5K115E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.05Å
114L44.1Very low48.8Very low152 Ų152138 Ų13880%0.79673%0.73SS**  trans-73.991.4170.9-73.2169.8000107.5T112 L116T112-L114 PolarHBondContact O-N 3.36Å; L114-L116 PolarHBondContact O-N 3.22Å; L114-L116 VanDerWaalsContact O-N 3.1Å
115K43.4Very low50.5Low184 Ų184131.1 Ų131.180%0.871%0.712SS**  trans-59.7108.2154.8-80.6-179.1176177.10106.7E113 D117E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.05Å; K115-D117 PolarHBondContact O-N 3.08Å
116L51.8Low52.9Low136 Ų136129 Ų12971%0.71270%0.696SS**  trans-68.283.7171.8-75.6155.9000107.8L114 L120L114-L116 PolarHBondContact O-N 3.22Å; L114-L116 VanDerWaalsContact O-N 3.1Å; L116-L120 HydrophobicContact CD2-CD1 4.34Å
117D52.3Low54.9Low137 Ų137128.4 Ų128.473%0.73369%0.691SS**  trans-67.4131.9160.9-93.3-53.1000107.8K115 S119K115-D117 PolarHBondContact O-N 3.08Å; D117-S119 PolarHBondContact O-N 2.99Å
118D57.6Low57.4Low172 Ų172123.3 Ų123.392%0.9267%0.673SS**SBendtrans-61.619.4-170.2-74.6-42.9000116
119S54.1Low59.9Low104 Ų104121.9 Ų121.973%0.72766%0.657SS**  trans-100.750.1174.4174.80000110.9D117 N121D117-S119 PolarHBondContact O-N 2.99Å; S119-N121 VanDerWaalsContact C-N 3.32Å; S119-N121 PolarHBondContact O-N 3.13Å
120L55.7Low62.5Low97 Ų97117.5 Ų117.551%0.50864%0.639SS.*  trans-7297.2162.9-68.5178.2000107.5L116 S122 V125L116-L120 HydrophobicContact CD2-CD1 4.34Å; L120-S122 PolarHBondContact O-N 3.04Å; L120-V125 HydrophobicContact CB-CG2 3.89Å; L120-V125 HydrophobicContact CD1-CG2 4.29Å
121N63Low64.6Low117 Ų117116 Ų11663%0.62663%0.628SS**  trans-51.2134.8169.2-1495.3000107.7S119 S123 S124S119-N121 VanDerWaalsContact C-N 3.32Å; S119-N121 PolarHBondContact O-N 3.13Å; N121-S123 PolarHBondContact O-N 3.08Å; N121-S124 WeakPolarHBondContact O-CB 3.38Å; N121-S124 PolarHBondContact O-N 3.29Å
122S69.6Low67.3Low88 Ų88108 Ų10862%0.61561%0.608SS**Hα-helixtrans-50.3-34.5-170.744.50000113.3L120 S124 V125 D126L120-S122 PolarHBondContact O-N 3.04Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 2.66Å; S122-V125 PolarHBondContact O-N 3.29Å; S122-D126 PolarHBondContact O-N 3.07Å; S122-D126 VanDerWaalsContact O-N 3.13Å
123S73.8Confident69.6Low68 Ų68110.5 Ų110.548%0.47661%0.606SS.*Hα-helixtrans-60.9-32.7175.160.90000114.7N121 D126 C127N121-S123 PolarHBondContact O-N 3.08Å; S123-D126 PolarHBondContact O-N 3.04Å; S123-C127 PolarHBondContact O-N 3.46Å; S123-C127 VanDerWaalsContact O-N 3.07Å; S123-C127 PolarHBondContact O-SG 3.36Å
124S74.6Confident72Confident53 Ų53106.4 Ų106.437%0.37159%0.59SS.*Hα-helixtrans-71.4-34.8177.4-1730000111.7N121 S122 V128N121-S124 WeakPolarHBondContact O-CB 3.38Å; N121-S124 PolarHBondContact O-N 3.29Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 2.66Å; S124-V128 WeakPolarHBondContact O-CG2 3.4Å; S124-V128 PolarHBondContact O-N 3.29Å
125V77.5Confident74.2Confident73 Ų73102.8 Ų102.844%0.44257%0.574SS.*Hα-helixtrans-68.8-40.4175.6-178.50000109.8L120 S122 V128 L129L120-V125 HydrophobicContact CB-CG2 3.89Å; L120-V125 HydrophobicContact CD1-CG2 4.29Å; S122-V125 PolarHBondContact O-N 3.29Å; V125-V128 PolarHBondContact O-N 3.22Å; V125-L129 WeakPolarHBondContact O-CB 3.27Å; V125-L129 PolarHBondContact O-N 2.84Å
126D84Confident76.5Confident88 Ų8896.4 Ų96.447%0.47155%0.553SS.*Hα-helixtrans-61.8-44.7176.2-66.6-31.1000111.8S122 S123 V128 L129 D130S122-D126 PolarHBondContact O-N 3.07Å; S122-D126 VanDerWaalsContact O-N 3.13Å; S123-D126 PolarHBondContact O-N 3.04Å; D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 PolarHBondContact O-N 2.71Å; D126-L129 PolarHBondContact O-N 3.23Å; D126-D130 PolarHBondContact O-N 3.13Å
127C81.2Confident78.4Confident81 Ų8192.4 Ų92.455%0.54754%0.539SS..Hα-helixtrans-62-38.5176.6-67.50000113.3S123 S131S123-C127 PolarHBondContact O-N 3.46Å; S123-C127 VanDerWaalsContact O-N 3.07Å; S123-C127 PolarHBondContact O-SG 3.36Å; C127-S131 WeakPolarHBondContact O-CB 3.48Å; C127-S131 PolarHBondContact O-N 2.96Å; C127-S131 VanDerWaalsContact O-N 3.07Å; C127-S131 PolarHBondContact O-OG 3.46Å
128V85Confident80.1Confident87 Ų8791.2 Ų91.253%0.52753%0.529SS..Hα-helixtrans-68.4-42.2175.7172.90000110.3S124 V125 D126 D130 S131 V132S124-V128 WeakPolarHBondContact O-CG2 3.4Å; S124-V128 PolarHBondContact O-N 3.29Å; V125-V128 PolarHBondContact O-N 3.22Å; D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 PolarHBondContact O-N 2.71Å; V128-D130 VanDerWaalsContact C-N 3.34Å; V128-D130 PolarHBondContact O-N 2.73Å; V128-S131 PolarHBondContact O-N 3.33Å; V128-V132 HydrophobicContact CG1-CG2 4.35Å; V128-V132 WeakPolarHBondContact O-CG2 3.17Å; V128-V132 PolarHBondContact O-N 2.93Å
129L90.4Very high81.7Confident79 Ų7987.8 Ų87.841%0.41451%0.51SS..Hα-helixtrans-61.9-42.3178.3-166.677.3000111.6V125 D126 V132 R133V125-L129 WeakPolarHBondContact O-CB 3.27Å; V125-L129 PolarHBondContact O-N 2.84Å; D126-L129 PolarHBondContact O-N 3.23Å; L129-V132 PolarHBondContact O-N 3.26Å; L129-R133 WeakPolarHBondContact O-CB 3.35Å; L129-R133 VanDerWaalsContact O-CG 3.3Å; L129-R133 WeakPolarHBondContact O-CG 3.45Å; L129-R133 PolarHBondContact O-N 3.38Å
