A0A087Y5N7_POEFO Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y5N7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 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
1M29.8Very low33.7Very low242 Ų242153.2 Ų153.2100%1.19285%0.853SS**  0146.30-68.5163.185.900108.5
2K31.4Very low33.5Very low207 Ų207154.2 Ų154.290%0.985%0.854SS**  trans59.9140.6175.1-70.6-173.5173.8-178.90118.1
3P49Very low33.3Very low134 Ų134151.6 Ų151.687%0.8785%0.845SS**  trans-109-177.2174.642.6-35.1000112.7
4G27.1Very low33.1Very low79 Ų79154.8 Ų154.881%0.81485%0.846SS**  trans17290.8161.800000113.6
5A35.8Very low32.9Very low89 Ų89152.7 Ų152.774%0.73684%0.839SS**  trans-155.8150.9176.500000113.7
6N32.3Very low32.5Very low151 Ų151150.4 Ų150.481%0.80784%0.836SS**  trans71.4102.4154-58.7-8.3000120.7
7S33.3Very low32.5Very low101 Ų101150.6 Ų150.671%0.70683%0.829SS**  trans-31.8153.1137.446.10000117.2
8Q32.3Very low32.5Very low188 Ų188150.6 Ų150.688%0.87983%0.826SS**  176.8171.8104.1-88.4-161.528.400112
9H36.6Very low32.5Very low175 Ų175147.3 Ų147.381%0.8182%0.815SS**  trans-72.4150.8178.1-86.4-131.3000113
10F28.4Very low32.5Very low214 Ų214151.8 Ų151.894%0.93982%0.819SS**  -162.2154.3125.9-114.7-75.8000111.6
11S34.8Very low32.2Very low105 Ų105153.9 Ų153.973%0.73483%0.826SS**  trans-92.8141.6-178.4-51.10000112.4
12L31.6Very low32.3Very low165 Ų165150 Ų15086%0.86480%0.802SS**  trans-160.4126.2154.2-102.1175.4000113.1
13V29.9Very low32.2Very low121 Ų121146 Ų14673%0.73380%0.795SS**  trans37.8133.8134.3175.70000122.4
14F30.9Very low31.3Very low196 Ų196146.3 Ų146.386%0.8679%0.785SS**  trans-0.8126.7154.7-79.2-107.7000119.5
15V30.2Very low31.4Very low123 Ų123149.9 Ų149.975%0.74578%0.784SS**  -169.9128.696.9148.60000108.8Q17V15-Q17 HydrophobicContact CG1-CG 4.08Å
16C27.2Very low31.1Very low116 Ų116153 Ų15378%0.78479%0.788SS**  trans-100.694.1175.4-170.60000110.6
17Q32.4Very low31.1Very low154 Ų154154 Ų15472%0.7279%0.788SS**  trans-86.7105.4168-89.3-70.8-0.400109.8V15 S19V15-Q17 HydrophobicContact CG1-CG 4.08Å; Q17-S19 PolarHBondContact O-N 2.98Å
18I32.8Very low30.9Very low151 Ų151155.2 Ų155.277%0.77480%0.795SS**  trans-80.4116.7169.4-62.5177.4000107.6
19S31.2Very low30.9Very low88 Ų88154.7 Ų154.762%0.61579%0.792SS**  trans-147.2125.9176.1-87.60000112.3Q17Q17-S19 PolarHBondContact O-N 2.98Å
20R32.3Very low30.5Very low236 Ų236152.3 Ų152.389%0.89179%0.79SS**  trans58.894.8158-58.7173.9179.5157.5-0.2116.8
21M26.8Very low30.5Very low196 Ų196150.2 Ų150.297%0.96679%0.788SS**  trans-100.7120.9133.3-75.7-177.5169.700107.6
22K31.5Very low30.3Very low160 Ų160152 Ų15270%0.69679%0.789SS**  trans-99119174.9-174.1-167.8-177-164.10106.3E24K22-E24 HydrophobicContact CD-CG 4.34Å; K22-E24 VanDerWaalsContact CE-OE1 3.27Å; K22-E24 WeakPolarHBondContact CE-OE1 3.45Å; K22-E24 IonicContact NZ-OE1 2.77Å; K22-E24 PolarHBondContact NZ-OE1 3.35Å
23V30.1Very low30.2Very low124 Ų124150.9 Ų150.975%0.75279%0.789SS**  trans-90.3110.9173.1-179.10000107.3I25V23-I25 HydrophobicContact CG1-CG1 4.07Å
24E29.8Very low30.2Very low140 Ų140155.9 Ų155.965%0.65480%0.795SS**  trans-91133.9163.3-76.616515500107.6K22K22-E24 HydrophobicContact CD-CG 4.34Å; K22-E24 VanDerWaalsContact CE-OE1 3.27Å; K22-E24 WeakPolarHBondContact CE-OE1 3.45Å; K22-E24 IonicContact NZ-OE1 2.77Å; K22-E24 PolarHBondContact NZ-OE1 3.35Å
25I29.2Very low31Very low155 Ų155151.7 Ų151.780%0.79579%0.787SS**  trans-110.9107.3177.3-61.3177.4000105.3V23V23-I25 HydrophobicContact CG1-CG1 4.07Å
26D30.3Very low30.8Very low154 Ų154152.8 Ų152.882%0.82479%0.789SS**  trans-73.3159.6177.1-95.1-44.8000112.3
27Q32.1Very low30.9Very low172 Ų172156.7 Ų156.780%0.80479%0.793SS**  trans-86.5140.6-169.9-60.9166.9400111.2
28C27.4Very low30.8Very low126 Ų126158 Ų15885%0.85180%0.799SS**  trans-120.5123.8156.1-71.20000108.2
29E32.3Very low30.9Very low178 Ų178156.7 Ų156.783%0.83280%0.8SS**  trans-74.4145-179.4-61.3177.7117.500111.1
30V29.7Very low30.7Very low125 Ų125158.7 Ų158.776%0.75881%0.813SS**  trans-108.2109.7170.6178.30000108.1D32V30-D32 HydrophobicContact CG1-CB 4.47Å
31L27.9Very low31.1Very low170 Ų170153.1 Ų153.189%0.8981%0.81SS**  trans-96.9105.4169.4-83.9167.2000109.3
32D29.8Very low31.6Very low141 Ų141152.5 Ų152.575%0.75481%0.807SS**  trans-110.9111.7-178.7-131.7-11.7000110.2V30V30-D32 HydrophobicContact CG1-CB 4.47Å
33T29.3Very low31.7Very low142 Ų142148.3 Ų148.387%0.87181%0.809SS**  trans-97.298.6170.551.10000110.4
34R31.9Very low32.5Very low227 Ų227147.8 Ų147.886%0.85782%0.818SS**  trans-56.7172.5170.7-78.7-179.1176174.7-1.2114.3
35P46.8Very low33.3Very low107 Ų107143.8 Ų143.870%0.69581%0.814SS**  cis-127.9176.1-9.932.6-14.5000113.8
36D26.9Very low34.1Very low147 Ų147142.3 Ų142.379%0.78681%0.808SS**  -167.1162.4115.9-119.9-27.2000115.1
37F27.5Very low34.8Very low198 Ų198141.6 Ų141.687%0.86880%0.804SS**  trans68.1149.2176.9-82.1-86.6000120.5
38Q32Very low35.4Very low181 Ų181143.8 Ų143.885%0.84681%0.805SS**PPolyproline II helixtrans-95.3155.8-168.4-74175-108.700114.3
39P34.4Very low36.3Very low124 Ų124142.1 Ų142.181%0.80579%0.79SS**PPolyproline II helixtrans-79.9133.6171.232.6-33.8000112.5
40C27.3Very low37.2Very low130 Ų130137.6 Ų137.688%0.87878%0.775SS**PPolyproline II helixtrans-82.2145.8159.4-760000110.3
41S39.8Very low37.9Very low119 Ų119138 Ų13883%0.83277%0.768SS**PPolyproline II helixtrans-76.6139.5-178.648.60000112.9
42M38.1Very low38.7Very low182 Ų182132.5 Ų132.590%0.89775%0.747SS**  trans-127.4138.1157.2-70.7-165.269.600109
43G33.7Very low39.5Very low72 Ų72130.9 Ų130.974%0.74274%0.738SS**  trans-84.8169.9-169.400000114.3G45G43-G45 PolarHBondContact O-N 2.82Å
44A46Very low40.7Very low114 Ų114128.8 Ų128.894%0.94272%0.721SS**SBendtrans-68113.1174.900000111.3
45G47.3Very low41.6Very low56 Ų56122.1 Ų122.158%0.57771%0.708SS**  trans-151.3-46176.400000114.2G43 L47G43-G45 PolarHBondContact O-N 2.82Å; G45-L47 PolarHBondContact O-N 3.28Å
46D45.5Very low41.3Very low123 Ų123123.4 Ų123.466%0.65871%0.707SS**THydrogen-bonded Turntrans-9224-160.7-61.2-59.1000116.9W48D46-W48 VanDerWaalsContact C-N 3.33Å; D46-W48 PolarHBondContact O-N 3.31Å
47L45.9Very low42.4Very low140 Ų140120 Ų12073%0.73369%0.692SS**Hα-helixtrans-67.8-28.6177.8-92.2159.8000113.7G45 V49G45-L47 PolarHBondContact O-N 3.28Å; L47-V49 PolarHBondContact O-N 3.26Å
48W44Very low43.2Very low218 Ų218114.7 Ų114.783%0.82667%0.67SS**Hα-helixtrans-75-20-175.5-82.278.6000115D46D46-W48 VanDerWaalsContact C-N 3.33Å; D46-W48 PolarHBondContact O-N 3.31Å
49V46.8Very low43.8Very low90 Ų90112.3 Ų112.355%0.54566%0.658SS.*Hα-helixtrans-77-32.7-178.7-178.10000111.3L47L47-V49 PolarHBondContact O-N 3.26Å
50V49.7Very low44Very low84 Ų84115 Ų11551%0.50965%0.652SS.*Hα-helixtrans-76.1-44.4-174.7-172.90000111.7A52 L53 I54V50-A52 VanDerWaalsContact C-N 3.3Å; V50-A52 PolarHBondContact O-N 3.28Å; V50-L53 PolarHBondContact O-N 3.27Å; V50-I54 HydrophobicContact CG1-CD1 4.05Å; V50-I54 WeakPolarHBondContact O-CG1 3.21Å; V50-I54 PolarHBondContact O-N 3.16Å; V50-I54 VanDerWaalsContact O-N 3.16Å
51E45.1Very low44.5Very low134 Ų134114 Ų11463%0.62663%0.633SS**Hα-helixtrans-62.2-36.1179.2-66.1-163.7135.200112.9L53 I54 S55E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.27Å; E51-I54 PolarHBondContact O-N 3.05Å; E51-S55 PolarHBondContact O-N 3.27Å
52A45.3Very low44.7Very low54 Ų54113.1 Ų113.145%0.44662%0.622SS.*Hα-helixtrans-61.2-40.9176.800000112.4V50 S55 M56V50-A52 VanDerWaalsContact C-N 3.3Å; V50-A52 PolarHBondContact O-N 3.28Å; A52-S55 PolarHBondContact O-N 2.92Å; A52-M56 WeakPolarHBondContact O-CG 3.36Å; A52-M56 PolarHBondContact O-N 2.84Å; A52-M56 VanDerWaalsContact O-N 3.07Å
53L45.9Very low44.6Very low106 Ų106113.6 Ų113.656%0.55561%0.614SS**Hα-helixtrans-71.4-35.8178.7-67.4170000112.1V50 E51 M56 T57V50-L53 PolarHBondContact O-N 3.27Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.27Å; L53-M56 PolarHBondContact O-N 3.5Å; L53-T57 PolarHBondContact O-N 3.01Å; L53-T57 VanDerWaalsContact O-N 3.16Å; L53-T57 PolarHBondContact O-OG1 2.87Å
54I55.8Low44.8Very low99 Ų99114.9 Ų114.951%0.50860%0.604SS.*Hα-helixtrans-64.6-46.3172.8-65.4168.3000110.2V50 E51 M56 T57 E58V50-I54 HydrophobicContact CG1-CD1 4.05Å; V50-I54 WeakPolarHBondContact O-CG1 3.21Å; V50-I54 PolarHBondContact O-N 3.16Å; V50-I54 VanDerWaalsContact O-N 3.16Å; E51-I54 PolarHBondContact O-N 3.05Å; I54-M56 VanDerWaalsContact C-N 3.3Å; I54-M56 PolarHBondContact O-N 2.86Å; I54-T57 PolarHBondContact O-N 3.14Å; I54-T57 PolarHBondContact O-OG1 3.44Å; I54-E58 PolarHBondContact O-N 3.42Å
55S49.3Very low44.3Very low86 Ų86114 Ų11460%0.60159%0.591SS**Hα-helixtrans-62.2-34.9177.1-173.60000113.1E51 A52 H59E51-S55 PolarHBondContact O-N 3.27Å; A52-S55 PolarHBondContact O-N 2.92Å; S55-H59 PolarHBondContact O-N 2.74Å
56M41Very low43.6Very low134 Ų134122.4 Ų122.466%0.6661%0.606SS**Hα-helixtrans-71-35177.8-77.6177.657.500113.1A52 L53 I54 W60A52-M56 WeakPolarHBondContact O-CG 3.36Å; A52-M56 PolarHBondContact O-N 2.84Å; A52-M56 VanDerWaalsContact O-N 3.07Å; L53-M56 PolarHBondContact O-N 3.5Å; I54-M56 VanDerWaalsContact C-N 3.3Å; I54-M56 PolarHBondContact O-N 2.86Å; M56-W60 PolarHBondContact O-N 3.11Å
57T49.1Very low43Very low76 Ų76122 Ų12247%0.46661%0.609SS.*Hα-helixtrans-75.5-37.9-178.544.70000112.7L53 I54 W60 K61L53-T57 PolarHBondContact O-N 3.01Å; L53-T57 VanDerWaalsContact O-N 3.16Å; L53-T57 PolarHBondContact O-OG1 2.87Å; I54-T57 PolarHBondContact O-N 3.14Å; I54-T57 PolarHBondContact O-OG1 3.44Å; T57-W60 WeakPolarHBondContact O-CB 3.39Å; T57-W60 PolarHBondContact O-N 3.49Å; T57-K61 PolarHBondContact O-N 3.03Å; T57-K61 VanDerWaalsContact O-N 3.17Å
58E45.8Very low42.5Very low87 Ų87125.3 Ų125.341%0.40762%0.618SS.*Hα-helixtrans-69.5-32.9174.5-66.8-50.5127.700113.3I54 W60 K61 T62I54-E58 PolarHBondContact O-N 3.42Å; E58-W60 PolarHBondContact O-N 2.88Å; E58-K61 PolarHBondContact O-N 2.94Å; E58-K61 WeakPolarHBondContact OE1-CD 3.41Å; E58-K61 WeakPolarHBondContact OE1-CE 3.37Å; E58-K61 IonicContact OE1-NZ 2.6Å; E58-K61 PolarHBondContact OE1-NZ 3.22Å; E58-K61 WeakPolarHBondContact OE2-CD 3.43Å; E58-K61 IonicContact OE2-NZ 2.63Å; E58-T62 PolarHBondContact O-N 3.28Å; E58-T62 VanDerWaalsContact O-N 3.09Å; E58-T62 PolarHBondContact O-OG1 3.04Å