130D89Confident83.4Confident96 Ų9690.2 Ų90.251%0.51351%0.508SS..Hα-helixtrans-65.4-40.2176.2-75.6-17.3000111.7D126 V128 R133 N134D126-D130 PolarHBondContact O-N 3.13Å; V128-D130 VanDerWaalsContact C-N 3.34Å; V128-D130 PolarHBondContact O-N 2.73Å; D130-R133 PolarHBondContact O-N 3.35Å; D130-N134 WeakPolarHBondContact O-CB 3.29Å; D130-N134 PolarHBondContact O-N 3.25Å
131S89.3Confident85.1Confident72 Ų7290 Ų9050%0.50351%0.51SS..Hα-helixtrans-63.2-45175-58.50000111.7C127 V128 R133 N134 V135C127-S131 WeakPolarHBondContact O-CB 3.48Å; C127-S131 PolarHBondContact O-N 2.96Å; C127-S131 VanDerWaalsContact O-N 3.07Å; C127-S131 PolarHBondContact O-OG 3.46Å; V128-S131 PolarHBondContact O-N 3.33Å; S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 2.97Å; S131-N134 PolarHBondContact O-N 3.47Å; S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.97Å
132V89.9Confident86.3Confident90 Ų9088.4 Ų88.455%0.54550%0.504SS..Hα-helixtrans-63.7-40.3176.4171.20000111.1V128 L129 S136V128-V132 HydrophobicContact CG1-CG2 4.35Å; V128-V132 WeakPolarHBondContact O-CG2 3.17Å; V128-V132 PolarHBondContact O-N 2.93Å; L129-V132 PolarHBondContact O-N 3.26Å; V132-S136 WeakPolarHBondContact O-CB 3.16Å; V132-S136 PolarHBondContact O-N 3.05Å
133R92.4Very high87.3Confident156 Ų15688.7 Ų88.759%0.58950%0.499SS*.Hα-helixtrans-64.1-41.8175-78.9175175.6170.7-0.5112L129 D130 S131 S136 A137L129-R133 WeakPolarHBondContact O-CB 3.35Å; L129-R133 VanDerWaalsContact O-CG 3.3Å; L129-R133 WeakPolarHBondContact O-CG 3.45Å; L129-R133 PolarHBondContact O-N 3.38Å; D130-R133 PolarHBondContact O-N 3.35Å; S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 2.97Å; R133-S136 PolarHBondContact O-N 3.06Å; R133-A137 WeakPolarHBondContact O-CB 3.49Å; R133-A137 PolarHBondContact O-N 3.02Å
134N93Very high88.2Confident105 Ų10588.7 Ų88.756%0.56150%0.497SS*.Hα-helixtrans-63.9-49.7177.8-172.666.2000111.5D130 S131 S136 A137 E138D130-N134 WeakPolarHBondContact O-CB 3.29Å; D130-N134 PolarHBondContact O-N 3.25Å; S131-N134 PolarHBondContact O-N 3.47Å; N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 3.34Å; N134-A137 PolarHBondContact O-N 3.22Å; N134-A137 VanDerWaalsContact O-N 3.16Å; N134-E138 PolarHBondContact O-N 3.16Å
135V90.5Very high89Confident75 Ų7590.4 Ų90.446%0.45551%0.505SS..Hα-helixtrans-61.4-39.9176173.30000111S131 A137 E138 I139S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.97Å; V135-A137 VanDerWaalsContact C-N 3.35Å; V135-A137 PolarHBondContact O-N 2.79Å; V135-E138 PolarHBondContact O-N 2.97Å; V135-I139 HydrophobicContact CG1-CD1 3.75Å; V135-I139 HydrophobicContact CG1-CG1 4.35Å; V135-I139 WeakPolarHBondContact O-CB 3.44Å; V135-I139 VanDerWaalsContact O-CG1 3.27Å; V135-I139 WeakPolarHBondContact O-CG1 3.5Å; V135-I139 PolarHBondContact O-N 3.09Å
136S92.5Very high89.5Confident51 Ų5188.9 Ų88.936%0.35750%0.5SS..Hα-helixtrans-63.9-39.2176-176.60000112.5V132 R133 N134 K140V132-S136 WeakPolarHBondContact O-CB 3.16Å; V132-S136 PolarHBondContact O-N 3.05Å; R133-S136 PolarHBondContact O-N 3.06Å; N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 3.34Å; S136-K140 WeakPolarHBondContact O-CG 3.5Å; S136-K140 PolarHBondContact O-N 3.01Å; S136-K140 VanDerWaalsContact O-N 3.11Å
137A90.1Very high89.8Confident52 Ų5290.2 Ų90.243%0.4350%0.504SS..Hα-helixtrans-66.3-43.5175.500000111.2R133 N134 V135 K140 T141R133-A137 WeakPolarHBondContact O-CB 3.49Å; R133-A137 PolarHBondContact O-N 3.02Å; N134-A137 PolarHBondContact O-N 3.22Å; N134-A137 VanDerWaalsContact O-N 3.16Å; V135-A137 VanDerWaalsContact C-N 3.35Å; V135-A137 PolarHBondContact O-N 2.79Å; A137-K140 WeakPolarHBondContact O-CB 3.26Å; A137-K140 PolarHBondContact O-N 2.94Å; A137-T141 WeakPolarHBondContact O-CG2 3.49Å; A137-T141 PolarHBondContact O-N 2.78Å; A137-T141 VanDerWaalsContact O-N 3.15Å
138E89.5Confident90.2Very high111 Ų11189.2 Ų89.252%0.51950%0.498SS..Hα-helixtrans-61.4-48.5177.1-171.2175.4178.200111.7N134 V135 K140 T141 V142N134-E138 PolarHBondContact O-N 3.16Å; V135-E138 PolarHBondContact O-N 2.97Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 3.25Å; E138-T141 WeakPolarHBondContact O-CA 3.32Å; E138-T141 PolarHBondContact O-N 3.35Å; E138-T141 PolarHBondContact O-OG1 3.28Å; E138-V142 HydrophobicContact CG-CG2 4.38Å; E138-V142 WeakPolarHBondContact O-CG2 3.48Å; E138-V142 PolarHBondContact O-N 3.38Å
139I89.9Confident90.3Very high100 Ų10090.7 Ų90.751%0.51350%0.499SS..Hα-helixtrans-57.3-42176.1-70.1168.2000111.1V135 T141 V142 L143V135-I139 HydrophobicContact CG1-CD1 3.75Å; V135-I139 HydrophobicContact CG1-CG1 4.35Å; V135-I139 WeakPolarHBondContact O-CB 3.44Å; V135-I139 VanDerWaalsContact O-CG1 3.27Å; V135-I139 WeakPolarHBondContact O-CG1 3.5Å; V135-I139 PolarHBondContact O-N 3.09Å; I139-T141 PolarHBondContact O-N 3.23Å; I139-V142 PolarHBondContact O-N 2.77Å; I139-L143 VanDerWaalsContact O-CB 3.26Å; I139-L143 WeakPolarHBondContact O-CB 3.49Å; I139-L143 PolarHBondContact O-N 3.27Å
140K89.9Confident90.1Very high156 Ų15692.1 Ų92.168%0.67851%0.506SS*.Hα-helixtrans-63.7-26.4176.9-78.8176.4-179.31780113.3S136 A137 E138 P144S136-K140 WeakPolarHBondContact O-CG 3.5Å; S136-K140 PolarHBondContact O-N 3.01Å; S136-K140 VanDerWaalsContact O-N 3.11Å; A137-K140 WeakPolarHBondContact O-CB 3.26Å; A137-K140 PolarHBondContact O-N 2.94Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 3.25Å; K140-P144 WeakPolarHBondContact O-CD 3.37Å; K140-P144 WeakPolarHBondContact O-CG 3.24Å
141T91.3Very high89.9Confident92 Ų9290.1 Ų90.156%0.56450%0.503SS*.Hα-helixtrans-86.3-34.4176.859.10000113.2A137 E138 I139A137-T141 WeakPolarHBondContact O-CG2 3.49Å; A137-T141 PolarHBondContact O-N 2.78Å; A137-T141 VanDerWaalsContact O-N 3.15Å; E138-T141 WeakPolarHBondContact O-CA 3.32Å; E138-T141 PolarHBondContact O-N 3.35Å; E138-T141 PolarHBondContact O-OG1 3.28Å; I139-T141 PolarHBondContact O-N 3.23Å
142V89.5Confident89.6Confident83 Ų8393.6 Ų93.650%0.50351%0.511SS..Hα-helixtrans-82.5-37.2-176.5176.80000112.2E138 I139 V145 A146E138-V142 HydrophobicContact CG-CG2 4.38Å; E138-V142 WeakPolarHBondContact O-CG2 3.48Å; E138-V142 PolarHBondContact O-N 3.38Å; I139-V142 PolarHBondContact O-N 2.77Å; V142-V145 PolarHBondContact O-N 3.46Å; V142-A146 PolarHBondContact O-N 3.3Å
143L90.5Very high89.2Confident94 Ų9494.6 Ų94.649%0.49251%0.513SS..Hα-helixtrans-54.7-50.2-178.9-172.469.3000114I139 V145 A146 E147I139-L143 VanDerWaalsContact O-CB 3.26Å; I139-L143 WeakPolarHBondContact O-CB 3.49Å; I139-L143 PolarHBondContact O-N 3.27Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.42Å; L143-A146 PolarHBondContact O-N 2.91Å; L143-E147 HydrophobicContact CG-CG 4.5Å; L143-E147 WeakPolarHBondContact O-CG 3.43Å; L143-E147 PolarHBondContact O-N 2.97Å
144P91.3Very high88.7Confident68 Ų6890.1 Ų90.144%0.44251%0.505SS..Hα-helixtrans-66.8-30.2-179.426.1-35.5000113.1K140 S148K140-P144 WeakPolarHBondContact O-CD 3.37Å; K140-P144 WeakPolarHBondContact O-CG 3.24Å; P144-S148 WeakPolarHBondContact O-CB 3.28Å; P144-S148 PolarHBondContact O-N 3.05Å; P144-S148 PolarHBondContact O-OG 3.04Å
145V91.5Very high88.1Confident90 Ų9089.5 Ų89.555%0.54551%0.505SS..Hα-helixtrans-65.8-48.4175.5178.30000109.6V142 L143 E147 S148 E149V142-V145 PolarHBondContact O-N 3.46Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.42Å; V145-E147 PolarHBondContact O-N 2.8Å; V145-S148 PolarHBondContact O-N 2.95Å; V145-S148 PolarHBondContact O-OG 3.48Å; V145-E149 PolarHBondContact O-N 3.13Å
146A88.2Confident87.2Confident41 Ų4192.3 Ų92.334%0.33951%0.513SS..Hα-helixtrans-62.5-41.3176.900000112.4V142 L143 S148 E149 I150V142-A146 PolarHBondContact O-N 3.3Å; L143-A146 PolarHBondContact O-N 2.91Å; A146-S148 VanDerWaalsContact C-N 3.33Å; A146-S148 PolarHBondContact O-N 3.26Å; A146-E149 PolarHBondContact O-N 2.98Å; A146-I150 VanDerWaalsContact O-CG1 3.28Å; A146-I150 WeakPolarHBondContact O-CG1 3.35Å; A146-I150 PolarHBondContact O-N 2.89Å
147E90.6Very high86.4Confident116 Ų11697.8 Ų97.854%0.54253%0.526SS..Hα-helixtrans-62.1-39.8175.6-73.8177171.800112L143 V145 A151L143-E147 HydrophobicContact CG-CG 4.5Å; L143-E147 WeakPolarHBondContact O-CG 3.43Å; L143-E147 PolarHBondContact O-N 2.97Å; V145-E147 PolarHBondContact O-N 2.8Å; E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 3.36Å
148S90.2Very high85.4Confident60 Ų60101.9 Ų101.942%0.4254%0.536SS..Hα-helixtrans-66.8-40.3176.769.50000112.9P144 V145 A146 A151 E152P144-S148 WeakPolarHBondContact O-CB 3.28Å; P144-S148 PolarHBondContact O-N 3.05Å; P144-S148 PolarHBondContact O-OG 3.04Å; V145-S148 PolarHBondContact O-N 2.95Å; V145-S148 PolarHBondContact O-OG 3.48Å; A146-S148 VanDerWaalsContact C-N 3.33Å; A146-S148 PolarHBondContact O-N 3.26Å; S148-A151 WeakPolarHBondContact O-CB 3.28Å; S148-A151 PolarHBondContact O-N 2.96Å; S148-E152 WeakPolarHBondContact O-CG 3.43Å; S148-E152 PolarHBondContact O-N 3.43Å
149E87.2Confident84.3Confident117 Ų117100 Ų10055%0.54754%0.535SS..Hα-helixtrans-64.9-41.8177.3-172178.6179.900111.4V145 A146 A151 E152 L153V145-E149 PolarHBondContact O-N 3.13Å; A146-E149 PolarHBondContact O-N 2.98Å; E149-A151 VanDerWaalsContact C-N 3.32Å; E149-A151 PolarHBondContact O-N 2.78Å; E149-E152 PolarHBondContact O-N 2.84Å; E149-L153 HydrophobicContact CG-CD1 4.42Å; E149-L153 WeakPolarHBondContact O-CB 3.47Å; E149-L153 WeakPolarHBondContact O-CG 3.44Å; E149-L153 PolarHBondContact O-N 3.5Å
150I85.6Confident83Confident109 Ų10997.6 Ų97.656%0.55953%0.53SS*.Hα-helixtrans-63.7-39.6175.4-67.3165.9000111.1A146 S154A146-I150 VanDerWaalsContact O-CG1 3.28Å; A146-I150 WeakPolarHBondContact O-CG1 3.35Å; A146-I150 PolarHBondContact O-N 2.89Å; I150-S154 WeakPolarHBondContact O-CB 3.41Å; I150-S154 PolarHBondContact O-N 3.11Å; I150-S154 PolarHBondContact O-OG 3.48Å
151A85.7Confident81.7Confident55 Ų5596.6 Ų96.646%0.45553%0.531SS..Hα-helixtrans-64.1-44176.600000111.5E147 S148 E149 S154 V155E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 3.36Å; S148-A151 WeakPolarHBondContact O-CB 3.28Å; S148-A151 PolarHBondContact O-N 2.96Å; E149-A151 VanDerWaalsContact C-N 3.32Å; E149-A151 PolarHBondContact O-N 2.78Å; A151-S154 WeakPolarHBondContact O-CB 3.44Å; A151-S154 PolarHBondContact O-N 3.16Å; A151-V155 WeakPolarHBondContact O-CG2 3.44Å; A151-V155 PolarHBondContact O-N 3.41Å; A151-V155 VanDerWaalsContact O-N 3.09Å