59H43.4Very low41.9Very low130 Ų130122.7 Ų122.760%0.60262%0.615SS**Hα-helixtrans-69.1-21.1173.6-155.497.6000112.8S55 T62 R63S55-H59 PolarHBondContact O-N 2.74Å; H59-T62 PolarHBondContact O-OG1 3.27Å; H59-R63 WeakPolarHBondContact O-CB 3.47Å
60W39.5Very low41.2Very low181 Ų181123.9 Ų123.969%0.68662%0.624SS**Hα-helixtrans-79.5-45172.6-172.790.5000111.8M56 T57 E58 R63 N64M56-W60 PolarHBondContact O-N 3.11Å; T57-W60 WeakPolarHBondContact O-CB 3.39Å; T57-W60 PolarHBondContact O-N 3.49Å; E58-W60 PolarHBondContact O-N 2.88Å; W60-R63 PolarHBondContact O-N 3.16Å; W60-N64 VanDerWaalsContact CZ2-ND2 3.31Å; W60-N64 WeakPolarHBondContact CZ2-ND2 3.42Å; W60-N64 PolarHBondContact O-N 2.91Å
61K37.3Very low40.3Very low110 Ų110130.7 Ų130.748%0.47864%0.641SS.*Hα-helixtrans-57.9-50.4176.4-70.7173.6-176169.50111.9T57 E58 R63 N64 S65T57-K61 PolarHBondContact O-N 3.03Å; T57-K61 VanDerWaalsContact O-N 3.17Å; E58-K61 PolarHBondContact O-N 2.94Å; E58-K61 WeakPolarHBondContact OE1-CD 3.41Å; E58-K61 WeakPolarHBondContact OE1-CE 3.37Å; E58-K61 IonicContact OE1-NZ 2.6Å; E58-K61 PolarHBondContact OE1-NZ 3.22Å; E58-K61 WeakPolarHBondContact OE2-CD 3.43Å; E58-K61 IonicContact OE2-NZ 2.63Å; K61-R63 PolarHBondContact O-N 3.16Å; K61-N64 PolarHBondContact O-N 3.39Å; K61-S65 PolarHBondContact O-N 2.89Å
62T44.7Very low39.6Very low99 Ų99129.5 Ų129.561%0.60765%0.645SS**Hα-helixtrans-64-22.1-178.949.60000113.8E58 H59E58-T62 PolarHBondContact O-N 3.28Å; E58-T62 VanDerWaalsContact O-N 3.09Å; E58-T62 PolarHBondContact O-OG1 3.04Å; H59-T62 PolarHBondContact O-OG1 3.27Å
63R36.3Very low38.8Very low193 Ų193135.4 Ų135.473%0.72867%0.668SS**Hα-helixtrans-84.1-24.9178-170.4166.8179152.9-6.2114.1H59 W60 K61H59-R63 WeakPolarHBondContact O-CB 3.47Å; W60-R63 PolarHBondContact O-N 3.16Å; K61-R63 PolarHBondContact O-N 3.16Å
64N37.4Very low38Very low98 Ų98135.7 Ų135.752%0.52467%0.674SS.*Hα-helixtrans-93.7-15.5-178.7-70.8-20.7000113.6W60 K61W60-N64 VanDerWaalsContact CZ2-ND2 3.31Å; W60-N64 WeakPolarHBondContact CZ2-ND2 3.42Å; W60-N64 PolarHBondContact O-N 2.91Å; K61-N64 PolarHBondContact O-N 3.39Å
65S35.5Very low36.9Very low96 Ų96137.3 Ų137.367%0.67169%0.691SS**  trans-99.783.7-178-65.40000113.7K61K61-S65 PolarHBondContact O-N 2.89Å
66R31.5Very low35.9Very low233 Ų233138.8 Ų138.888%0.87970%0.702SS**  trans-133.2142.4157-76.8-165.2178-148.3-1.1110.6
67P34.6Very low35.4Very low113 Ų113137.2 Ų137.273%0.73470%0.703SS**PPolyproline II helixtrans-69.8145.2-169.427.3-35.3000113.1Q69P67-Q69 PolarHBondContact O-N 3.31Å
68K34.1Very low34.4Very low211 Ų211141.8 Ų141.892%0.91772%0.72SS**PPolyproline II helixtrans-69.2120.8170.6-67.2174-178.8170.70109.2
69Q31.2Very low33.3Very low163 Ų163143.5 Ų143.576%0.76274%0.74SS**PPolyproline II helixtrans-75.1152.4167.6-72.7-68.6-30.500110.6P67P67-Q69 PolarHBondContact O-N 3.31Å
70P32.2Very low32.5Very low114 Ų114143.1 Ų143.174%0.7475%0.752SS**PPolyproline II helixtrans-60.3146.8177.3-22.434000112.6
71R30.7Very low32Very low227 Ų227143.5 Ų143.586%0.85776%0.761SS**PPolyproline II helixtrans-98.1122.6177.9-168.8-159.6-60.3-106.83.6109.6
72P30.9Very low31.6Very low110 Ų110146 Ų14671%0.71478%0.78SS**PPolyproline II helixtrans-61.8146.9166.4-20.833.4000111.2
73L27.7Very low30.7Very low178 Ų178148.3 Ų148.393%0.93279%0.789SS**PPolyproline II helixtrans-68141.6176.7-68.4168000111.1
74T30.4Very low30.5Very low112 Ų112144.1 Ų144.169%0.68779%0.789SS**  trans-109.9136.1177.149.10000110.8
75P32.9Very low30.4Very low132 Ų132145.5 Ų145.586%0.85780%0.8SS**  trans-74.7156.6150.932.7-30.3000110.2
76S28.7Very low30.7Very low118 Ų118146.6 Ų146.683%0.82581%0.805SS**  trans-109.5132.5-161.2-51.80000114.4
77S30Very low30.7Very low100 Ų100140.7 Ų140.770%0.69980%0.8SS**  trans-165.1147.3151.898.50000107.5
78E26.8Very low30.4Very low173 Ų173138.9 Ų138.981%0.80880%0.802SS**  cis-136.6176-4.6-104.8133.1115.200109.3
79C24.2Very low30.2Very low123 Ų123137.4 Ų137.483%0.83180%0.803SS**  trans-60.8152.9-179.8-62.60000113.1
80S26.8Very low30.1Very low121 Ų121134.9 Ų134.985%0.84680%0.803SS**  trans-94.9115.9162.6-600000108.1
81E27.8Very low29.9Very low189 Ų189134 Ų13488%0.88381%0.805SS**  trans-86.1126.8165.3-66.4179.9130.100108.3
82D28.6Very low29.9Very low162 Ų162131.1 Ų131.187%0.86680%0.804SS**  trans-73.5135.6165.4-76.9-64.5000108.6
83D27.1Very low29.8Very low149 Ų149134 Ų13480%0.79781%0.807SS**  trans-148.7119.7148.8-131.8-17.3000115.3
84S31.1Very low29.7Very low104 Ų104132.6 Ų132.673%0.72780%0.796SS**  trans15.2157.9131.6-38.60000122.5
85V36.5Very low29.8Very low127 Ų127132.1 Ų132.177%0.7780%0.797SS**  trans-84.2138.3173.7-175.90000110.9
86P41.8Very low29.7Very low119 Ų119130.2 Ų130.277%0.77379%0.787SS**  trans-100.9137.6157.733.8-29.4000112.1
87S30Very low29.6Very low110 Ų110133.8 Ų133.877%0.76979%0.788SS**  trans-154.498.2172.8-730000111.4
88G29.6Very low29.4Very low75 Ų75133.8 Ų133.877%0.77379%0.787SS**  trans73.7157.4177.400000114.2
89L29.1Very low29.4Very low180 Ų180133.6 Ų133.694%0.94279%0.788SS**  cis-143.5175.17.2-86.7164.2000110.5
90S28.7Very low29.9Very low109 Ų109133.9 Ų133.976%0.76279%0.786SS**  trans-111.4143.5-178-600000114.1
91A27.7Very low31.3Very low95 Ų95133.7 Ų133.779%0.78578%0.782SS**  trans-153.7109.9149.200000106
92M31.7Very low32.4Very low168 Ų168129.6 Ų129.683%0.82877%0.772SS**  71.4104.861.1-65.6-167.4176.100114.2
93H27.9Very low32.4Very low170 Ų170132.4 Ų132.479%0.78777%0.772SS**  -151.5161.4126.7-120-90.1000111
94E26Very low32.6Very low148 Ų148130.1 Ų130.169%0.69277%0.768SS**  trans-42.6152.2-174.1-66.8146.9150.200116.9
95S31.8Very low33.7Very low102 Ų102131 Ų13171%0.71377%0.771SS**  65.8138.754.9117.40000112.9
96S31.4Very low34.4Very low93 Ų93130.5 Ų130.565%0.6577%0.77SS**  cis-168.7161.59-123.20000111.7
97F27.9Very low33.7Very low193 Ų193133 Ų13385%0.84677%0.771SS**  trans67.7153.8157.2-85.2-122.9000118
98C24.8Very low33.5Very low99 Ų99134.2 Ų134.267%0.66978%0.778SS**  cis-161.9164.3-15.4-148.90000113.3
99M27.7Very low33.3Very low170 Ų170139 Ų13984%0.83778%0.78SS**  trans68.2162.6159.3-52-149.478.400121.4
100T33.2Very low33.3Very low128 Ų128134.7 Ų134.779%0.78577%0.77SS**  trans-158.7175.4-170.656.90000110.3
101P56.2Low33.2Very low118 Ų118135.5 Ų135.577%0.76677%0.771SS**  -108.3-143.9-61.640.8-24.3000108.6
102P52Low33.3Very low103 Ų103138.6 Ų138.667%0.66977%0.774SS**  cis-147-158.544.536.5-9.9000116.2
103Y28Very low33.1Very low220 Ų220135.9 Ų135.986%0.86377%0.771SS**  trans94.9151.8170.7-76.4-81.9000120.9
104S30.9Very low33.1Very low102 Ų102130.9 Ų130.971%0.71377%0.766SS**  trans-175.5173.9-161.956.30000111
105P55.4Low33.3Very low122 Ų122129.4 Ų129.479%0.79277%0.772SS**  cis-108.5-100-22.127.4-5.2000110.2
106P50.5Low33.1Very low116 Ų116132.1 Ų132.175%0.75378%0.777SS**  cis-119.9-145.8-8.544.1-27.3000113.7
107H27.5Very low33.1Very low171 Ų171134.8 Ų134.879%0.79278%0.779SS**  trans-103.8168.3174.6-88-127.4000112.7
108C25.2Very low33.5Very low136 Ų136132.7 Ų132.792%0.91977%0.77SS**  -164.6165.7124.1-114.80000113.3
109E25.5Very low33.6Very low176 Ų176135.1 Ų135.182%0.82278%0.775SS**  trans-117.2147-169.3-67.3-179106.300114.9
110A29.3Very low33.8Very low89 Ų89133.5 Ų133.574%0.73677%0.765SS**  trans64.6152.7134.900000124.9
111T26.3Very low33.5Very low126 Ų126135.7 Ų135.777%0.77377%0.766SS**  trans104.4148.1139-130000120.5
112L29.8Very low32Very low161 Ų161134.4 Ų134.484%0.84376%0.76SS**  trans82.1146.6167.7-53.6174.6000118.1
113S28.4Very low31.7Very low111 Ų111134.6 Ų134.678%0.77676%0.761SS**  cis-174.1136.3-25.6-176.70000111.6
114G27Very low31.7Very low65 Ų65131.6 Ų131.667%0.6776%0.755SS**  trans69.4137.8161.800000117.5
115S31.3Very low31.7Very low117 Ų117134.2 Ų134.282%0.81876%0.761SS**  cis89.6106.521.4-56.90000117
116L27.6Very low30.5Very low158 Ų158136.6 Ų136.683%0.82776%0.762SS**  trans-176.4125.1134.6-115.372.3000108
117H31.7Very low29.7Very low150 Ų150134.8 Ų134.869%0.69476%0.756SS**  71.2140.693.9-90.237000116.5
118K35.9Very low29.9Very low149 Ų149134.3 Ų134.365%0.64876%0.758SS**  cis-166.6-174.9-4-144.6-173.5-167.7169.50111
119L26.7Very low29.9Very low150 Ų150131.9 Ų131.979%0.78574%0.743SS**  trans87.5141.6165.1-52.8177000117.5
120H31.7Very low30.2Very low135 Ų135131.1 Ų131.163%0.62574%0.739SS**  cis-165.9164-32.9-137.9-116.6000111.4
121H27.6Very low30.3Very low174 Ų174136.5 Ų136.581%0.80675%0.746SS**  trans77.5141.1165.7-74.8-72.1000123.5
122S24.6Very low30.5Very low91 Ų91139.3 Ų139.364%0.63674%0.744SS**  trans-107173.1164.8-144.20000109
123P44.8Very low30.5Very low107 Ų107139.2 Ų139.270%0.69574%0.739SS**  -133.4158.36111.415.7000115.2
124E28.7Very low30.2Very low157 Ų157140.6 Ų140.673%0.73475%0.747SS**  63.210384.8-49.7164.1-166.600113.3
125D30.3Very low30.5Very low157 Ų157143.2 Ų143.284%0.8475%0.75SS**  92.4152.286.7-73.5-46.9000112.6
126E30.8Very low30.5Very low173 Ų173143.4 Ų143.481%0.80875%0.751SS**  cis-153.616512.8-150.6-170.6178.400112
127A33.4Very low30.5Very low77 Ų77142.4 Ų142.464%0.63675%0.752SS**  trans66.9148.2147.100000121.5
128I30.7Very low30.4Very low161 Ų161141.8 Ų141.883%0.82675%0.752SS**  cis-160.1162.9-11-118.3166.8000111.8
129S26.2Very low30Very low86 Ų86146.6 Ų146.660%0.60177%0.766SS**  trans100.7104.5152.6-121.70000123
130Q30.8Very low30.2Very low159 Ų159147.6 Ų147.674%0.74377%0.766SS**  76.2132.2127.1-68.4177.314.100122.9
131K33.1Very low30.3Very low203 Ų203147.7 Ų147.788%0.88378%0.777SS**  trans-84.1138.1177.1-61.5168.8176.6173.90111.7
132Y29.7Very low30.5Very low184 Ų184143.2 Ų143.272%0.72277%0.77SS**  trans-122.7117.2155-73.6-90.9000107.3
133Q29.4Very low30.8Very low160 Ų160145.8 Ų145.875%0.74878%0.776SS**  58.9105.793.5-70.5-167.9-8.100113.5T135Q133-T135 PolarHBondContact O-N 3.03Å
134C23.4Very low30.2Very low140 Ų140148.5 Ų148.595%0.94678%0.783SS**  trans-79.6109.4168.1-58.40000109.6
135T31.7Very low30.4Very low119 Ų119148.8 Ų148.873%0.7379%0.785SS**  trans-93.7143.5169.944.60000111.1Q133Q133-T135 PolarHBondContact O-N 3.03Å
136S32Very low30.4Very low121 Ų121149.6 Ų149.685%0.84678%0.783SS**  trans-81.4128.2176.853.10000111.5