152E83.4Confident80.4Confident145 Ų14597.3 Ų97.368%0.67854%0.539SS*.Hα-helixtrans-63.7-44.6176.9-73.9-173.4174.300112.5S148 E149 S154 V155 H156S148-E152 WeakPolarHBondContact O-CG 3.43Å; S148-E152 PolarHBondContact O-N 3.43Å; E149-E152 PolarHBondContact O-N 2.84Å; E152-S154 VanDerWaalsContact C-N 3.25Å; E152-S154 PolarHBondContact O-N 3.33Å; E152-V155 PolarHBondContact O-N 3.49Å; E152-H156 PolarHBondContact O-N 3.45Å
153L81Confident78.8Confident111 Ų111103.3 Ų103.358%0.58155%0.553SS**Hα-helixtrans-62.1-35175.9-71.3175.3000112.1E149 H156 R157E149-L153 HydrophobicContact CG-CD1 4.42Å; E149-L153 WeakPolarHBondContact O-CB 3.47Å; E149-L153 WeakPolarHBondContact O-CG 3.44Å; E149-L153 PolarHBondContact O-N 3.5Å; L153-H156 PolarHBondContact O-N 3.21Å; L153-R157 WeakPolarHBondContact O-CB 3.23Å; L153-R157 PolarHBondContact O-N 3.42Å
154S81.1Confident77.2Confident62 Ų62107.4 Ų107.443%0.43457%0.566SS.*Hα-helixtrans-66-44.3176.5-60.70000111.4I150 A151 E152 H156 R157 E158I150-S154 WeakPolarHBondContact O-CB 3.41Å; I150-S154 PolarHBondContact O-N 3.11Å; I150-S154 PolarHBondContact O-OG 3.48Å; A151-S154 WeakPolarHBondContact O-CB 3.44Å; A151-S154 PolarHBondContact O-N 3.16Å; E152-S154 VanDerWaalsContact C-N 3.25Å; E152-S154 PolarHBondContact O-N 3.33Å; S154-H156 VanDerWaalsContact C-N 3.34Å; S154-H156 PolarHBondContact O-N 3.3Å; S154-R157 PolarHBondContact O-N 2.96Å; S154-E158 PolarHBondContact O-N 2.77Å
155V80.7Confident75.4Confident92 Ų92109.3 Ų109.356%0.55858%0.581SS**Hα-helixtrans-62.6-40.9175.1174.80000111.3A151 E152 E158 S159A151-V155 WeakPolarHBondContact O-CG2 3.44Å; A151-V155 PolarHBondContact O-N 3.41Å; A151-V155 VanDerWaalsContact O-N 3.09Å; E152-V155 PolarHBondContact O-N 3.49Å; V155-E158 PolarHBondContact O-N 3.19Å; V155-S159 WeakPolarHBondContact O-CB 3.34Å; V155-S159 PolarHBondContact O-N 3.47Å; V155-S159 PolarHBondContact O-OG 2.94Å
156H72.4Confident73.6Confident133 Ų133111.1 Ų111.162%0.61659%0.587SS**Hα-helixtrans-66.3-39177.4-168.6-53.3000111.7E152 L153 S154 S159 A160E152-H156 PolarHBondContact O-N 3.45Å; L153-H156 PolarHBondContact O-N 3.21Å; S154-H156 VanDerWaalsContact C-N 3.34Å; S154-H156 PolarHBondContact O-N 3.3Å; H156-S159 PolarHBondContact O-N 2.98Å; H156-A160 WeakPolarHBondContact O-CB 3.46Å; H156-A160 PolarHBondContact O-N 2.91Å
157R74.1Confident71.8Confident166 Ų166115.9 Ų115.963%0.62660%0.602SS**Hα-helixtrans-63.8-45.4177.4-175.6-179.9177.6-170.8-0.7111.5L153 S154 S159 A160 L161L153-R157 WeakPolarHBondContact O-CB 3.23Å; L153-R157 PolarHBondContact O-N 3.42Å; S154-R157 PolarHBondContact O-N 2.96Å; R157-S159 VanDerWaalsContact C-N 3.34Å; R157-A160 PolarHBondContact O-N 3.41Å; R157-L161 HydrophobicContact CG-CD1 4.46Å; R157-L161 WeakPolarHBondContact O-CG 3.49Å; R157-L161 PolarHBondContact O-N 3.17Å; R157-L161 VanDerWaalsContact O-N 3.13Å
158E70.2Confident70.1Confident139 Ų139116.4 Ų116.465%0.6561%0.608SS**Hα-helixtrans-62.9-42.5175.4-71.3-170.7168.200111.3S154 V155 A160 L161 C162S154-E158 PolarHBondContact O-N 2.77Å; V155-E158 PolarHBondContact O-N 3.19Å; E158-A160 VanDerWaalsContact C-N 3.29Å; E158-A160 PolarHBondContact O-N 3.35Å; E158-L161 PolarHBondContact O-N 3.02Å; E158-L161 VanDerWaalsContact O-N 3.16Å; E158-C162 WeakPolarHBondContact O-CB 3.42Å; E158-C162 PolarHBondContact O-N 2.83Å; E158-C162 PolarHBondContact O-SG 2.75Å
159S66.9Low68.5Low70 Ų70116.8 Ų116.849%0.4961%0.61SS.*Hα-helixtrans-61.3-36.1176.3-60.30000112.9V155 H156 R157 C162 R163V155-S159 WeakPolarHBondContact O-CB 3.34Å; V155-S159 PolarHBondContact O-N 3.47Å; V155-S159 PolarHBondContact O-OG 2.94Å; H156-S159 PolarHBondContact O-N 2.98Å; R157-S159 VanDerWaalsContact C-N 3.34Å; S159-C162 PolarHBondContact O-N 3.22Å; S159-R163 PolarHBondContact O-N 3.25Å
160A62.4Low66.9Low50 Ų50118.2 Ų118.241%0.41362%0.616SS.*Hα-helixtrans-69.6-36.9176.600000112.2H156 R157 E158 R163H156-A160 WeakPolarHBondContact O-CB 3.46Å; H156-A160 PolarHBondContact O-N 2.91Å; R157-A160 PolarHBondContact O-N 3.41Å; E158-A160 VanDerWaalsContact C-N 3.29Å; E158-A160 PolarHBondContact O-N 3.35Å; A160-R163 PolarHBondContact O-N 3.1Å
161L61.8Low65.4Low135 Ų135116.4 Ų116.471%0.70761%0.61SS**Hα-helixtrans-75.4-27.9176.4-67.5172.4000112.5R157 E158 R163R157-L161 HydrophobicContact CG-CD1 4.46Å; R157-L161 WeakPolarHBondContact O-CG 3.49Å; R157-L161 PolarHBondContact O-N 3.17Å; R157-L161 VanDerWaalsContact O-N 3.13Å; E158-L161 PolarHBondContact O-N 3.02Å; E158-L161 VanDerWaalsContact O-N 3.16Å; L161-R163 PolarHBondContact O-N 3.42Å
162C64.3Low63.8Low107 Ų107119.2 Ų119.272%0.72362%0.615SS**THydrogen-bonded Turntrans-77.92.9173-72.10000113.9E158 S159 K164E158-C162 WeakPolarHBondContact O-CB 3.42Å; E158-C162 PolarHBondContact O-N 2.83Å; E158-C162 PolarHBondContact O-SG 2.75Å; S159-C162 PolarHBondContact O-N 3.22Å; C162-K164 PolarHBondContact O-N 3.43Å
163R56Low62.5Low210 Ų210119.8 Ų119.879%0.79262%0.615SS**SBendtrans-65.891163.4-71.3-169.9-179.2-1792.3107.9S159 A160 L161 S165S159-R163 PolarHBondContact O-N 3.25Å; A160-R163 PolarHBondContact O-N 3.1Å; L161-R163 PolarHBondContact O-N 3.42Å; R163-S165 PolarHBondContact O-N 3.45Å
164K56.4Low61.3Low179 Ų179118.6 Ų118.678%0.77861%0.613SS**  trans2.3103.9163.6-169.9172.5-174.1177.30110.8C162 L166C162-K164 PolarHBondContact O-N 3.43Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.48Å
165S54.7Low60Low108 Ų108119 Ų11976%0.75561%0.612SS**  trans-36.5104.5168.2-53.30000107.4R163 E167R163-S165 PolarHBondContact O-N 3.45Å; S165-E167 PolarHBondContact O-N 3.02Å
166L51.8Low58.7Low129 Ų129119.6 Ų119.668%0.67561%0.609SS**  trans-55.2113.6178.6-164.995.4000103.7K164 L168 V171K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.48Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 3Å; L166-V171 HydrophobicContact CD2-CG2 4.08Å
167E51.9Low57.8Low140 Ų140116.7 Ų116.765%0.65461%0.608SS**  trans-58.8105.2-173.7-68.4-168.1172.400106.9S165 P169 E170S165-E167 PolarHBondContact O-N 3.02Å; E167-P169 HydrophobicContact CB-CG 3.63Å; E167-P169 VanDerWaalsContact O-CD 3.26Å; E167-P169 WeakPolarHBondContact O-CD 3.26Å; E167-E170 PolarHBondContact O-N 3.31Å
168L55.1Low56.9Low127 Ų127113 Ų11367%0.66560%0.604SS**THydrogen-bonded Turntrans-43.6-22.9173.2-84.5152.1000115.4L166 E170 V171 M172L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 3Å; L168-E170 PolarHBondContact O-N 3.46Å; L168-V171 PolarHBondContact O-N 3.22Å; L168-M172 PolarHBondContact O-N 3.46Å; L168-M172 VanDerWaalsContact O-N 3.16Å
169P56.1Low56.1Low69 Ų69111.4 Ų111.445%0.44860%0.596SS.*Hα-helixtrans-54-29.9169.415.8-34.6000115.7E167 K173E167-P169 HydrophobicContact CB-CG 3.63Å; E167-P169 VanDerWaalsContact O-CD 3.26Å; E167-P169 WeakPolarHBondContact O-CD 3.26Å; P169-K173 WeakPolarHBondContact O-CG 3.17Å; P169-K173 PolarHBondContact O-N 3.35Å
170E53.5Low55.4Low147 Ų147114.3 Ų114.369%0.68761%0.606SS**Hα-helixtrans-77.7-39.4-177.1-151.4168.5-150.400111.9E167 L168 K173 T174E167-E170 PolarHBondContact O-N 3.31Å; L168-E170 PolarHBondContact O-N 3.46Å; E170-K173 PolarHBondContact O-N 3.43Å; E170-T174 PolarHBondContact O-N 3.37Å
171V53.2Low55.1Low70 Ų70121.7 Ų121.742%0.42462%0.624SS.*Hα-helixtrans-67.9-42.8176.9-1770000110.9L166 L168 K173 T174 V175L166-V171 HydrophobicContact CD2-CG2 4.08Å; L168-V171 PolarHBondContact O-N 3.22Å; V171-K173 VanDerWaalsContact C-N 3.3Å; V171-K173 PolarHBondContact O-N 2.95Å; V171-T174 PolarHBondContact O-N 3.42Å; V171-T174 PolarHBondContact O-OG1 2.78Å; V171-V175 PolarHBondContact O-N 3.37Å
172M53.2Low54.8Low115 Ų115120.4 Ų120.457%0.56762%0.621SS**Hα-helixtrans-64.1-33179.3-75.2-163.284.100113.2L168 T174 V175 H176L168-M172 PolarHBondContact O-N 3.46Å; L168-M172 VanDerWaalsContact O-N 3.16Å; M172-T174 VanDerWaalsContact C-N 3.33Å; M172-T174 PolarHBondContact O-N 3.05Å; M172-V175 PolarHBondContact O-N 3.32Å; M172-H176 PolarHBondContact O-CD2 2.75Å; M172-H176 VanDerWaalsContact O-CD2 3.27Å; M172-H176 PolarHBondContact O-N 3.46Å
173K55.2Low54.4Low157 Ų157125.2 Ų125.268%0.68363%0.625SS**Hα-helixtrans-65.2-36.5175.9-75.6175-176.4177.60112.4P169 E170 V171 A177P169-K173 WeakPolarHBondContact O-CG 3.17Å; P169-K173 PolarHBondContact O-N 3.35Å; E170-K173 PolarHBondContact O-N 3.43Å; V171-K173 VanDerWaalsContact C-N 3.3Å; V171-K173 PolarHBondContact O-N 2.95Å; K173-A177 PolarHBondContact O-N 3.16Å
174T56.2Low54.3Low86 Ų86122.3 Ų122.353%0.52863%0.625SS.*Hα-helixtrans-69.3-33.517858.80000112.9E170 V171 M172 T178E170-T174 PolarHBondContact O-N 3.37Å; V171-T174 PolarHBondContact O-N 3.42Å; V171-T174 PolarHBondContact O-OG1 2.78Å; M172-T174 VanDerWaalsContact C-N 3.33Å; M172-T174 PolarHBondContact O-N 3.05Å; T174-T178 PolarHBondContact O-N 2.89Å
175V54.9Low53.9Low69 Ų69117.1 Ų117.142%0.41861%0.612SS.*Hα-helixtrans-65.4-47.5177.21780000110.7V171 M172 A177 T178 E179V171-V175 PolarHBondContact O-N 3.37Å; M172-V175 PolarHBondContact O-N 3.32Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.33Å; V175-T178 PolarHBondContact O-N 3.18Å; V175-T178 VanDerWaalsContact O-N 3.1Å; V175-T178 PolarHBondContact O-OG1 3.43Å; V175-E179 PolarHBondContact O-N 2.74Å
176H51.4Low53.6Low106 Ų106116.4 Ų116.449%0.49161%0.607SS.*Hα-helixtrans-66.2-32.4-179.4-68.5-49.5000113.7M172 T178 E179M172-H176 PolarHBondContact O-CD2 2.75Å; M172-H176 VanDerWaalsContact O-CD2 3.27Å; M172-H176 PolarHBondContact O-N 3.46Å; H176-T178 PolarHBondContact O-N 3.05Å; H176-E179 IonicContact ND1-OE2 3.31Å; H176-E179 PolarHBondContact ND1-OE2 3.42Å; H176-E179 PolarHBondContact O-N 3.23Å
177A54.9Low53.5Low71 Ų71117.3 Ų117.359%0.58761%0.611SS**Hα-helixtrans-67.4-24.5175.100000113.2K173 V175K173-A177 PolarHBondContact O-N 3.16Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.33Å