137V27.9Very low30.1Very low137 Ų137146.7 Ų146.783%0.8378%0.781SS**  trans-134.9141166.4-1760000110.4
138I28.8Very low29.8Very low138 Ų138148.3 Ų148.371%0.70879%0.787SS**  trans-76.4150.7-176.3-64.4154.9000110.8
139R28.2Very low29.7Very low249 Ų249146.9 Ų146.994%0.9479%0.79SS**  trans-107.5118.6157.4-83-174.8174152.9-0.5110.2
140H29.6Very low29.8Very low171 Ų171147.2 Ų147.279%0.79279%0.793SS**  trans-99.2148.6158.1-90.2-87.8000109.3
141T34.6Very low29.7Very low138 Ų138145.6 Ų145.685%0.84779%0.794SS**  trans-135.4140.9146.145.80000107.6
142A32.8Very low29.4Very low79 Ų79145 Ų14565%0.65379%0.794SS**  trans-76.5179.6169.400000109.3
143D29.5Very low29.6Very low146 Ų146144.8 Ų144.878%0.78180%0.799SS**  cis-130.417616.3-77.9-73.6000109.5
144I32.2Very low30Very low164 Ų164141.7 Ų141.784%0.84179%0.793SS**  cis-144163.442-73171.6000112
145Q33.7Very low30.1Very low162 Ų162142.1 Ų142.176%0.75779%0.785SS**  trans-59.1150.5-168.6-59.7175.5-32.600117.4
146H29.6Very low29.8Very low175 Ų175143.4 Ų143.481%0.8178%0.783SS**  trans30.9149133.4-69.9-95.1000121.7
147C25.1Very low29.6Very low112 Ų112146.6 Ų146.676%0.75778%0.784SS**  cis-151159.812.8-143.10000112.9
148S27.5Very low29.6Very low110 Ų110146.7 Ų146.777%0.76978%0.78SS**  trans-90147.2168.1-45.20000111.1
149C27.1Very low29.7Very low131 Ų131147.2 Ų147.289%0.88579%0.79SS**  -168.6-179.9106.3-138.40000112.7
150S28.3Very low29.7Very low94 Ų94139.6 Ų139.666%0.65778%0.78SS**  trans-97.4162.7-163.7-54.40000114.9
151T29.5Very low29.7Very low125 Ų125135.8 Ų135.877%0.76777%0.773SS**  trans52110.1146.149.30000119.4
152H27.7Very low29.4Very low191 Ų191137.9 Ų137.988%0.88477%0.773SS**  -155.6129.1119.1-112.1-75.2000112.1
153Q32.6Very low29.2Very low179 Ų179138.6 Ų138.684%0.83677%0.773SS**  trans-95.9166.4145.1-103.6-174.7-34.800106.8
154P39.1Very low29.2Very low95 Ų95140.1 Ų140.162%0.61778%0.78SS**  cis-137.7-169.52743.1-24.5000114.7
155L24.6Very low29.1Very low149 Ų149136.8 Ų136.878%0.7878%0.777SS**  trans48.7142.4143.7-71162.6000119.6
156Q26.5Very low29Very low146 Ų146138.4 Ų138.468%0.68279%0.785SS**  cis-169.8155.9-1.4-176.9173.5-8.900106.9
157E26.7Very low29Very low188 Ų188137.4 Ų137.488%0.87979%0.785SS**  trans167.2146134.9-93.8178176.300111.8
158D27Very low29.4Very low138 Ų138137.8 Ų137.874%0.73879%0.789SS**  trans-99.3149.6-172.2-57.2-90.3000112
159T31.2Very low29.7Very low150 Ų150142.2 Ų142.292%0.9280%0.795SS**  trans-153.6139.5151.65.20000110.9
160A28.3Very low29.9Very low89 Ų89142.2 Ų142.274%0.73679%0.791SS**  trans-83.7176.4174.200000110
161S29.8Very low29.8Very low90 Ų90144 Ų14463%0.62979%0.793SS**  cis-159.8160.626.6-52.80000112.2
162E28.4Very low30Very low183 Ų183144.3 Ų144.386%0.85580%0.795SS**  trans59.3154.5146.1-70.9171.2124.500120
163S29.1Very low30.1Very low94 Ų94142 Ų14266%0.65779%0.789SS**  cis-162.6163.4-23.258.20000109.3
164L30.1Very low30Very low178 Ų178137.8 Ų137.893%0.93278%0.784SS**  trans135.4151.4158.9-76.5161.4000112.4
165A30.1Very low29.5Very low94 Ų94139.2 Ų139.278%0.77780%0.797SS**  trans-126.5156.3-168.400000112.4
166Q31.1Very low29.8Very low195 Ų195139 Ų13991%0.91180%0.797SS**  trans-159.4147.5153.6-114.9164.49.800112.2
167D28.9Very low29.9Very low154 Ų154137.5 Ų137.582%0.82480%0.802SS**  trans-80.4157.8-174.2-55.8-95.5000114.4
168S34.6Very low30Very low120 Ų120138.9 Ų138.984%0.83980%0.799SS**  -174.1127.4110.135.40000115.9
169K32.4Very low30.3Very low204 Ų204138.6 Ų138.689%0.88780%0.803SS**  trans5125.1156-82.7167.1172.8164.60120.6
170T31.1Very low30.1Very low131 Ų131138.8 Ų138.880%0.80480%0.798SS**  trans-63.3155.5147520000112.7
171N27.1Very low30.1Very low132 Ų132145.7 Ų145.771%0.70681%0.805SS**  trans-139.3143.6147.2-168.929.5000110.8D173N171-D173 PolarHBondContact ND2-OD2 2.95Å
172V34.1Very low30.1Very low131 Ų131148.9 Ų148.979%0.79482%0.815SS**  trans-143.1106.8-179.2177.10000107.8
173D30Very low30.5Very low142 Ų142145.3 Ų145.376%0.75981%0.81SS**PPolyproline II helixtrans-99.7148.5-176.2-92.4-64.8000113.6N171N171-D173 PolarHBondContact ND2-OD2 2.95Å
174A30.1Very low30.6Very low90 Ų90148.6 Ų148.674%0.74482%0.82SS**PPolyproline II helixtrans-98.5161.9-153.400000115.9
175S28.1Very low30.9Very low125 Ų125149.9 Ų149.987%0.87482%0.818SS**PPolyproline II helixtrans-76.6130.5172.1-67.20000111.9
176N32.3Very low31Very low146 Ų146151.9 Ų151.978%0.78182%0.821SS**  trans-106.4116.1173.1-92.1-45.8000111.6
177S27.7Very low31Very low113 Ų113149.5 Ų149.579%0.7982%0.82SS**  trans-92127.7168.7620000110.8
178W27.8Very low31.1Very low217 Ų217146.4 Ų146.482%0.82282%0.816SS**  trans-109.9116.4174.5-80.662.6000111.1
179T33.7Very low31Very low133 Ų133150.6 Ų150.682%0.81682%0.819SS**  trans-81.8137.6162.947.70000108.8
180N27Very low31Very low154 Ų154150.2 Ų150.282%0.82482%0.82SS**  trans-110.8140.2170.4-103.1-48000109.8
181R28Very low31.2Very low234 Ų234153.7 Ų153.788%0.88382%0.824SS**  trans-124.6110.4-174.6-179.2-178.2-172.9171.22.2106.9
182D31.5Very low31.4Very low157 Ų157154.3 Ų154.384%0.8483%0.833SS**  trans-60.6150.3-176.5-63.6-66.8000112
183S35.2Very low31.2Very low108 Ų108153 Ų15376%0.75583%0.83SS**  trans-155.694.3175.3-73.70000110.1
184D32.7Very low31.5Very low162 Ų162154.3 Ų154.387%0.86683%0.828SS**  trans-60.3138.3172-79.6-63.6000111.8
185K35.6Very low31.6Very low205 Ų205156.1 Ų156.189%0.89183%0.826SS**  trans-134.7117.5155.8-77.1-165.3175.5-178.80111
186T31.1Very low31.7Very low136 Ų136155.2 Ų155.283%0.83483%0.826SS**PPolyproline II helixtrans-73.8131.817750.40000111.7
187V32.3Very low31.5Very low146 Ų146154.2 Ų154.289%0.88583%0.83SS**PPolyproline II helixtrans-84.7116.1168.91780000109.6
188A30.5Very low31.6Very low89 Ų89153.7 Ų153.774%0.73683%0.833SS**PPolyproline II helixtrans-81.9145.4173.300000111.5
189K33.7Very low31.6Very low208 Ų208152 Ų15290%0.90483%0.834SS**PPolyproline II helixtrans-81.3135.6166.5-75.9174.7174.7171.70109.9
190Q30.6Very low31.1Very low196 Ų196155.5 Ų155.592%0.91684%0.838SS**  trans-126.4155.3149.1-80.1-171.7-43.700110.1
191K36.6Very low31.5Very low204 Ų204155 Ų15589%0.88783%0.831SS**  trans-154.4102.9-170-177.9-167.4179.4-168.40108.7
192T30.6Very low32.4Very low144 Ų144148.8 Ų148.888%0.88382%0.821SS**  trans-134.6172.7172.245.50000109.2
193S30.3Very low32.2Very low105 Ų105146.2 Ų146.273%0.73482%0.815SS**  trans-152.3164.4-161.9580000113
194K35.9Very low32.2Very low168 Ų168148.4 Ų148.473%0.7381%0.813SS**  trans90.2116156.6-77.6-177.8145.2-89.60119.7
195D33.6Very low32Very low128 Ų128149 Ų14968%0.68482%0.815SS**  81153.8124-52-12.2000122
196A29.8Very low31.8Very low106 Ų106146.1 Ų146.188%0.87680%0.804SS**  trans92.3122.8169.200000119.4
197S28Very low31.6Very low125 Ų125147.2 Ų147.287%0.87480%0.802SS**  trans-81.3159.1-170.5-41.90000116.3
198A29.6Very low31.4Very low103 Ų103145.1 Ų145.185%0.85179%0.794SS**  trans-153.3142.2133.800000110.7
199H27.8Very low31.4Very low182 Ų182152.1 Ų152.184%0.84380%0.801SS**  trans-89.4148.8170.8-91.5-93.5000110.7
200F23.9Very low31.2Very low206 Ų206150.2 Ų150.290%0.90480%0.799SS**  trans-160.4126.2130.6-125-88.1000111.5
201E33.4Very low31.2Very low143 Ų143150.1 Ų150.167%0.66880%0.796SS**  trans-116.1164.9160.9-104.6-100.4145.600105
202P47.6Very low31.8Very low103 Ų103145.2 Ų145.267%0.66979%0.785SS**  cis-135.8-162.533.732.3-5.7000112
203S27.7Very low31.8Very low103 Ų103145.6 Ų145.672%0.7278%0.782SS**  cis-152.9157.817.9-490000114
204Q34.4Very low31.8Very low154 Ų154147.5 Ų147.572%0.7278%0.784SS**  trans-73.2153.6166.4-67.3-79.7-43.400113.2
205I29.4Very low31.5Very low175 Ų175149.9 Ų149.990%0.89779%0.788SS**  trans-161157.3139.2-102.7155.4000108.4
206Q32Very low31.3Very low144 Ų144148.2 Ų148.267%0.67379%0.786SS**  trans-130.7161.3-155.8-139.4-16927.800114.1
207M25.9Very low31.5Very low160 Ų160149.6 Ų149.679%0.78878%0.779SS**  trans69.4158.4157.5-72.5-161.7-174.900117.5
208S28.2Very low31.6Very low102 Ų102151.4 Ų151.471%0.71378%0.776SS**  cis-158.7145.4-5.434.50000114
209R30.4Very low31.5Very low235 Ų235150.8 Ų150.889%0.88777%0.771SS**  trans29.6121135.5-173.4-165.6-65-176.9-0.3119.8
210I28.9Very low31.6Very low168 Ų168147 Ų14786%0.86276%0.764SS**  trans-152.4151.1137.8-97.4146.5000110
211K30.9Very low31.8Very low194 Ų194142.3 Ų142.384%0.84376%0.757SS**  trans-157.7166.3169.1-88.9-165.6177.2-169.90106.2
212P50.3Low31.7Very low102 Ų102141.7 Ų141.766%0.66276%0.763SS**  cis-108.7-151.7-2.121.34.9000109.6
213D29.4Very low30.9Very low152 Ų152142.5 Ų142.581%0.81377%0.766SS**  -163-176.554-103.2-36.7000115
214D29.9Very low31Very low145 Ų145142 Ų14278%0.77577%0.768SS**  trans-71.6178.6-156.9-125.4-21.2000119.9
215R31Very low30.7Very low217 Ų217138 Ų13882%0.81977%0.768SS**  trans83.297.5150.1-83.1174.3-179.7-168.2-0.9122.9
216S29.8Very low30.9Very low94 Ų94136.6 Ų136.666%0.65776%0.761SS**  74.7131.7112.372.50000123.3
217N32.2Very low30.8Very low135 Ų135135.2 Ų135.272%0.72276%0.763SS**  trans84.6119.8134.4-80.5-3.1000122.7
218M31.8Very low31.1Very low163 Ų163135.9 Ų135.980%0.80377%0.768SS**  71.7124.8129.1-59.8-69.8-179.300120.6
219A27.1Very low31.2Very low90 Ų90136.3 Ų136.374%0.74477%0.766SS**  trans66.7159.9139.900000118.4
220S29.1Very low31.1Very low102 Ų102130 Ų13071%0.71376%0.758SS**  cis-169.6169.5-27.9-92.70000107.2
221S28.8Very low31.3Very low107 Ų107133.8 Ų133.875%0.74876%0.762SS**  trans73126.2151-66.30000117.3
222V30.1Very low31.2Very low130 Ų130130.4 Ų130.479%0.78876%0.757SS**  98140.595.6157.60000112.1
223T31.3Very low31.1Very low120 Ų120131.3 Ų131.374%0.73676%0.763SS**  cis-169.9172.3-17.1-81.30000108.1
224A30.5Very low31.1Very low92 Ų92129.8 Ų129.876%0.7676%0.759SS**  trans86.1161.215800000119.9
225G28.3Very low31.1Very low70 Ų70130.8 Ų130.872%0.72276%0.756SS**  trans96.960.4173.600000115.5
226I33.8Very low31Very low147 Ų147126.1 Ų126.175%0.75476%0.757SS**  71.1109.263.3-63.8175.5000114.5
227T29.6Very low31.1Very low115 Ų115128.9 Ų128.971%0.70676%0.76SS**  trans52.7132.5159.7610000122.3
228L31.6Very low31Very low173 Ų173130.7 Ų130.791%0.90677%0.767SS**  -147.8172.1109.4-113.5170.9000111.2
229V30.4Very low30.8Very low111 Ų111128.5 Ų128.567%0.67376%0.763SS**  trans-138.2155.4-150.2161.10000113.1