178T54.1Low53.4Low89 Ų89116.7 Ų116.755%0.54661%0.612SS.*Hα-helixtrans-85.7-29176.356.60000113.5T174 V175 H176 R181T174-T178 PolarHBondContact O-N 2.89Å; V175-T178 PolarHBondContact O-N 3.18Å; V175-T178 VanDerWaalsContact O-N 3.1Å; V175-T178 PolarHBondContact O-OG1 3.43Å; H176-T178 PolarHBondContact O-N 3.05Å; T178-R181 PolarHBondContact O-N 2.8Å
179E53.8Low53.1Low106 Ų106116.3 Ų116.350%0.49562%0.617SS.*Hα-helixtrans-67.2-42.1178.8-75.6178.5150.600112.4V175 H176 R181 V182 Y183V175-E179 PolarHBondContact O-N 2.74Å; H176-E179 IonicContact ND1-OE2 3.31Å; H176-E179 PolarHBondContact ND1-OE2 3.42Å; H176-E179 PolarHBondContact O-N 3.23Å; E179-R181 PolarHBondContact O-N 2.71Å; E179-V182 PolarHBondContact O-N 3.39Å; E179-Y183 PolarHBondContact O-N 2.75Å
180D53.2Low52.6Low130 Ų130116.7 Ų116.770%0.69563%0.626SS**Hα-helixtrans-61.5-31.8179-99.1-1.5000112.4V182D180-V182 VanDerWaalsContact C-N 3.32Å; D180-V182 PolarHBondContact O-N 2.83Å
181R54.7Low52.3Low206 Ų206118.5 Ų118.578%0.77764%0.635SS**Hα-helixtrans-76-21.5-177.8-138.8175.8176.2-166.6-2.5113.3T178 E179 S185T178-R181 PolarHBondContact O-N 2.8Å; E179-R181 PolarHBondContact O-N 2.71Å; R181-S185 PolarHBondContact O-OG 3.22Å; R181-S185 VanDerWaalsContact O-OG 3.05Å
182V56.6Low51.9Low107 Ų107120.5 Ų120.565%0.64865%0.647SS**Hα-helixtrans-83.2-31.4178.4-179.40000111E179 D180 S185E179-V182 PolarHBondContact O-N 3.39Å; D180-V182 VanDerWaalsContact C-N 3.32Å; D180-V182 PolarHBondContact O-N 2.83Å; V182-S185 PolarHBondContact O-N 2.87Å
183Y54.5Low51.5Low208 Ų208119 Ų11982%0.81665%0.653SS**Hα-helixtrans-72.4-31.2179.6-95.2-82.1000114.2E179 S185E179-Y183 PolarHBondContact O-N 2.75Å; Y183-S185 VanDerWaalsContact C-N 3.31Å
184D54.5Low51Low149 Ų149119.8 Ų119.880%0.79766%0.657SS**SBendtrans-81.8-11.8175.9-90.7-10.5000113.8S186D184-S186 PolarHBondContact O-N 3.39Å
185S49.4Very low50.5Low70 Ų70120.8 Ų120.849%0.4967%0.667SS.*  trans-77.777.4170.7-58.50000108R181 V182 Y183 I187R181-S185 PolarHBondContact O-OG 3.22Å; R181-S185 VanDerWaalsContact O-OG 3.05Å; V182-S185 PolarHBondContact O-N 2.87Å; Y183-S185 VanDerWaalsContact C-N 3.31Å; S185-I187 PolarHBondContact O-N 3.1Å
186S47.8Very low50.3Low93 Ų93123.6 Ų123.665%0.6568%0.684SS**  trans-58.595158.666.60000106.4D184 N188D184-S186 PolarHBondContact O-N 3.39Å; S186-N188 PolarHBondContact O-N 3.35Å
187I49.7Very low49.7Very low148 Ų148126.7 Ų126.776%0.75970%0.699SS**  trans-65.290.1171.4-65.4164.9000103.6S185 P189S185-I187 PolarHBondContact O-N 3.1Å; I187-P189 WeakPolarHBondContact O-CD 3.33Å; I187-P189 VanDerWaalsContact O-N 3.12Å
188N49.1Very low49.3Very low128 Ų128127.5 Ų127.568%0.68471%0.706SS**  trans-54.1117.8160.8-76-45.5000104.9S186 A190S186-N188 PolarHBondContact O-N 3.35Å; N188-A190 PolarHBondContact O-N 3.27Å
189P49.9Very low48.4Very low119 Ų119132.5 Ų132.577%0.77372%0.723SS**  trans-73.263.2174.131.5-33.3000108.1I187 E191I187-P189 WeakPolarHBondContact O-CD 3.33Å; I187-P189 VanDerWaalsContact O-N 3.12Å; P189-E191 VanDerWaalsContact C-N 3.25Å; P189-E191 PolarHBondContact O-N 3.36Å
190A45.5Very low47.9Very low77 Ų77136 Ų13664%0.63674%0.736SS**  trans-77.287.6168.300000106.5N188 T192N188-A190 PolarHBondContact O-N 3.27Å; A190-T192 PolarHBondContact O-N 3.47Å
191E46Very low47.8Very low185 Ų185136.9 Ų136.986%0.86474%0.741SS**  trans25.571.6141.7-60.7-175.1156.800115.2P189 A193P189-E191 VanDerWaalsContact C-N 3.25Å; P189-E191 PolarHBondContact O-N 3.36Å; E191-A193 PolarHBondContact O-N 3.27Å
192T45.6Very low47.8Very low111 Ų111131.1 Ų131.168%0.68175%0.746SS**  trans-77.375.516315.20000107.8A190 F194A190-T192 PolarHBondContact O-N 3.47Å; T192-F194 VanDerWaalsContact C-N 3.29Å; T192-F194 HydrophobicContact CG2-CE2 4Å; T192-F194 HydrophobicContact CG2-CZ 4.03Å; T192-F194 WeakPolarHBondContact O-CD2 3.42Å; T192-F194 PolarHBondContact O-N 3.33Å
193A45.4Very low47.5Very low85 Ų85134.9 Ų134.970%0.70275%0.754SS**  trans-7286169.800000108.8E191 S195E191-A193 PolarHBondContact O-N 3.27Å; A193-S195 PolarHBondContact O-N 3.44Å
194F43Very low47.2Very low173 Ų173134.3 Ų134.376%0.75976%0.756SS**  trans-68102.8170-67.7-81.4000109T192 V196T192-F194 VanDerWaalsContact C-N 3.29Å; T192-F194 HydrophobicContact CG2-CE2 4Å; T192-F194 HydrophobicContact CG2-CZ 4.03Å; T192-F194 WeakPolarHBondContact O-CD2 3.42Å; T192-F194 PolarHBondContact O-N 3.33Å; F194-V196 PolarHBondContact O-N 3.18Å
195S46.8Very low46.8Very low106 Ų106132.9 Ų132.974%0.74175%0.752SS**  trans-78.6102.1169.2-67.40000108.3A193 E197A193-S195 PolarHBondContact O-N 3.44Å; S195-E197 PolarHBondContact O-N 3.23Å
196V50.6Low46.8Very low128 Ų128135.3 Ų135.378%0.77677%0.766SS**  trans-80.298.4172.6-178.80000107.7F194 A198F194-V196 PolarHBondContact O-N 3.18Å; V196-A198 VanDerWaalsContact C-N 3.33Å; V196-A198 PolarHBondContact O-N 3.45Å
197E38.6Very low46.8Very low171 Ų171140 Ų14080%0.79978%0.775SS**  trans-7387.5170.4-63.7-162.2166.100109.1S195 E199S195-E197 PolarHBondContact O-N 3.23Å; E197-E199 PolarHBondContact O-N 3.41Å
198A46Very low46.9Very low89 Ų89142.2 Ų142.274%0.73678%0.779SS**  trans-82.4101.3168.600000109V196 K200V196-A198 VanDerWaalsContact C-N 3.33Å; V196-A198 PolarHBondContact O-N 3.45Å; A198-K200 PolarHBondContact O-N 3.31Å; A198-K200 VanDerWaalsContact O-N 3.13Å