230S29.1Very low31.9Very low102 Ų102129.6 Ų129.671%0.71376%0.763SS**  trans72.8123.1164.4-78.20000120
231R32.8Very low31.8Very low248 Ų248130.6 Ų130.694%0.93676%0.764SS**  -161.4138.193.7-104.2171.9173.6141.1-1.4113.3
232V29.2Very low31.7Very low123 Ų123130.4 Ų130.475%0.74576%0.763SS**  trans-97.8157.9161-140.90000107.5
233P46.5Very low31.5Very low122 Ų122128.6 Ų128.679%0.79276%0.756SS**  -140.7-179.983.515.49.6000113.4
234V30.1Very low31.4Very low119 Ų119129.1 Ų129.172%0.72176%0.759SS**  cis-167.6159.6-29.6139.10000106.4
235F30.5Very low31.2Very low166 Ų166129.1 Ų129.173%0.72875%0.754SS**  trans-16.1155.3164-74.2-96.5000119.7
236S28Very low31.2Very low119 Ų119132.1 Ų132.183%0.83276%0.758SS**  cis-148.3161.747-65.20000117.5
237Q31.7Very low30.9Very low153 Ų153129.7 Ų129.772%0.71576%0.76SS**  trans-99.2150.8174-55.6169.9-10.800111.6
238I30.3Very low30.9Very low172 Ų172134.4 Ų134.488%0.88277%0.765SS**  trans-143.8145.9141.4-60.5-171.5000108.7
239V27.5Very low30.8Very low118 Ų118132.6 Ų132.672%0.71575%0.753SS**  trans-146172.1173.5-113.40000106.7
240P50.1Low30.9Very low113 Ų113134 Ų13473%0.73475%0.753SS**  cis-112.3-139.9-5.625.8-1.5000111.4
241V27.9Very low30.9Very low122 Ų122135.7 Ų135.774%0.73975%0.754SS**  cis-155167.310.7-130.30000113.7
242S25.9Very low30.8Very low104 Ų104128 Ų12873%0.72774%0.738SS**  trans-11.9162141-51.60000120.2
243S27Very low30.8Very low92 Ų92128.6 Ų128.664%0.64374%0.742SS**  cis179.4170.3-16.754.90000110.5
244T27.7Very low29.9Very low130 Ų130130.2 Ų130.280%0.79874%0.742SS**  trans65.1173.2163.460.70000118.4
245S26.8Very low29.7Very low92 Ų92130 Ų13064%0.64374%0.741SS**  -164.4166.3-65.558.60000112.7
246T28.3Very low29.5Very low133 Ų133127.4 Ų127.482%0.81674%0.744SS**  trans73.9138.7158.359.30000122.6
247A27.5Very low29.5Very low97 Ų97126.9 Ų126.980%0.80274%0.74SS**  trans71.9155.1142.800000121
248R29.3Very low29.4Very low214 Ų214123.9 Ų123.981%0.80874%0.736SS**  cis-172.7164.4-33.8-154.2-175.7-177167.22.2108.3
249M29.3Very low29.4Very low134 Ų134122.5 Ų122.566%0.6674%0.735SS**  trans72.5148.6159.4-71.1-17617100117
250Q33.3Very low30.3Very low142 Ų142121.6 Ų121.666%0.66473%0.732SS**  cis-164.5175.6-16.8-127.6171.2-15.800112.6
251N29.9Very low29.3Very low137 Ų137124.2 Ų124.273%0.73374%0.739SS**  trans86.2145.5150.6-69.7-8.8000121.2
252S31Very low29Very low87 Ų87124 Ų12461%0.60874%0.738SS**  cis-176.5142.3-17.354.50000114.9
253V29Very low29.2Very low135 Ų135127.1 Ų127.182%0.81875%0.745SS**  trans53.6176159.1-105.20000118
254I27.5Very low29.2Very low156 Ų156128.3 Ų128.380%0.875%0.748SS**  cis-125.5162.13.2-60.5173.3000111.2
255T25.9Very low29.9Very low114 Ų114127.3 Ų127.370%0.69974%0.744SS**  trans-83.3142.8-179.9490000117.9
256S26.8Very low29.8Very low112 Ų112128.5 Ų128.578%0.78375%0.752SS**  73.3160.9125.173.70000124.3
257S27.7Very low29.8Very low108 Ų108130.7 Ų130.776%0.75575%0.753SS**  trans99.7146.3156.9-155.50000117.8
258S29Very low29.7Very low90 Ų90132.5 Ų132.563%0.62975%0.754SS**  cis-170.3113.1-30.7-820000112
259V30.1Very low29.6Very low142 Ų142127.2 Ų127.286%0.86175%0.75SS**  trans51.1-168.7156.5-106.20000117.6
260P47.2Very low29.6Very low100 Ų100129 Ų12965%0.64976%0.756SS**  cis-127.2171.5-36.124.9-3.9000114
261L27.8Very low29.4Very low167 Ų167130.3 Ų130.387%0.87476%0.763SS**  158.9151.4115.4-88.5173.1000115.6
262T23.2Very low29.3Very low118 Ų118133 Ų13372%0.72477%0.768SS**  trans-104.2140.8-175.9-500000111.6
263I29.6Very low29.1Very low170 Ų170136.8 Ų136.887%0.87278%0.781SS**  trans-141.2146.5147.5-47.5-178.6000109.2
264T26.3Very low29.1Very low116 Ų116134.2 Ų134.271%0.71278%0.781SS**  trans-96.3-161.3176.354.70000110.1
265P43Very low29Very low109 Ų109132.3 Ų132.371%0.70878%0.781SS**  cis-132.8-178.3-11.642.5-26.5000114.6
266S23.3Very low29.8Very low118 Ų118132.1 Ų132.183%0.82578%0.782SS**  164.7163.1129-76.20000114.7
267H28.9Very low29.8Very low179 Ų179133.5 Ų133.583%0.82978%0.78SS**  trans-55.4160.4174.6-77.1-141.6000112.9
268T26.6Very low29.8Very low134 Ų134135.4 Ų135.482%0.82278%0.78SS**  -164.816754.5-47.80000112.8
269S26.1Very low30.2Very low103 Ų103136.2 Ų136.272%0.7278%0.784SS**  trans-67.2139.8178.5-178.20000114.8
270Q29.2Very low30Very low171 Ų171136.1 Ų136.180%0.79978%0.783SS**  -172.2173.6108.7-99.1-155.624.800115.2
271Q29.2Very low29.1Very low171 Ų171134.8 Ų134.880%0.79979%0.788SS**  trans-70.2154.8-173.5-50.51622.600113.6
272K28.9Very low29.1Very low194 Ų194132.2 Ų132.284%0.84378%0.784SS**  -176.8167.9108.6-146.5152.1-180173.30113.3
273L26.6Very low29.7Very low166 Ų166131.8 Ų131.887%0.86978%0.783SS**  trans-46.4149.4-179.3-77.555000116.3
274G28.1Very low29.8Very low80 Ų80129.8 Ų129.883%0.82578%0.781SS**  trans158.781.415500000118.4
275S26.4Very low30Very low116 Ų116135.7 Ų135.781%0.81179%0.79SS**  trans-81.6173.7156.7-45.10000109.9
276P41.4Very low29.1Very low111 Ų111137.7 Ų137.772%0.72179%0.793SS**  cis-147.8-165.217.435.8-9.9000117.2
277L26.5Very low29.3Very low141 Ų141140 Ų14074%0.73880%0.795SS**  trans76.5116.7163.9-53.6175.3000117.1
278I29.3Very low29.3Very low147 Ų147138.9 Ų138.975%0.75480%0.795SS**  65.7112.970.4-64.2176.2000111.2
279P37.5Very low29.4Very low108 Ų108139.4 Ų139.470%0.70180%0.798SS**  -151.2149.691.841.5-23.9000119.2
280T25.6Very low29.6Very low139 Ų139143.7 Ų143.785%0.85381%0.806SS**  trans35.9142.814064.60000123.6
281G27.5Very low29.6Very low72 Ų72138.9 Ų138.974%0.74280%0.803SS**  13067.7129.600000120
282S27.7Very low29.4Very low113 Ų113139.3 Ų139.379%0.7981%0.805SS**  trans-35.6167153.752.80000117.8
283P37.1Very low29.2Very low110 Ų110136.3 Ų136.371%0.71480%0.802SS**  cis-138.6174.8-19.538.6-21.5000114.9
284P31.8Very low29.3Very low127 Ų127134.7 Ų134.783%0.82580%0.799SS**PPolyproline II helixtrans-89.7159.9156.834.9-30.5000112.6
285R28.6Very low29.5Very low240 Ų240141 Ų14191%0.90680%0.804SS**PPolyproline II helixtrans-97.6145.5-172.9-64.4157.374.8172.13.7111.3
286I26.1Very low29.8Very low151 Ų151138.3 Ų138.377%0.77479%0.794SS**PPolyproline II helixtrans-71.2130.7176.3-57.5172.1000109.7L288I286-L288 HydrophobicContact CG2-CD1 3.85Å
287L26.1Very low29.6Very low166 Ų166139.1 Ų139.187%0.86980%0.8SS**  trans-119.4130.9159.6-72.1172.2000107.7
288L28.5Very low29.9Very low157 Ų157138.9 Ų138.982%0.82280%0.798SS**  trans-89.9139.5168.8-83.679.8000109.4I286I286-L288 HydrophobicContact CG2-CD1 3.85Å
289V29.3Very low29.9Very low144 Ų144137.7 Ų137.787%0.87380%0.797SS**  trans-134.8146.8153.1-177.60000106.8
290E30.4Very low29.5Very low193 Ų193140.7 Ų140.790%0.90280%0.799SS**  trans-81.1163.4-169-56.1169.4108.100113
291G28.6Very low29.7Very low71 Ų71141.6 Ų141.673%0.73280%0.798SS**  trans-177.616.6-17800000124.6
292Q25.3Very low29.9Very low180 Ų180144.1 Ų144.184%0.84180%0.799SS**  trans64.7157160.7-72.3-78.1-10.400120.8
293V25.5Very low30.1Very low130 Ų130144.1 Ų144.179%0.78880%0.796SS**  trans55.7150.7169.6-110.90000118
294V28.9Very low29.9Very low132 Ų132147.2 Ų147.280%0.880%0.801SS**  cis-134.1158.73.8-165.70000110
295K32.4Very low30Very low214 Ų214146.4 Ų146.493%0.9380%0.795SS**  trans-77129.8173.6-64.6175.6-179.7174.40112.3
296G32.6Very low30.5Very low59 Ų59140.4 Ų140.461%0.60879%0.791SS**  trans-179147.1166.900000112.8I298G296-I298 PolarHBondContact O-N 3.41Å
297P35.5Very low31.3Very low128 Ų128139.8 Ų139.883%0.83179%0.794SS**  trans-77.4120.7178.930.4-32.9000111.4V299P297-V299 PolarHBondContact O-N 3.32Å
298I32.7Very low32.1Very low136 Ų136137 Ų13770%0.69779%0.785SS**  trans-80.6109.7-179.5-54.3175.6000110G296 F300G296-I298 PolarHBondContact O-N 3.41Å; I298-F300 HydrophobicContact CB-CD2 4.36Å; I298-F300 HydrophobicContact CB-CE2 4.19Å; I298-F300 HydrophobicContact CG2-CD2 3.69Å; I298-F300 HydrophobicContact CG2-CE2 3.47Å; I298-F300 VanDerWaalsContact CG2-CE2 3.47Å; I298-F300 HydrophobicContact CG2-CG 4.44Å; I298-F300 HydrophobicContact CG2-CZ 4.06Å; I298-F300 PolarHBondContact O-N 3.16Å; I298-F300 VanDerWaalsContact O-N 3.16Å
299V31.3Very low33.1Very low121 Ų121134.1 Ų134.173%0.73378%0.784SS**  trans-78.693.8173.2-178.40000109.5P297 L301P297-V299 PolarHBondContact O-N 3.32Å; V299-L301 PolarHBondContact O-N 3.15Å; V299-L301 VanDerWaalsContact O-N 3.16Å
300F28.2Very low33.8Very low171 Ų171135 Ų13575%0.7578%0.782SS**  trans-75.898.7169.1-84.3-78.3000110.8I298 V302I298-F300 HydrophobicContact CB-CD2 4.36Å; I298-F300 HydrophobicContact CB-CE2 4.19Å; I298-F300 HydrophobicContact CG2-CD2 3.69Å; I298-F300 HydrophobicContact CG2-CE2 3.47Å; I298-F300 VanDerWaalsContact CG2-CE2 3.47Å; I298-F300 HydrophobicContact CG2-CG 4.44Å; I298-F300 HydrophobicContact CG2-CZ 4.06Å; I298-F300 PolarHBondContact O-N 3.16Å; I298-F300 VanDerWaalsContact O-N 3.16Å; F300-V302 PolarHBondContact O-N 3.41Å
301L30.6Very low34.1Very low159 Ų159135.9 Ų135.983%0.83278%0.778SS**  trans-65.996.1166.6-81160000110V299V299-L301 PolarHBondContact O-N 3.15Å; V299-L301 VanDerWaalsContact O-N 3.16Å
302V31.2Very low35.1Very low124 Ų124139.8 Ų139.875%0.75278%0.782SS**PPolyproline II helixtrans-78.9120.8169-179.50000108.6F300F300-V302 PolarHBondContact O-N 3.41Å
303P32Very low36.1Very low113 Ų113139 Ų13973%0.73478%0.782SS**PPolyproline II helixtrans-69.7132.8-179.827.3-33.3000111.4
304Q32.4Very low37Very low176 Ų176140.8 Ų140.882%0.82278%0.782SS**PPolyproline II helixtrans-70.2130.7177.4-70.6-73.9-3.400111S306Q304-S306 PolarHBondContact O-N 3.23Å
305P34.4Very low38Very low109 Ų109142.5 Ų142.571%0.70878%0.781SS**  trans-74.1111.7171.629.6-32.2000110.2V307P305-V307 PolarHBondContact O-N 2.85Å
306S37.6Very low38.5Very low115 Ų115136.9 Ų136.980%0.80478%0.775SS**  trans-68114.317545.70000111.3Q304 P308Q304-S306 PolarHBondContact O-N 3.23Å; S306-P308 WeakPolarHBondContact O-CD 3.28Å
307V43Very low38.9Very low138 Ų138143 Ų14384%0.83679%0.788SS**  trans-75.8121.3174.7-178.40000109.1P305P305-V307 PolarHBondContact O-N 2.85Å
308P44.1Very low39.1Very low106 Ų106145.7 Ų145.769%0.68879%0.792SS**  trans-74.3155.8-177.630-35000112.7S306 I310S306-P308 WeakPolarHBondContact O-CD 3.28Å; P308-I310 PolarHBondContact O-N 3.37Å
309A49.3Very low39.6Very low98 Ų98145.4 Ų145.481%0.8180%0.796SS**  trans-70.7111.9-167.900000114.3
310I44.8Very low40Very low162 Ų162145.6 Ų145.683%0.83180%0.803SS**  trans-13653.6163.7-41.1179.3000110.4P308P308-I310 PolarHBondContact O-N 3.37Å
311W35.5Very low40.8Very low212 Ų212141.4 Ų141.480%0.80381%0.808SS**  trans-134.1-4.9174.8-163.4-103.2000114.9L313W311-L313 PolarHBondContact O-N 3.49Å
312N48.9Very low41.1Very low152 Ų152137.5 Ų137.581%0.81379%0.794SS**THydrogen-bonded Turntrans-97.158.6-176.9-75.4-13.7000113.2
313L48Very low41.9Very low164 Ų164138.2 Ų138.286%0.85980%0.799SS**THydrogen-bonded Turntrans-150.615.1170.2-117.6162.9000115.2W311W311-L313 PolarHBondContact O-N 3.49Å
314Q43.1Very low42.4Very low167 Ų167142.6 Ų142.678%0.7880%0.801SS**SBendtrans-134.733.7-179.5-154.272.863.200113.4
315Q50.1Low43Very low168 Ų168143.2 Ų143.279%0.78580%0.801SS**SBendtrans-133.414.2-179.3-72.9-67.6-79.300114
316A43.1Very low43.5Very low97 Ų97142.3 Ų142.380%0.80280%0.803SS**SBendtrans-117.122.6-172.400000114.9
317Q40.2Very low44Very low187 Ų187142.6 Ų142.687%0.87480%0.802SS**  trans-141.568.1173.5-72.1-166.6-16.500111.8
318M40.5Very low44.7Very low185 Ų185144 Ų14491%0.91180%0.803SS**  trans-139.459.8166.7-74.2-158.3-176.400111.9
319T43.4Very low45.3Very low129 Ų129142.9 Ų142.979%0.79180%0.803SS**  trans-137.3151.4163.549.60000109.9
320S40.3Very low45.7Very low125 Ų125144 Ų14487%0.87480%0.802SS**SBendtrans61.9114.2-174.162.90000116.4
321G45.1Very low46.6Very low84 Ų84140.6 Ų140.687%0.86680%0.798SS**  trans-73.4149.2-167.600000116.9
322S37.1Very low47.9Very low76 Ų76134.1 Ų134.153%0.53178%0.783SS.*  trans-158.1110.6151.9-172.50000107.9R324S322-R324 PolarHBondContact O-N 2.99Å; S322-R324 PolarHBondContact OG-NE 2.94Å; S322-R324 PolarHBondContact OG-NH2 3.34Å
323T47.7Very low49Very low139 Ų139129 Ų12985%0.85377%0.767SS**  trans-73.478175.5-51.10000109.8
324R41.6Very low50.1Low206 Ų206130.9 Ų130.978%0.77776%0.762SS**  trans-106.9107.6169.6-84-178.1-88.8-173.7-4.2108.7S322 A326S322-R324 PolarHBondContact O-N 2.99Å; S322-R324 PolarHBondContact OG-NE 2.94Å; S322-R324 PolarHBondContact OG-NH2 3.34Å; R324-A326 PolarHBondContact O-N 3.25Å
325F46.3Very low51.4Low189 Ų189125.8 Ų125.883%0.82975%0.749SS**PPolyproline II helixtrans-51129164-70.6-93.7000108.4
326A44.6Very low52.3Low90 Ų90119.6 Ų119.674%0.74473%0.726SS**PPolyproline II helixtrans-58126.4171.400000107.9R324 I328R324-A326 PolarHBondContact O-N 3.25Å; A326-I328 PolarHBondContact O-N 3.05Å
327P46.9Very low53.6Low121 Ų121120.1 Ų120.179%0.78672%0.715SS**PPolyproline II helixtrans-60.4131-179.424.7-33.1000108.7A329P327-A329 PolarHBondContact O-N 3.47Å
328I59Low55.3Low167 Ų167115.8 Ų115.886%0.85670%0.695SS**PPolyproline II helixtrans-54.3119172.6-62.6171.6000106.4A326A326-I328 PolarHBondContact O-N 3.05Å
329A55.2Low56.9Low83 Ų83113.8 Ų113.869%0.68668%0.683SS**PPolyproline II helixtrans-53.9125.8-176.600000108.8P327 A331P327-A329 PolarHBondContact O-N 3.47Å; A329-A331 PolarHBondContact O-N 2.83Å
330P59.2Low58.3Low122 Ų122115.7 Ų115.779%0.79268%0.676SS**PPolyproline II helixtrans-57.7133.1-172.422.3-32.9000109.4
331A62.5Low59.8Low89 Ų89112.3 Ų112.374%0.73665%0.652SS**PPolyproline II helixtrans-50.6133.8179.900000109.2A329 G333A329-A331 PolarHBondContact O-N 2.83Å; A331-G333 PolarHBondContact O-N 2.7Å
332P63.5Low61.2Low76 Ų76109.6 Ų109.649%0.49462%0.621SS.*  trans-56.7113-170.421.9-33.2000109.4A336P332-A336 HydrophobicContact CB-CB 4.15Å
333G72.5Confident62.9Low46 Ų46108.5 Ų108.547%0.47462%0.617SS.*  trans-55.8157.8-173.700000111.6A331 A335 A336 L337A331-G333 PolarHBondContact O-N 2.7Å; G333-A335 PolarHBondContact O-N 3.03Å; G333-A336 WeakPolarHBondContact O-CA 3.46Å; G333-A336 WeakPolarHBondContact O-CB 3.44Å; G333-A336 PolarHBondContact O-N 2.92Å; G333-L337 PolarHBondContact O-N 3.1Å; G333-L337 VanDerWaalsContact O-N 3.14Å
334R69.9Low63.8Low202 Ų202108 Ų10876%0.76261%0.609SS**Hα-helixtrans-46.6-43.3-171.2-168.2176178.1159.53.6113.6A336 L337 E338R334-A336 PolarHBondContact O-N 3.07Å; R334-L337 WeakPolarHBondContact O-CB 3.39Å; R334-L337 PolarHBondContact O-N 3.03Å; R334-L337 VanDerWaalsContact O-N 3.16Å; R334-E338 WeakPolarHBondContact CG-OE1 3.19Å; R334-E338 IonicContact NE-OE1 2.83Å; R334-E338 PolarHBondContact NE-OE1 3.32Å; R334-E338 WeakPolarHBondContact O-CB 3.34Å; R334-E338 WeakPolarHBondContact O-CG 3.49Å; R334-E338 PolarHBondContact O-N 3.01Å
335A70.6Confident64.8Low60 Ų60104.4 Ų104.450%0.49660%0.6SS.*Hα-helixtrans-61.4-36.2174.900000114.7G333 E338 Q339G333-A335 PolarHBondContact O-N 3.03Å; A335-E338 PolarHBondContact O-N 3.39Å; A335-Q339 WeakPolarHBondContact O-CB 3.37Å; A335-Q339 WeakPolarHBondContact O-CG 3.28Å; A335-Q339 PolarHBondContact O-N 3.22Å
336A69.4Low65.5Low38 Ų38103.5 Ų103.531%0.31459%0.592SS.*Hα-helixtrans-74-29.8175.100000112.3P332 G333 R334 R340P332-A336 HydrophobicContact CB-CB 4.15Å; G333-A336 WeakPolarHBondContact O-CA 3.46Å; G333-A336 WeakPolarHBondContact O-CB 3.44Å; G333-A336 PolarHBondContact O-N 2.92Å; R334-A336 PolarHBondContact O-N 3.07Å; A336-R340 WeakPolarHBondContact O-CG 3.49Å; A336-R340 PolarHBondContact O-N 3.38Å; A336-R340 VanDerWaalsContact O-N 3.11Å
337L70.3Confident66.3Low109 Ų109104 Ų10457%0.57158%0.579SS**Hα-helixtrans-70.7-41.7170.8-163.474.6000111.1G333 R334 R340 S341G333-L337 PolarHBondContact O-N 3.1Å; G333-L337 VanDerWaalsContact O-N 3.14Å; R334-L337 WeakPolarHBondContact O-CB 3.39Å; R334-L337 PolarHBondContact O-N 3.03Å; R334-L337 VanDerWaalsContact O-N 3.16Å; L337-R340 WeakPolarHBondContact O-CB 3.28Å; L337-R340 PolarHBondContact O-N 3.44Å; L337-S341 PolarHBondContact O-N 2.79Å
338E74.9Confident67Low95 Ų95102.5 Ų102.544%0.44457%0.571SS.*Hα-helixtrans-67.5-37.5175.5-73.8162.6174.400112.1R334 A335 R340 S341 A342R334-E338 WeakPolarHBondContact CG-OE1 3.19Å; R334-E338 IonicContact NE-OE1 2.83Å; R334-E338 PolarHBondContact NE-OE1 3.32Å; R334-E338 WeakPolarHBondContact O-CB 3.34Å; R334-E338 WeakPolarHBondContact O-CG 3.49Å; R334-E338 PolarHBondContact O-N 3.01Å; A335-E338 PolarHBondContact O-N 3.39Å; E338-R340 VanDerWaalsContact C-N 3.33Å; E338-R340 PolarHBondContact O-N 3.09Å; E338-S341 WeakPolarHBondContact CA-OG 3.38Å; E338-S341 PolarHBondContact O-N 3.32Å; E338-S341 PolarHBondContact O-OG 3.13Å; E338-S341 VanDerWaalsContact O-OG 3.04Å; E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 3.24Å
339Q74.1Confident67Low144 Ų14499.1 Ų99.167%0.67356%0.562SS**Hα-helixtrans-63.5-38.2169.8-76.8171.95.400111.8A335 A343A335-Q339 WeakPolarHBondContact O-CB 3.37Å; A335-Q339 WeakPolarHBondContact O-CG 3.28Å; A335-Q339 PolarHBondContact O-N 3.22Å; Q339-A343 VanDerWaalsContact O-CB 3.28Å; Q339-A343 WeakPolarHBondContact O-CB 3.44Å; Q339-A343 PolarHBondContact O-N 2.85Å
340R72.9Confident67.4Low169 Ų169104 Ų10464%0.63856%0.563SS**Hα-helixtrans-68.3-43.2174.4-79.5179.9173.4-164.4-1.6112.6A336 L337 E338 A343 L344A336-R340 WeakPolarHBondContact O-CG 3.49Å; A336-R340 PolarHBondContact O-N 3.38Å; A336-R340 VanDerWaalsContact O-N 3.11Å; L337-R340 WeakPolarHBondContact O-CB 3.28Å; L337-R340 PolarHBondContact O-N 3.44Å; E338-R340 VanDerWaalsContact C-N 3.33Å; E338-R340 PolarHBondContact O-N 3.09Å; R340-A343 PolarHBondContact O-N 3.24Å; R340-L344 WeakPolarHBondContact O-CG 3.31Å; R340-L344 PolarHBondContact O-N 3.02Å
341S72.6Confident67.9Low54 Ų54101.6 Ų101.638%0.37855%0.546SS..Hα-helixtrans-66-41.8176.465.10000111.4L337 E338 A343 L344 Q345L337-S341 PolarHBondContact O-N 2.79Å; E338-S341 WeakPolarHBondContact CA-OG 3.38Å; E338-S341 PolarHBondContact O-N 3.32Å; E338-S341 PolarHBondContact O-OG 3.13Å; E338-S341 VanDerWaalsContact O-OG 3.04Å; S341-A343 VanDerWaalsContact C-N 3.29Å; S341-A343 PolarHBondContact O-N 3.35Å; S341-L344 PolarHBondContact O-N 2.95Å; S341-Q345 WeakPolarHBondContact O-CB 3.38Å; S341-Q345 VanDerWaalsContact O-CG 3.31Å; S341-Q345 WeakPolarHBondContact O-CG 3.31Å; S341-Q345 PolarHBondContact O-N 3.16Å
342A75.3Confident68.3Low26 Ų26107.7 Ų107.722%0.21555%0.55CS..Hα-helixtrans-69.6-22.4175.200000113.4E338 R346E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 3.24Å; A342-R346 VanDerWaalsContact O-CG 3.28Å; A342-R346 WeakPolarHBondContact O-CG 3.45Å; A342-R346 PolarHBondContact O-N 3.23Å; A342-R346 PolarHBondContact O-NH1 3.18Å
343A71.4Confident69.3Low54 Ų54107.2 Ų107.245%0.44655%0.548SS..Hα-helixtrans-75-45.3168.300000111.3Q339 R340 S341 Q345 R346 E347Q339-A343 VanDerWaalsContact O-CB 3.28Å; Q339-A343 WeakPolarHBondContact O-CB 3.44Å; Q339-A343 PolarHBondContact O-N 2.85Å; R340-A343 PolarHBondContact O-N 3.24Å; S341-A343 VanDerWaalsContact C-N 3.29Å; S341-A343 PolarHBondContact O-N 3.35Å; A343-Q345 VanDerWaalsContact C-N 3.31Å; A343-Q345 PolarHBondContact O-N 3.44Å; A343-R346 PolarHBondContact O-N 3.16Å; A343-R346 VanDerWaalsContact O-N 3.15Å; A343-E347 PolarHBondContact O-N 2.86Å
344L67.1Low70.1Confident128 Ų128108.2 Ų108.267%0.6754%0.54SS*.Hα-helixtrans-63.2-35.2176.1-70.3168.9000112.4R340 S341 E347 S348R340-L344 WeakPolarHBondContact O-CG 3.31Å; R340-L344 PolarHBondContact O-N 3.02Å; S341-L344 PolarHBondContact O-N 2.95Å; L344-E347 PolarHBondContact O-N 2.86Å; L344-S348 VanDerWaalsContact O-CB 3.28Å; L344-S348 WeakPolarHBondContact O-CB 3.31Å; L344-S348 PolarHBondContact O-N 3.18Å
345Q61.8Low71Confident130 Ų130102.4 Ų102.461%0.60753%0.527SS*.Hα-helixtrans-65.1-40.9172.3-74.5168.9-22.400112.1S341 A343 E347 S348 S349S341-Q345 WeakPolarHBondContact O-CB 3.38Å; S341-Q345 VanDerWaalsContact O-CG 3.31Å; S341-Q345 WeakPolarHBondContact O-CG 3.31Å; S341-Q345 PolarHBondContact O-N 3.16Å; A343-Q345 VanDerWaalsContact C-N 3.31Å; A343-Q345 PolarHBondContact O-N 3.44Å; Q345-E347 VanDerWaalsContact C-N 3.35Å; Q345-S348 PolarHBondContact O-N 3.3Å; Q345-S349 PolarHBondContact O-N 3.18Å; Q345-S349 PolarHBondContact O-OG 3Å
346R61.7Low72Confident170 Ų17099.9 Ų99.964%0.64251%0.505SS*.Hα-helixtrans-67.3-33.2175.3-74.6176-176.299.4-9.1112.8A342 A343 S349 R350A342-R346 VanDerWaalsContact O-CG 3.28Å; A342-R346 WeakPolarHBondContact O-CG 3.45Å; A342-R346 PolarHBondContact O-N 3.23Å; A342-R346 PolarHBondContact O-NH1 3.18Å; A343-R346 PolarHBondContact O-N 3.16Å; A343-R346 VanDerWaalsContact O-N 3.15Å; R346-S349 WeakPolarHBondContact CA-OG 3.17Å; R346-S349 PolarHBondContact O-OG 3.45Å; R346-R350 PolarHBondContact O-N 2.84Å