199E35.9Very low47Very low193 Ų193141.1 Ų141.190%0.90278%0.777SS**  trans-62.7107.7168.8-72.7-168.714100109.9E197E197-E199 PolarHBondContact O-N 3.41Å
200K44.1Very low46.7Very low179 Ų179143.7 Ų143.778%0.77878%0.778SS**  trans-130.8104.7162.6-165.5171.9-179174.90109.6A198A198-K200 PolarHBondContact O-N 3.31Å; A198-K200 VanDerWaalsContact O-N 3.13Å
201N51.2Low46.7Very low149 Ų149148.3 Ų148.380%0.79778%0.784SS**SBendtrans55.364.9167.8-58.9-5.4000115.1K203N201-K203 VanDerWaalsContact C-N 3.32Å; N201-K203 PolarHBondContact O-N 2.77Å
202G54.1Low46.6Very low85 Ų85148.7 Ų148.788%0.87678%0.783SS**SBendtrans70.65.5146.100000118.9
203K49Very low46.7Very low187 Ų187150.9 Ų150.981%0.81379%0.788SS**  trans-132.2105.8171.5-75.3-177.1179177.60111N201 V205N201-K203 VanDerWaalsContact C-N 3.32Å; N201-K203 PolarHBondContact O-N 2.77Å; K203-V205 PolarHBondContact O-N 2.86Å
204K48.3Very low46.5Very low196 Ų196152.1 Ų152.185%0.85279%0.792SS**  trans-66.5109.8178.3-62.8-174.1177.9-166.80110
205V47.2Very low46.6Very low119 Ų119152.2 Ų152.272%0.72180%0.795SS**  trans-128.5111.9163-174.60000108.1K203 K207K203-V205 PolarHBondContact O-N 2.86Å; V205-K207 PolarHBondContact O-N 3.4Å
206P48.7Very low46.5Very low121 Ų121152.9 Ų152.979%0.78680%0.8SS**  trans-69.9114.6-177.326.2-31.7000110.2
207K49.2Very low46Very low192 Ų192151.7 Ų151.784%0.83580%0.797SS**  trans-92.9108.2168.2-79.9-175.4176.8178.10108.9V205 V209V205-K207 PolarHBondContact O-N 3.4Å; K207-V209 PolarHBondContact O-N 3.46Å
208K51.7Low46.1Very low194 Ų194150.1 Ų150.184%0.84380%0.799SS**  trans-72.5114.4169.3-69.2-177.4177.9-175.90108.6
209V51Low45.8Very low105 Ų105153 Ų15364%0.63680%0.8SS**  trans-97.7113.4172.2-176.10000107.7K207 F211K207-V209 PolarHBondContact O-N 3.46Å; V209-F211 HydrophobicContact CB-CE2 4.11Å; V209-F211 HydrophobicContact CG1-CD2 4.04Å; V209-F211 HydrophobicContact CG1-CE1 4.47Å; V209-F211 HydrophobicContact CG1-CE2 3.5Å; V209-F211 VanDerWaalsContact CG1-CE2 3.5Å; V209-F211 HydrophobicContact CG1-CZ 3.75Å
210H43.7Very low45.9Very low173 Ų173147.4 Ų147.480%0.80179%0.787SS**  trans-85113.4173.7-102.8-75.5000109.3
211F44.7Very low45.6Very low173 Ų173145 Ų14576%0.75979%0.79SS**  trans-91.7118.9166.2-69.9-84.5000108.7V209V209-F211 HydrophobicContact CB-CE2 4.11Å; V209-F211 HydrophobicContact CG1-CD2 4.04Å; V209-F211 HydrophobicContact CG1-CE1 4.47Å; V209-F211 HydrophobicContact CG1-CE2 3.5Å; V209-F211 VanDerWaalsContact CG1-CE2 3.5Å; V209-F211 HydrophobicContact CG1-CZ 3.75Å
212K43.3Very low45.1Very low193 Ų193143.5 Ų143.584%0.83979%0.791SS**  trans-94.5113.4166.1-74.5-174.3177.6-176.60107.3S214K212-S214 PolarHBondContact O-N 3.22Å
213I49.1Very low44.4Very low157 Ų157143.8 Ų143.881%0.80579%0.785SS**  trans-80111171.8-57170.8000106.1E215I213-E215 PolarHBondContact O-N 3.14Å
214S41.1Very low43.9Very low112 Ų112140.3 Ų140.378%0.78378%0.782SS**  trans-77.9106.4170.6-59.20000108.3K212K212-S214 PolarHBondContact O-N 3.22Å
215E44.1Very low43.5Very low174 Ų174137 Ų13781%0.81378%0.78SS**  trans-61.7145.6168.5-66.3177.2167.800109.8I213I213-E215 PolarHBondContact O-N 3.14Å
216S46Very low43.3Very low121 Ų121141.2 Ų141.285%0.84679%0.789SS**  trans9078173.278.40000118.2
217S40.1Very low43Very low103 Ų103144.6 Ų144.672%0.7279%0.794SS**  trans-139.269.5139.9-165.20000108.8I219S217-I219 VanDerWaalsContact C-N 3.34Å; S217-I219 PolarHBondContact O-N 3.02Å; S217-I219 VanDerWaalsContact O-N 3.17Å
218V40.8Very low42.5Very low138 Ų138145.7 Ų145.784%0.83680%0.799SS**  trans-78.292.8165.6179.40000105.9A220V218-A220 VanDerWaalsContact C-N 3.33Å; V218-A220 PolarHBondContact O-N 3.18Å
219I38.3Very low42Very low148 Ų148146.5 Ų146.576%0.75980%0.802SS**  trans-71.694.8171.2-61.8168.3000106.4S217S217-I219 VanDerWaalsContact C-N 3.34Å; S217-I219 PolarHBondContact O-N 3.02Å; S217-I219 VanDerWaalsContact O-N 3.17Å
220A38.9Very low41Very low76 Ų76144.6 Ų144.663%0.62880%0.804SS**PPolyproline II helixtrans-63.6135.5172.500000109.7V218 S222V218-A220 VanDerWaalsContact C-N 3.33Å; V218-A220 PolarHBondContact O-N 3.18Å; A220-S222 PolarHBondContact O-N 3.11Å
221P38.4Very low40.5Very low128 Ų128147 Ų14783%0.83181%0.813SS**PPolyproline II helixtrans-64.3127.9-174.723.4-31.3000111.3A223P221-A223 PolarHBondContact O-N 3.44Å
222S39.9Very low39.9Very low119 Ų119142.3 Ų142.383%0.83281%0.813SS**PPolyproline II helixtrans-58.3127.3-175.655.30000112.8A220A220-S222 PolarHBondContact O-N 3.11Å
223A38.3Very low39.5Very low91 Ų91144.6 Ų144.675%0.75282%0.816SS**PPolyproline II helixtrans-59.8150.5175.400000113.4P221P221-A223 PolarHBondContact O-N 3.44Å
224P38.7Very low39.1Very low113 Ų113145 Ų14573%0.73482%0.82SS**PPolyproline II helixtrans-70.1152.3-171.125.3-32000114.2K226P224-K226 PolarHBondContact O-N 3.03Å
225P40.6Very low39Very low127 Ų127149.5 Ų149.583%0.82583%0.826SS**PPolyproline II helixtrans-69.7122.4-164.526.3-33.5000112.9Q227P225-Q227 PolarHBondContact O-N 2.96Å
226K43.3Very low38.5Very low208 Ų208145.7 Ų145.790%0.90482%0.824SS**PPolyproline II helixtrans-68.6124176.5-70.4-177.5177.2177.90111P224P224-K226 PolarHBondContact O-N 3.03Å
227Q42.7Very low38.2Very low191 Ų191146.9 Ų146.989%0.89383%0.827SS**PPolyproline II helixtrans-59.9129.7175-67.7177-40.700111.5P225 K229P225-Q227 PolarHBondContact O-N 2.96Å; Q227-K229 PolarHBondContact O-N 2.98Å
228K38.4Very low37.8Very low215 Ų215148.8 Ų148.894%0.93583%0.834SS**  trans-65.4108.2171.6-86.1178.9171.81750110
229K40.3Very low37.3Very low211 Ų211146 Ų14692%0.91783%0.832SS**  trans-99.3110.1155.4-106.9-179.5178.1177.30108.3Q227Q227-K229 PolarHBondContact O-N 2.98Å
230G31.1Very low37Very low66 Ų66142.7 Ų142.768%0.6884%0.835SS**  trans-83.1160.7173.400000112.6
231F32.2Very low36.6Very low224 Ų224147 Ų14798%0.98285%0.847SS**  trans75.7110.8166-88.8-92.6000119.6
232G33.5Very low36.5Very low74 Ų74148.2 Ų148.276%0.76384%0.842SS**  trans164.277.6162.800000112N234G232-N234 PolarHBondContact O-N 2.88Å
233R34.2Very low36.6Very low240 Ų240150.5 Ų150.591%0.90684%0.837SS**  trans-53.8129161.9-84.4177.7178.3166-0.1107.8
234N40.8Very low36.6Very low165 Ų165155.5 Ų155.588%0.88285%0.845SS**  trans-158.4145.8143.5-86.9-26000110.5G232G232-N234 PolarHBondContact O-N 2.88Å
235K38.5Very low36.7Very low208 Ų208159.7 Ų159.790%0.90485%0.851SS**  trans-69.8156.9-161.3-70.6176.8174.9179.60113.9
236A34.1Very low36.8Very low94 Ų94164.8 Ų164.878%0.77786%0.856SS**  trans-52138.5173.400000114.5
237T39.8Very low36.6Very low146 Ų146158 Ų15890%0.89685%0.845SS**  trans-144.5128.9138.521.40000109.4
238T31.9Very low36.7Very low143 Ų143159 Ų15988%0.87785%0.846SS**  trans-80.5144.8-174.1-47.70000111.4
239G29.3Very low37.2Very low78 Ų78155.9 Ų155.980%0.80484%0.838SS**  trans103.3118146.500000116.3
240G31.9Very low37.1Very low79 Ų79149.1 Ų149.181%0.81483%0.829SS**  trans160.365.916700000114E242G240-E242 PolarHBondContact O-N 3.39Å
241N31.4Very low37.8Very low166 Ų166152.1 Ų152.189%0.88883%0.829SS**  trans-56.8122.8162.2-89.8-25.2000109.5
242E36.2Very low38.6Very low154 Ų154146.6 Ų146.672%0.7282%0.818SS**  trans-164.6114.5140.3-113.7-176146.300113.9G240G240-E242 PolarHBondContact O-N 3.39Å
243K41.2Very low39.1Very low168 Ų168154 Ų15473%0.7382%0.823SS**  trans5788.2140.8-66.3169.3-174.51550117.9K245K243-K245 PolarHBondContact O-N 3.2Å
244H38.4Very low39.7Very low196 Ų196154 Ų15491%0.90782%0.823SS**  trans-65.9102.7154.1-78.4-56.3000110.5
245K42Very low39.6Very low200 Ų200153.6 Ų153.687%0.8782%0.816SS**  trans-64.6129.1164.4-96.6-179.5174.8177.40109.7K243 G247K243-K245 PolarHBondContact O-N 3.2Å; K245-G247 PolarHBondContact O-N 3.21Å; K245-G247 VanDerWaalsContact O-N 3.1Å
246Y41.9Very low39.7Very low234 Ų234151.7 Ų151.792%0.91881%0.811SS**  trans-52.5106.2168.2-68.2-94.3000111.3
247G39.5Very low40.1Very low66 Ų66152 Ų15268%0.6881%0.807SS**  trans-87.598.5165.300000109.4K245 I249K245-G247 PolarHBondContact O-N 3.21Å; K245-G247 VanDerWaalsContact O-N 3.1Å; G247-I249 PolarHBondContact O-N 3.34Å
248K44.9Very low40.4Very low211 Ų211153 Ų15392%0.91781%0.807SS**  trans-58.2103.5166-107.4174.5174.3177.20108.5G250K248-G250 PolarHBondContact O-N 3.38Å
249I47.2Very low41.1Very low151 Ų151157.9 Ų157.977%0.77483%0.826SS**  trans-82.795.6166.6-62.1167.5000106G247 N251G247-I249 PolarHBondContact O-N 3.34Å; I249-N251 PolarHBondContact O-N 3.08Å
250G39.9Very low41.7Very low69 Ų69161.9 Ų161.971%0.71183%0.827SS**  trans-74.9109.1171.100000109.5K248 S252K248-G250 PolarHBondContact O-N 3.38Å; G250-S252 PolarHBondContact O-N 3.25Å; G250-S252 VanDerWaalsContact O-N 3.08Å
251N44.4Very low42.3Very low129 Ų129166.3 Ų166.369%0.6983%0.828SS**  trans-75.590.4170.3-71.3-12.3000109I249 W253I249-N251 PolarHBondContact O-N 3.08Å; N251-W253 PolarHBondContact O-N 3.06Å
252S49.8Very low42.9Very low108 Ų108166.3 Ų166.376%0.75583%0.825SS**  trans-85.288.2170.1162.10000109.4G250 R254G250-S252 PolarHBondContact O-N 3.25Å; G250-S252 VanDerWaalsContact O-N 3.08Å; S252-R254 PolarHBondContact O-N 3.1Å
253W43.3Very low43.2Very low229 Ų229167 Ų16787%0.86783%0.831SS**  trans-77.897.2164.7-7488.1000108.7N251 Q255N251-W253 PolarHBondContact O-N 3.06Å; W253-Q255 PolarHBondContact O-N 3.07Å
254R46.5Very low43.4Very low240 Ų240166.9 Ų166.991%0.90684%0.837SS**  trans-7993.4170.8-162.8-176.3-127.9-148.91.5107.7S252S252-R254 PolarHBondContact O-N 3.1Å
255Q38.8Very low43.7Very low157 Ų157165 Ų16573%0.73483%0.833SS**  trans-83163162.3-78.5-171.6-17.600110.3W253W253-Q255 PolarHBondContact O-N 3.07Å
256Q40.8Very low43.8Very low168 Ų168162.5 Ų162.579%0.78583%0.83SS**  trans86.5100.7164.6-61.9-176.2-9.800114
257S43Very low44Very low100 Ų100157 Ų15770%0.69982%0.823SS**  106.294.462.257.80000107.2
258N46.9Very low44.4Very low167 Ų167164.6 Ų164.689%0.89384%0.835SS**  trans-104.4109.9164.4-76.7-14000107.1
259L46.9Very low44.3Very low246 Ų246160.4 Ų160.4100%1.28883%0.828SS**  trans-46.80145.9-75.3149.1000110.7

Retrieved 259 of 259 residues in 121.8 ms (Link to these results)