347E61.3Low72.8Confident101 Ų101102.7 Ų102.747%0.47252%0.521SS..Hα-helixtrans-77.6-39.5175-160.855.8-146.200111.7A343 L344 Q345 S349 R350 V351A343-E347 PolarHBondContact O-N 2.86Å; L344-E347 PolarHBondContact O-N 2.86Å; Q345-E347 VanDerWaalsContact C-N 3.35Å; E347-S349 PolarHBondContact O-N 3.39Å; E347-R350 WeakPolarHBondContact O-CB 3.22Å; E347-R350 PolarHBondContact O-N 3.36Å; E347-R350 WeakPolarHBondContact OE2-CD 3.45Å; E347-R350 IonicContact OE2-NH1 3.27Å; E347-R350 PolarHBondContact OE2-NH1 2.8Å; E347-V351 PolarHBondContact O-N 3.42Å
348S61Low73.7Confident89 Ų89101.1 Ų101.162%0.62251%0.51SS*.Hα-helixtrans-59.4-33173.1-171.50000112.8L344 Q345L344-S348 VanDerWaalsContact O-CB 3.28Å; L344-S348 WeakPolarHBondContact O-CB 3.31Å; L344-S348 PolarHBondContact O-N 3.18Å; Q345-S348 PolarHBondContact O-N 3.3Å
349S60Low74Confident96 Ų96105 Ų10567%0.67153%0.528SS*.THydrogen-bonded Turntrans-84.2-8175.744.80000114Q345 R346 E347Q345-S349 PolarHBondContact O-N 3.18Å; Q345-S349 PolarHBondContact O-OG 3Å; R346-S349 WeakPolarHBondContact CA-OG 3.17Å; R346-S349 PolarHBondContact O-OG 3.45Å; E347-S349 PolarHBondContact O-N 3.39Å
350R64.3Low74.6Confident186 Ų186106.1 Ų106.170%0.70254%0.539SS*.THydrogen-bonded Turntrans-81.8-23164.7-88.3177.7173.9158.2-2.7113.3R346 E347 R352R346-R350 PolarHBondContact O-N 2.84Å; E347-R350 WeakPolarHBondContact O-CB 3.22Å; E347-R350 PolarHBondContact O-N 3.36Å; E347-R350 WeakPolarHBondContact OE2-CD 3.45Å; E347-R350 IonicContact OE2-NH1 3.27Å; E347-R350 PolarHBondContact OE2-NH1 2.8Å; R350-R352 PolarHBondContact O-N 3.43Å
351V68.3Low75.4Confident71 Ų7198.9 Ų98.943%0.4351%0.514SS..SBendtrans-69.896.9175.9-172.80000108.9E347 S353 F366E347-V351 PolarHBondContact O-N 3.42Å; V351-S353 PolarHBondContact O-N 3.16Å; V351-F366 HydrophobicContact CG1-CD1 3.6Å; V351-F366 HydrophobicContact CG1-CE1 4.2Å; V351-F366 HydrophobicContact CG1-CG 4.46Å
352R72.3Confident76Confident218 Ų21898.9 Ų98.982%0.82352%0.523SS*.  trans-55.7105.9174-78-175.9169.8128.5-4.3110.2R350R350-R352 PolarHBondContact O-N 3.43Å
353S84.8Confident76.6Confident65 Ų65102.5 Ų102.546%0.45553%0.534SS..  trans-84.5146.6170.656.60000110.2V351V351-S353 PolarHBondContact O-N 3.16Å
354H88.1Confident77.5Confident67 Ų67103.9 Ų103.931%0.3154%0.536SS..EExtended strand (participates in β ladder)trans-109.9104.5175.5-63.9-83.8000108Y365 K367 S368 L371H354-Y365 WeakPolarHBondContact CB-O 3.3Å; H354-Y365 PolarHBondContact N-O 2.83Å; H354-Y365 PolarHBondContact O-N 2.77Å; H354-K367 VanDerWaalsContact CD2-C 3.46Å; H354-S368 PolarHBondContact CD2-N 3.34Å; H354-S368 PolarHBondContact NE2-N 3.21Å; H354-L371 HydrophobicContact CB-CB 3.94Å; H354-L371 HydrophobicContact CB-CD2 3.76Å; H354-L371 HydrophobicContact CB-CG 4.47Å
355V89.1Confident78.5Confident80 Ų80100.4 Ų100.449%0.48552%0.515SS..EExtended strand (participates in β ladder)trans-80.7145.8-179.8-168.30000109.9T364 L371V355-T364 HydrophobicContact CB-CG2 4.42Å; V355-T364 HydrophobicContact CG1-CG2 4.18Å; V355-T364 HydrophobicContact CG2-CG2 3.99Å; V355-L371 VanDerWaalsContact O-CD2 3.31Å; V355-L371 WeakPolarHBondContact O-CD2 3.38Å
356C92Very high79.8Confident7 Ų7101.5 Ų101.55%0.04752%0.518CS..  trans-70.7127.3170.5-168.10000110.8H358 C361 K363 L371 H374 H378C356-H358 PolarHBondContact O-N 3.04Å; C356-H358 VanDerWaalsContact O-N 3.09Å; C356-C361 HydrophobicContact CB-CB 4.33Å; C356-K363 WeakPolarHBondContact CB-O 3.48Å; C356-K363 PolarHBondContact N-O 2.75Å; C356-L371 HydrophobicContact CB-CD1 4.2Å; C356-H374 PolarHBondContact SG-NE2 2.79Å; C356-H378 PolarHBondContact SG-NE2 3.42Å
357P86.9Confident81.1Confident98 Ų9899.1 Ų99.164%0.63651%0.512SS*.SBendtrans-70.33.8178.4-20.434000115.8
358H87.5Confident82.3Confident75 Ų7597.9 Ų97.935%0.34751%0.514SS..  trans-95.3114.8173.7-68.2-87000109.1C356 D360 C361 M375 H378C356-H358 PolarHBondContact O-N 3.04Å; C356-H358 VanDerWaalsContact O-N 3.09Å; H358-D360 PolarHBondContact O-N 3.02Å; H358-C361 HydrophobicContact CB-CB 3.94Å; H358-C361 WeakPolarHBondContact O-CA 3.28Å; H358-C361 VanDerWaalsContact O-CB 3.25Å; H358-C361 WeakPolarHBondContact O-CB 3.44Å; H358-C361 PolarHBondContact O-N 2.94Å; H358-M375 WeakPolarHBondContact NE2-CE 3.29Å; H358-H378 AromaticContact CD2-CD2 3.23Å; H358-H378 PolarHBondContact CD2-CD2 3.19Å; H358-H378 AromaticContact CD2-CG 3.55Å; H358-H378 AromaticContact CD2-NE2 3.73Å; H358-H378 AromaticContact NE2-CD2 3.7Å; H358-H378 AromaticContact NE2-CG 3.64Å
359E81.9Confident83.6Confident177 Ų17797.1 Ų97.183%0.82751%0.509SS*.G310 helixtrans-50.2-51.4-178.7-60.9-57.4143.100112C361 G362E359-C361 PolarHBondContact O-N 3.42Å; E359-G362 PolarHBondContact O-N 3.06Å
360D87.1Confident85Confident168 Ų16897.3 Ų97.390%0.89850%0.499SS*.G310 helixtrans-61-9.3178.7-52.8-58.4000114.5H358H358-D360 PolarHBondContact O-N 3.02Å
361C88.6Confident86.2Confident17 Ų1789.8 Ų89.812%0.11547%0.473CS..G310 helixtrans-98.8-38.6-174.3-146.70000114.1C356 H358 E359 K363 H374 H378C356-C361 HydrophobicContact CB-CB 4.33Å; H358-C361 HydrophobicContact CB-CB 3.94Å; H358-C361 WeakPolarHBondContact O-CA 3.28Å; H358-C361 VanDerWaalsContact O-CB 3.25Å; H358-C361 WeakPolarHBondContact O-CB 3.44Å; H358-C361 PolarHBondContact O-N 2.94Å; E359-C361 PolarHBondContact O-N 3.42Å; C361-K363 WeakPolarHBondContact O-CG 3.19Å; C361-K363 PolarHBondContact O-N 3.45Å; C361-K363 PolarHBondContact SG-NZ 2.92Å; C361-K363 VanDerWaalsContact SG-NZ 3.36Å; C361-H374 VanDerWaalsContact SG-CE1 3.58Å; C361-H374 PolarHBondContact SG-NE2 2.98Å; C361-H378 WeakPolarHBondContact CB-CE1 3.29Å; C361-H378 WeakPolarHBondContact CB-NE2 3.32Å; C361-H378 PolarHBondContact SG-CE1 2.89Å; C361-H378 PolarHBondContact SG-NE2 3Å
362G84.9Confident87.1Confident54 Ų5493.5 Ų93.556%0.55748%0.483SS*.  trans56.6-1.9178.400000117.9E359E359-G362 PolarHBondContact O-N 3.06Å
363K88.1Confident87.8Confident102 Ų10284.1 Ų84.144%0.44345%0.452SS..  trans-74134-169.4-74.4160-156.51600112.3C356 C361 Y365C356-K363 WeakPolarHBondContact CB-O 3.48Å; C356-K363 PolarHBondContact N-O 2.75Å; C361-K363 WeakPolarHBondContact O-CG 3.19Å; C361-K363 PolarHBondContact O-N 3.45Å; C361-K363 PolarHBondContact SG-NZ 2.92Å; C361-K363 VanDerWaalsContact SG-NZ 3.36Å; K363-Y365 HydrophobicContact CB-CE2 3.62Å
364T90.4Very high87.9Confident82 Ų8281.6 Ų81.650%0.50343%0.433SS..EExtended strand (participates in β ladder)trans-116.2144.5179.465.90000111.5V355V355-T364 HydrophobicContact CB-CG2 4.42Å; V355-T364 HydrophobicContact CG1-CG2 4.18Å; V355-T364 HydrophobicContact CG2-CG2 3.99Å
365Y89.6Confident87.9Confident55 Ų5580.7 Ų80.722%0.21643%0.43CS..EExtended strand (participates in β ladder)trans-135.6127.8-173.6-64.1-86.6000111.8H354 K363 K367 H370 L371 H374H354-Y365 WeakPolarHBondContact CB-O 3.3Å; H354-Y365 PolarHBondContact N-O 2.83Å; H354-Y365 PolarHBondContact O-N 2.77Å; K363-Y365 HydrophobicContact CB-CE2 3.62Å; Y365-K367 PolarHBondContact O-N 2.87Å; Y365-H370 HydrophobicContact CD1-CB 3.69Å; Y365-H370 HydrophobicContact CG-CB 4.16Å; Y365-L371 HydrophobicContact CD2-CB 4.19Å; Y365-L371 HydrophobicContact CD2-CD1 4.18Å; Y365-L371 HydrophobicContact CE2-CD1 4.5Å; Y365-L371 HydrophobicContact CG-CB 4.45Å; Y365-H374 HydrophobicContact CE1-CB 4.33Å; Y365-H374 HydrophobicContact CE2-CB 3.9Å; Y365-H374 AromaticContact CE2-CD2 3.29Å; Y365-H374 WeakPolarHBondContact CE2-CD2 3.45Å; Y365-H374 AromaticContact CE2-CG 3.77Å; Y365-H374 AromaticContact CZ-CD2 3.66Å; Y365-H374 AromaticContact CZ-CG 3.69Å; Y365-H374 PolarHBondContact OH-CD2 2.72Å; Y365-H374 VanDerWaalsContact OH-CG 3.24Å
366F88.8Confident87.9Confident153 Ų15379.4 Ų79.467%0.67142%0.416SS*.SBendtrans-703.8176.2-55.1-64.6000115V351V351-F366 HydrophobicContact CG1-CD1 3.6Å; V351-F366 HydrophobicContact CG1-CE1 4.2Å; V351-F366 HydrophobicContact CG1-CG 4.46Å
367K87.6Confident87.6Confident121 Ų12183.6 Ų83.653%0.52644%0.442SS..SBendtrans-144.8130.7179.1-62.9-172.3-179.1-176.80110.9H354 Y365 S369 H370 L371H354-K367 VanDerWaalsContact CD2-C 3.46Å; Y365-K367 PolarHBondContact O-N 2.87Å; K367-S369 PolarHBondContact O-N 2.86Å; K367-H370 HydrophobicContact CB-CB 4.31Å; K367-H370 WeakPolarHBondContact O-CB 3.45Å; K367-H370 PolarHBondContact O-N 2.8Å; K367-L371 PolarHBondContact O-N 2.85Å; K367-L371 VanDerWaalsContact O-N 3.16Å
368S88Confident87.5Confident74 Ų7482.6 Ų82.652%0.51743%0.428SS..Hα-helixtrans-55.8-35.6174.9570000112.9H354 H370 L371 K372H354-S368 PolarHBondContact CD2-N 3.34Å; H354-S368 PolarHBondContact NE2-N 3.21Å; S368-H370 VanDerWaalsContact C-N 3.31Å; S368-H370 PolarHBondContact O-N 2.95Å; S368-L371 PolarHBondContact O-N 3.27Å; S368-K372 WeakPolarHBondContact O-CB 3.43Å; S368-K372 PolarHBondContact O-N 3.21Å
369S87.7Confident87.3Confident73 Ų7382.9 Ų82.951%0.5144%0.435SS..Hα-helixtrans-65.8-30.2175.158.60000113.5K367 A373K367-S369 PolarHBondContact O-N 2.86Å; S369-A373 VanDerWaalsContact O-CB 3.3Å; S369-A373 WeakPolarHBondContact O-CB 3.47Å; S369-A373 PolarHBondContact O-N 3.35Å
370H88.6Confident87.4Confident101 Ų10176.5 Ų76.547%0.46842%0.418SS..Hα-helixtrans-76.4-40.8174.6-67.7-167.3000110.8Y365 K367 S368 A373 H374Y365-H370 HydrophobicContact CD1-CB 3.69Å; Y365-H370 HydrophobicContact CG-CB 4.16Å; K367-H370 HydrophobicContact CB-CB 4.31Å; K367-H370 WeakPolarHBondContact O-CB 3.45Å; K367-H370 PolarHBondContact O-N 2.8Å; S368-H370 VanDerWaalsContact C-N 3.31Å; S368-H370 PolarHBondContact O-N 2.95Å; H370-A373 PolarHBondContact O-N 3.3Å; H370-H374 WeakPolarHBondContact O-CB 3.43Å; H370-H374 PolarHBondContact O-N 3.47Å
371L90Very high87.4Confident27 Ų2772.9 Ų72.914%0.14140%0.395CS..Hα-helixtrans-60.1-49.7170.9174.160.4000111.1H354 V355 C356 Y365 K367 S368 A373 H374 M375H354-L371 HydrophobicContact CB-CB 3.94Å; H354-L371 HydrophobicContact CB-CD2 3.76Å; H354-L371 HydrophobicContact CB-CG 4.47Å; V355-L371 VanDerWaalsContact O-CD2 3.31Å; V355-L371 WeakPolarHBondContact O-CD2 3.38Å; C356-L371 HydrophobicContact CB-CD1 4.2Å; Y365-L371 HydrophobicContact CD2-CB 4.19Å; Y365-L371 HydrophobicContact CD2-CD1 4.18Å; Y365-L371 HydrophobicContact CE2-CD1 4.5Å; Y365-L371 HydrophobicContact CG-CB 4.45Å; K367-L371 PolarHBondContact O-N 2.85Å; K367-L371 VanDerWaalsContact O-N 3.16Å; S368-L371 PolarHBondContact O-N 3.27Å; L371-A373 PolarHBondContact O-N 2.81Å; L371-H374 CarbonylContact O-C 3.54Å; L371-H374 WeakPolarHBondContact O-CA 3.42Å; L371-H374 WeakPolarHBondContact O-CB 3.23Å; L371-H374 PolarHBondContact O-N 3.41Å; L371-M375 HydrophobicContact CD1-CG 4.22Å; L371-M375 HydrophobicContact CD1-SD 3.93Å; L371-M375 HydrophobicContact CG-CG 4.46Å; L371-M375 WeakPolarHBondContact O-CG 3.49Å; L371-M375 PolarHBondContact O-N 3.13Å
372K87.4Confident87.3Confident149 Ų14977.9 Ų77.965%0.64842%0.415SS*.Hα-helixtrans-63.2-25.4178.3-171.1166.2-175.41700113.1S368S368-K372 WeakPolarHBondContact O-CB 3.43Å; S368-K372 PolarHBondContact O-N 3.21Å
373A86.5Confident87.3Confident21 Ų2178.3 Ų78.317%0.17441%0.408CS..Hα-helixtrans-77.6-35.2169.800000112.6S369 H370 L371 R397S369-A373 VanDerWaalsContact O-CB 3.3Å; S369-A373 WeakPolarHBondContact O-CB 3.47Å; S369-A373 PolarHBondContact O-N 3.35Å; H370-A373 PolarHBondContact O-N 3.3Å; L371-A373 PolarHBondContact O-N 2.81Å; A373-R397 HydrophobicContact CB-CG 4.25Å
374H87.9Confident87.3Confident13 Ų1376.5 Ų76.56%0.0640%0.4CS..Hα-helixtrans-69.2-38.5174.5168.337.1000112.8C356 C361 Y365 H370 L371 R376 T377 H378C356-H374 PolarHBondContact SG-NE2 2.79Å; C361-H374 VanDerWaalsContact SG-CE1 3.58Å; C361-H374 PolarHBondContact SG-NE2 2.98Å; Y365-H374 HydrophobicContact CE1-CB 4.33Å; Y365-H374 HydrophobicContact CE2-CB 3.9Å; Y365-H374 AromaticContact CE2-CD2 3.29Å; Y365-H374 WeakPolarHBondContact CE2-CD2 3.45Å; Y365-H374 AromaticContact CE2-CG 3.77Å; Y365-H374 AromaticContact CZ-CD2 3.66Å; Y365-H374 AromaticContact CZ-CG 3.69Å; Y365-H374 PolarHBondContact OH-CD2 2.72Å; Y365-H374 VanDerWaalsContact OH-CG 3.24Å; H370-H374 WeakPolarHBondContact O-CB 3.43Å; H370-H374 PolarHBondContact O-N 3.47Å; L371-H374 CarbonylContact O-C 3.54Å; L371-H374 WeakPolarHBondContact O-CA 3.42Å; L371-H374 WeakPolarHBondContact O-CB 3.23Å; L371-H374 PolarHBondContact O-N 3.41Å; H374-R376 PolarHBondContact O-N 3.08Å; H374-T377 PolarHBondContact CE1-OG1 2.72Å; H374-T377 VanDerWaalsContact CE1-OG1 3.27Å; H374-T377 PolarHBondContact ND1-OG1 3.46Å; H374-T377 WeakPolarHBondContact O-CB 3.31Å; H374-T377 PolarHBondContact O-N 3.33Å; H374-T377 PolarHBondContact O-OG1 3.45Å; H374-H378 AromaticContact CD2-NE2 3.9Å; H374-H378 AromaticContact CE1-CD2 3.8Å; H374-H378 AromaticContact CE1-NE2 3.08Å; H374-H378 PolarHBondContact CE1-NE2 3.13Å; H374-H378 AromaticContact NE2-CD2 3.98Å; H374-H378 AromaticContact NE2-NE2 2.79Å; H374-H378 PolarHBondContact NE2-NE2 3.37Å
375M88.3Confident87.4Confident48 Ų4876.7 Ų76.724%0.23639%0.394CS..G310 helixtrans-53.9-26.6179.5-67.2-52.4-61.700113.2H358 L371 T377 H378 T379H358-M375 WeakPolarHBondContact NE2-CE 3.29Å; L371-M375 HydrophobicContact CD1-CG 4.22Å; L371-M375 HydrophobicContact CD1-SD 3.93Å; L371-M375 HydrophobicContact CG-CG 4.46Å; L371-M375 WeakPolarHBondContact O-CG 3.49Å; L371-M375 PolarHBondContact O-N 3.13Å; M375-T377 PolarHBondContact O-N 3.24Å; M375-H378 WeakPolarHBondContact O-CB 3.43Å; M375-H378 PolarHBondContact O-N 2.79Å; M375-T379 PolarHBondContact O-N 3.45Å
376R87.8Confident87.6Confident53 Ų5374.4 Ų74.420%0.239%0.386CS..G310 helixtrans-68.5-13.7174-60.2-162.6176.196.86.6115.4H374 H378 G380 E381 A396H374-R376 PolarHBondContact O-N 3.08Å; R376-H378 VanDerWaalsContact C-N 3.29Å; R376-G380 CarbonylContact O-C 3.48Å; R376-G380 WeakPolarHBondContact O-CA 3.31Å; R376-G380 PolarHBondContact O-N 3.27Å; R376-G380 VanDerWaalsContact O-N 3.1Å; R376-E381 HydrophobicContact CB-CB 4.01Å; R376-E381 HydrophobicContact CG-CB 3.81Å; R376-E381 IonicContact CZ-OE2 3.21Å; R376-E381 IonicContact NE-OE2 3.42Å; R376-E381 PolarHBondContact NE-OE2 3.09Å; R376-E381 PolarHBondContact O-N 2.49Å; R376-A396 HydrophobicContact CB-CB 4.04Å
377T85.3Confident87.7Confident94 Ų9477.4 Ų77.458%0.57740%0.399SS*.G310 helixtrans-77.9-19.1168.369.40000112H374 M375H374-T377 PolarHBondContact CE1-OG1 2.72Å; H374-T377 VanDerWaalsContact CE1-OG1 3.27Å; H374-T377 PolarHBondContact ND1-OG1 3.46Å; H374-T377 WeakPolarHBondContact O-CB 3.31Å; H374-T377 PolarHBondContact O-N 3.33Å; H374-T377 PolarHBondContact O-OG1 3.45Å; M375-T377 PolarHBondContact O-N 3.24Å
378H85.9Confident87.7Confident77 Ų7777.7 Ų77.736%0.35640%0.397SS..THydrogen-bonded Turntrans-92.3-45.4174-62.9-62000111.4C356 H358 C361 H374 M375 R376 G380C356-H378 PolarHBondContact SG-NE2 3.42Å; H358-H378 AromaticContact CD2-CD2 3.23Å; H358-H378 PolarHBondContact CD2-CD2 3.19Å; H358-H378 AromaticContact CD2-CG 3.55Å; H358-H378 AromaticContact CD2-NE2 3.73Å; H358-H378 AromaticContact NE2-CD2 3.7Å; H358-H378 AromaticContact NE2-CG 3.64Å; C361-H378 WeakPolarHBondContact CB-CE1 3.29Å; C361-H378 WeakPolarHBondContact CB-NE2 3.32Å; C361-H378 PolarHBondContact SG-CE1 2.89Å; C361-H378 PolarHBondContact SG-NE2 3Å; H374-H378 AromaticContact CD2-NE2 3.9Å; H374-H378 AromaticContact CE1-CD2 3.8Å; H374-H378 AromaticContact CE1-NE2 3.08Å; H374-H378 PolarHBondContact CE1-NE2 3.13Å; H374-H378 AromaticContact NE2-CD2 3.98Å; H374-H378 AromaticContact NE2-NE2 2.79Å; H374-H378 PolarHBondContact NE2-NE2 3.37Å; M375-H378 WeakPolarHBondContact O-CB 3.43Å; M375-H378 PolarHBondContact O-N 2.79Å; R376-H378 VanDerWaalsContact C-N 3.29Å; H378-G380 VanDerWaalsContact C-N 3.26Å; H378-G380 PolarHBondContact O-N 3.43Å
379T83.9Confident87.7Confident81 Ų8183 Ų8350%0.49741%0.413SS..SBendtrans-78.9-5.2177.266.40000114.2M375 E381M375-T379 PolarHBondContact O-N 3.45Å; T379-E381 PolarHBondContact O-N 2.73Å; T379-E381 WeakPolarHBondContact OG1-CG 3.41Å; T379-E381 PolarHBondContact OG1-OE1 2.97Å
380G83.9Confident87.6Confident44 Ų4483.7 Ų83.745%0.45443%0.431SS..  trans67.3-1-176.600000115.4R376 H378 K382R376-G380 CarbonylContact O-C 3.48Å; R376-G380 WeakPolarHBondContact O-CA 3.31Å; R376-G380 PolarHBondContact O-N 3.27Å; R376-G380 VanDerWaalsContact O-N 3.1Å; H378-G380 VanDerWaalsContact C-N 3.26Å; H378-G380 PolarHBondContact O-N 3.43Å; G380-K382 PolarHBondContact O-N 3.22Å
381E85.8Confident87.7Confident92 Ų9279.6 Ų79.643%0.4341%0.414SS..  trans-52.8124.9-175.3-89176.1-130.400113.3R376 T379 P383R376-E381 HydrophobicContact CB-CB 4.01Å; R376-E381 HydrophobicContact CG-CB 3.81Å; R376-E381 IonicContact CZ-OE2 3.21Å; R376-E381 IonicContact NE-OE2 3.42Å; R376-E381 PolarHBondContact NE-OE2 3.09Å; R376-E381 PolarHBondContact O-N 2.49Å; T379-E381 PolarHBondContact O-N 2.73Å; T379-E381 WeakPolarHBondContact OG1-CG 3.41Å; T379-E381 PolarHBondContact OG1-OE1 2.97Å; E381-P383 WeakPolarHBondContact O-CD 3.42Å
382K86.9Confident87.7Confident122 Ų12285 Ų8553%0.5344%0.439SS..  trans-124.476.2173-66.7161.3-166.9168.80110.6G380 F384 R394 F395G380-K382 PolarHBondContact O-N 3.22Å; K382-F384 VanDerWaalsContact C-N 3.28Å; K382-F384 PolarHBondContact O-N 3.48Å; K382-R394 HydrophobicContact CB-CB 3.57Å; K382-R394 PolarHBondContact O-NE 2.91Å; K382-R394 VanDerWaalsContact O-NE 3.1Å; K382-F395 CarbonylContact C-O 3.56Å; K382-F395 VanDerWaalsContact C-O 3.3Å; K382-F395 VanDerWaalsContact CA-O 3.28Å; K382-F395 WeakPolarHBondContact CA-O 3.19Å
383P85.4Confident87.8Confident62 Ų6285.7 Ų85.740%0.40344%0.437SS..  trans-65.2-31.1-176.1-20.533.4000113E381 K385 F395E381-P383 WeakPolarHBondContact O-CD 3.42Å; P383-K385 PolarHBondContact O-N 2.95Å; P383-F395 WeakPolarHBondContact CD-O 3.44Å
384F88.4Confident88Confident65 Ų6591.5 Ų91.529%0.28546%0.455SS..EExtended strand (participates in β ladder)trans-90.581.4-168.8-57.3-79.4000111.1K382 R394 F395 A396 L401K382-F384 VanDerWaalsContact C-N 3.28Å; K382-F384 PolarHBondContact O-N 3.48Å; F384-R394 WeakPolarHBondContact O-CA 3.15Å; F384-F395 HydrophobicContact CB-CB 4.3Å; F384-F395 WeakPolarHBondContact CB-O 3.43Å; F384-F395 WeakPolarHBondContact CD2-O 3.31Å; F384-F395 PolarHBondContact N-O 2.75Å; F384-F395 VanDerWaalsContact N-O 3.1Å; F384-F395 PolarHBondContact O-N 3.36Å; F384-A396 WeakPolarHBondContact CE2-O 3.25Å; F384-L401 HydrophobicContact CB-CB 4.04Å; F384-L401 HydrophobicContact CB-CD2 3.83Å
385K90.9Very high88.1Confident86 Ų8692.9 Ų92.937%0.37446%0.46SS..EExtended strand (participates in β ladder)trans-70.4142.5171-172.6171.4-179.6176.60111P383 E392 R394P383-K385 PolarHBondContact O-N 2.95Å; K385-E392 WeakPolarHBondContact CE-OE1 3.32Å; K385-E392 IonicContact NZ-OE1 3.18Å; K385-E392 PolarHBondContact NZ-OE1 3.46Å; K385-E392 IonicContact NZ-OE2 2.89Å; K385-R394 HydrophobicContact CB-CG 3.98Å; K385-R394 HydrophobicContact CD-CG 4.5Å; K385-R394 HydrophobicContact CG-CG 4Å
386C94.3Very high88.1Confident7 Ų791.4 Ų91.45%0.04746%0.456CS..  trans-67.5134.7169.7-157.60000110.7W388 C391 R393 L401C386-W388 VanDerWaalsContact C-N 3.33Å; C386-C391 HydrophobicContact CB-CB 4.35Å; C386-R393 WeakPolarHBondContact CB-O 3.46Å; C386-R393 PolarHBondContact N-O 2.92Å; C386-L401 HydrophobicContact CB-CD1 4.03Å
387K90.9Very high88Confident215 Ų21593 Ų9394%0.93546%0.462SS*.  trans-94.715.8175.1-63.2-165.5176.5-1670112.9
388W88.8Confident88.2Confident128 Ų12891.4 Ų91.449%0.48546%0.455SS..SBendtrans-86.2133.3176-169.2-81.8000109.2C386 C391 H408C386-W388 VanDerWaalsContact C-N 3.33Å; W388-C391 HydrophobicContact CB-CB 4.04Å; W388-C391 WeakPolarHBondContact O-CA 3.5Å; W388-C391 WeakPolarHBondContact O-CB 3.32Å; W388-C391 PolarHBondContact O-N 2.93Å; W388-H408 AromaticContact CD1-CE1 3.68Å; W388-H408 AromaticContact CD1-CG 3.86Å; W388-H408 AromaticContact CD1-ND1 3.46Å; W388-H408 HydrophobicContact CD2-CB 3.5Å; W388-H408 VanDerWaalsContact CD2-CB 3.5Å; W388-H408 AromaticContact CD2-CG 3.55Å; W388-H408 AromaticContact CD2-ND1 3.94Å; W388-H408 AromaticContact CE2-CG 3.95Å; W388-H408 HydrophobicContact CE3-CB 3.57Å; W388-H408 HydrophobicContact CG-CB 4.06Å; W388-H408 AromaticContact CG-CD2 3.7Å; W388-H408 AromaticContact CG-CE1 3.79Å; W388-H408 AromaticContact CG-CG 3.54Å; W388-H408 AromaticContact CG-ND1 3.6Å; W388-H408 AromaticContact CG-NE2 3.89Å; W388-H408 HydrophobicContact CH2-CB 4.06Å; W388-H408 HydrophobicContact CZ2-CB 4Å; W388-H408 HydrophobicContact CZ3-CB 3.85Å; W388-H408 AromaticContact NE1-ND1 3.75Å
389E86.5Confident88.3Confident186 Ų18691.6 Ų91.687%0.86946%0.458SS*.THydrogen-bonded Turntrans-61.3136.5-177.3-168.5169.2-168.200111.5C391E389-C391 PolarHBondContact O-N 3.36Å
390G86.5Confident88.5Confident86 Ų8689.7 Ų89.789%0.88744%0.444SS*.THydrogen-bonded Turntrans67.98.5-169.900000115.4
391C90.3Very high88.9Confident16 Ų1688.8 Ų88.811%0.10843%0.429CS..  trans-115.796.7177.2-159.40000114.1C386 W388 E389 R393 H404 H408C386-C391 HydrophobicContact CB-CB 4.35Å; W388-C391 HydrophobicContact CB-CB 4.04Å; W388-C391 WeakPolarHBondContact O-CA 3.5Å; W388-C391 WeakPolarHBondContact O-CB 3.32Å; W388-C391 PolarHBondContact O-N 2.93Å; E389-C391 PolarHBondContact O-N 3.36Å; C391-R393 VanDerWaalsContact C-N 3.27Å; C391-R393 PolarHBondContact O-N 2.83Å; C391-H404 PolarHBondContact SG-NE2 3.01Å; C391-H404 VanDerWaalsContact SG-NE2 3.42Å; C391-H408 PolarHBondContact SG-CE1 2.82Å; C391-H408 PolarHBondContact SG-NE2 3.23Å
392E89.4Confident89.1Confident141 Ų14186.4 Ų86.466%0.65942%0.422SS*.  trans-71.2-12.4-179.3-70.7-80.689.500115.1K385 R394K385-E392 WeakPolarHBondContact CE-OE1 3.32Å; K385-E392 IonicContact NZ-OE1 3.18Å; K385-E392 PolarHBondContact NZ-OE1 3.46Å; K385-E392 IonicContact NZ-OE2 2.89Å; E392-R394 WeakPolarHBondContact O-CG 3.28Å; E392-R394 PolarHBondContact O-N 3.47Å
393R89.8Confident89.3Confident163 Ų16385.3 Ų85.362%0.61542%0.415SS*.  trans-60130.6-164.7-73.9-178.1165.9157.1-1.4113.3C386 C391 F395C386-R393 WeakPolarHBondContact CB-O 3.46Å; C386-R393 PolarHBondContact N-O 2.92Å; C391-R393 VanDerWaalsContact C-N 3.27Å; C391-R393 PolarHBondContact O-N 2.83Å; R393-F395 HydrophobicContact CB-CE2 3.77Å; R393-F395 HydrophobicContact CB-CZ 3.85Å
394R92.2Very high89.6Confident143 Ų14383 Ų8354%0.5440%0.399SS..EExtended strand (participates in β ladder)trans-116.8142.3178.6-49.3-178.871.4142.72.1111.1K382 F384 K385 E392K382-R394 HydrophobicContact CB-CB 3.57Å; K382-R394 PolarHBondContact O-NE 2.91Å; K382-R394 VanDerWaalsContact O-NE 3.1Å; F384-R394 WeakPolarHBondContact O-CA 3.15Å; K385-R394 HydrophobicContact CB-CG 3.98Å; K385-R394 HydrophobicContact CD-CG 4.5Å; K385-R394 HydrophobicContact CG-CG 4Å; E392-R394 WeakPolarHBondContact O-CG 3.28Å; E392-R394 PolarHBondContact O-N 3.47Å
395F89Confident89.6Confident41 Ų4186.7 Ų86.718%0.1841%0.411CS..EExtended strand (participates in β ladder)trans-124.6152.5-176.1-57.5-89000111.8K382 P383 F384 R393 E400 L401 H404K382-F395 CarbonylContact C-O 3.56Å; K382-F395 VanDerWaalsContact C-O 3.3Å; K382-F395 VanDerWaalsContact CA-O 3.28Å; K382-F395 WeakPolarHBondContact CA-O 3.19Å; P383-F395 WeakPolarHBondContact CD-O 3.44Å; F384-F395 HydrophobicContact CB-CB 4.3Å; F384-F395 WeakPolarHBondContact CB-O 3.43Å; F384-F395 WeakPolarHBondContact CD2-O 3.31Å; F384-F395 PolarHBondContact N-O 2.75Å; F384-F395 VanDerWaalsContact N-O 3.1Å; F384-F395 PolarHBondContact O-N 3.36Å; R393-F395 HydrophobicContact CB-CE2 3.77Å; R393-F395 HydrophobicContact CB-CZ 3.85Å; F395-E400 HydrophobicContact CB-CB 3.98Å; F395-E400 HydrophobicContact CD1-CB 3.83Å; F395-E400 HydrophobicContact CG-CB 4.12Å; F395-L401 HydrophobicContact CB-CB 4.41Å; F395-L401 HydrophobicContact CD2-CB 3.97Å; F395-L401 HydrophobicContact CD2-CD1 4.06Å; F395-L401 HydrophobicContact CE2-CD1 4.25Å; F395-L401 HydrophobicContact CG-CB 4.36Å; F395-H404 HydrophobicContact CE1-CB 4.13Å; F395-H404 HydrophobicContact CE2-CB 4.03Å; F395-H404 AromaticContact CE2-CD2 3.18Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.21Å; F395-H404 AromaticContact CE2-CG 3.81Å; F395-H404 HydrophobicContact CZ-CB 3.6Å; F395-H404 AromaticContact CZ-CD2 3.27Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.31Å; F395-H404 AromaticContact CZ-CG 3.45Å; F395-H404 VanDerWaalsContact CZ-CG 3.45Å
396A87.8Confident89.6Confident18 Ų1886.2 Ų86.215%0.14941%0.407CS..SBendtrans-79.2-21.417600000112.5R376 F384R376-A396 HydrophobicContact CB-CB 4.04Å; F384-A396 WeakPolarHBondContact CE2-O 3.25Å
397R86.5Confident89.3Confident85 Ų8589.3 Ų89.332%0.32143%0.425SS..SBendtrans-132149.6-176.5-47-169.9-58.3107.615.3112.8A373 D399 E400 L401A373-R397 HydrophobicContact CB-CG 4.25Å; R397-D399 WeakPolarHBondContact CB-OD1 3.45Å; R397-D399 IonicContact CZ-OD1 2.72Å; R397-D399 IonicContact CZ-OD2 3.73Å; R397-D399 IonicContact NE-OD1 3.17Å; R397-D399 IonicContact NH1-OD1 2.72Å; R397-D399 PolarHBondContact NH1-OD1 2.67Å; R397-D399 IonicContact NH1-OD2 3.13Å; R397-D399 PolarHBondContact NH1-OD2 3.18Å; R397-D399 IonicContact NH2-OD1 3.57Å; R397-D399 PolarHBondContact NH2-OD1 2.78Å; R397-D399 IonicContact NH2-OD2 3.38Å; R397-D399 PolarHBondContact NH2-OD2 3.15Å; R397-E400 IonicContact CZ-OE1 3.11Å; R397-E400 PolarHBondContact N-OE2 3.4Å; R397-E400 IonicContact NE-OE1 3.99Å; R397-E400 PolarHBondContact NE-OE1 2.99Å; R397-E400 IonicContact NE-OE2 2.65Å; R397-E400 IonicContact NH2-OE1 3.93Å; R397-E400 PolarHBondContact NH2-OE1 2.66Å; R397-E400 WeakPolarHBondContact O-CB 3.39Å; R397-E400 PolarHBondContact O-N 3.03Å; R397-L401 PolarHBondContact O-N 3.41Å
398S88.6Confident89.1Confident62 Ų6281.5 Ų81.543%0.43439%0.392SS..Hα-helixtrans-72.4-32.2-175.5-175.70000113.6E400 L401 S402S398-E400 VanDerWaalsContact C-N 3.35Å; S398-L401 PolarHBondContact O-N 3.26Å; S398-S402 VanDerWaalsContact O-CB 3.28Å; S398-S402 WeakPolarHBondContact O-CB 3.12Å; S398-S402 PolarHBondContact O-N 2.83Å; S398-S402 PolarHBondContact O-OG 3.44Å
399D87.9Confident89Confident80 Ų8078.2 Ų78.243%0.42839%0.386SS..Hα-helixtrans-69.6-31.8174.463.6-50.9000112.1R397 S402 R403R397-D399 WeakPolarHBondContact CB-OD1 3.45Å; R397-D399 IonicContact CZ-OD1 2.72Å; R397-D399 IonicContact CZ-OD2 3.73Å; R397-D399 IonicContact NE-OD1 3.17Å; R397-D399 IonicContact NH1-OD1 2.72Å; R397-D399 PolarHBondContact NH1-OD1 2.67Å; R397-D399 IonicContact NH1-OD2 3.13Å; R397-D399 PolarHBondContact NH1-OD2 3.18Å; R397-D399 IonicContact NH2-OD1 3.57Å; R397-D399 PolarHBondContact NH2-OD1 2.78Å; R397-D399 IonicContact NH2-OD2 3.38Å; R397-D399 PolarHBondContact NH2-OD2 3.15Å; D399-S402 PolarHBondContact O-N 3.45Å; D399-R403 WeakPolarHBondContact O-CB 3.43Å; D399-R403 PolarHBondContact O-N 3.46Å
400E89.7Confident88.9Confident41 Ų4171.2 Ų71.219%0.19236%0.364CS..Hα-helixtrans-64.5-49.7170.5-86.7153.2-156.500112.1F395 R397 S398 S402 R403 H404F395-E400 HydrophobicContact CB-CB 3.98Å; F395-E400 HydrophobicContact CD1-CB 3.83Å; F395-E400 HydrophobicContact CG-CB 4.12Å; R397-E400 IonicContact CZ-OE1 3.11Å; R397-E400 PolarHBondContact N-OE2 3.4Å; R397-E400 IonicContact NE-OE1 3.99Å; R397-E400 PolarHBondContact NE-OE1 2.99Å; R397-E400 IonicContact NE-OE2 2.65Å; R397-E400 IonicContact NH2-OE1 3.93Å; R397-E400 PolarHBondContact NH2-OE1 2.66Å; R397-E400 WeakPolarHBondContact O-CB 3.39Å; R397-E400 PolarHBondContact O-N 3.03Å; S398-E400 VanDerWaalsContact C-N 3.35Å; E400-S402 VanDerWaalsContact C-N 3.31Å; E400-S402 PolarHBondContact O-N 2.87Å; E400-R403 PolarHBondContact O-N 3.29Å; E400-H404 WeakPolarHBondContact O-CB 3.48Å; E400-H404 PolarHBondContact O-N 3.48Å
401L92.1Very high88.8Confident26 Ų2670.4 Ų70.414%0.13634%0.337CS..Hα-helixtrans-59.4-43.1173.2172.359.2000111.1F384 C386 F395 R397 S398 R403 H404 R405F384-L401 HydrophobicContact CB-CB 4.04Å; F384-L401 HydrophobicContact CB-CD2 3.83Å; C386-L401 HydrophobicContact CB-CD1 4.03Å; F395-L401 HydrophobicContact CB-CB 4.41Å; F395-L401 HydrophobicContact CD2-CB 3.97Å; F395-L401 HydrophobicContact CD2-CD1 4.06Å; F395-L401 HydrophobicContact CE2-CD1 4.25Å; F395-L401 HydrophobicContact CG-CB 4.36Å; R397-L401 PolarHBondContact O-N 3.41Å; S398-L401 PolarHBondContact O-N 3.26Å; L401-R403 VanDerWaalsContact C-N 3.31Å; L401-R403 PolarHBondContact O-N 3.4Å; L401-H404 PolarHBondContact O-N 2.79Å; L401-R405 PolarHBondContact O-N 2.99Å
402S90.1Very high88.5Confident42 Ų4275.3 Ų75.329%0.29436%0.356SS..Hα-helixtrans-67-30.5179.3-61.20000113.2S398 D399 E400S398-S402 VanDerWaalsContact O-CB 3.28Å; S398-S402 WeakPolarHBondContact O-CB 3.12Å; S398-S402 PolarHBondContact O-N 2.83Å; S398-S402 PolarHBondContact O-OG 3.44Å; D399-S402 PolarHBondContact O-N 3.45Å; E400-S402 VanDerWaalsContact C-N 3.31Å; E400-S402 PolarHBondContact O-N 2.87Å
403R90.1Very high88.4Confident99 Ų9976 Ų7637%0.37435%0.353SS..Hα-helixtrans-73.7-42.8171.1179.2177.166.5-178-2.8111.1D399 E400 L401 R406 R425D399-R403 WeakPolarHBondContact O-CB 3.43Å; D399-R403 PolarHBondContact O-N 3.46Å; E400-R403 PolarHBondContact O-N 3.29Å; L401-R403 VanDerWaalsContact C-N 3.31Å; L401-R403 PolarHBondContact O-N 3.4Å; R403-R406 WeakPolarHBondContact O-CB 3.41Å; R403-R406 PolarHBondContact O-N 2.95Å; R403-R425 HydrophobicContact CG-CG 4.15Å
404H91.5Very high88.4Confident14 Ų1471.2 Ų71.27%0.06534%0.337CS..Hα-helixtrans-65.2-38.7177166.743.1000112.3C391 F395 E400 L401 R406 T407 H408C391-H404 PolarHBondContact SG-NE2 3.01Å; C391-H404 VanDerWaalsContact SG-NE2 3.42Å; F395-H404 HydrophobicContact CE1-CB 4.13Å; F395-H404 HydrophobicContact CE2-CB 4.03Å; F395-H404 AromaticContact CE2-CD2 3.18Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.21Å; F395-H404 AromaticContact CE2-CG 3.81Å; F395-H404 HydrophobicContact CZ-CB 3.6Å; F395-H404 AromaticContact CZ-CD2 3.27Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.31Å; F395-H404 AromaticContact CZ-CG 3.45Å; F395-H404 VanDerWaalsContact CZ-CG 3.45Å; E400-H404 WeakPolarHBondContact O-CB 3.48Å; E400-H404 PolarHBondContact O-N 3.48Å; L401-H404 PolarHBondContact O-N 2.79Å; H404-R406 PolarHBondContact O-N 3.25Å; H404-T407 PolarHBondContact CE1-OG1 2.79Å; H404-T407 PolarHBondContact ND1-OG1 2.89Å; H404-T407 WeakPolarHBondContact O-CB 3.43Å; H404-T407 PolarHBondContact O-N 3.45Å; H404-T407 PolarHBondContact O-OG1 2.94Å; H404-H408 AromaticContact CE1-CE1 3.87Å; H404-H408 AromaticContact CE1-NE2 3.2Å; H404-H408 PolarHBondContact CE1-NE2 3.18Å; H404-H408 AromaticContact NE2-NE2 3.34Å; H404-H408 PolarHBondContact NE2-NE2 3.18Å
405R90Very high88.4Confident141 Ų14167 Ų6753%0.53233%0.327SS..Hα-helixtrans-55.9-26.9179-166.5168.469.7-128.65.9113.2L401 T407 H408 T409L401-R405 PolarHBondContact O-N 2.99Å; R405-T407 VanDerWaalsContact C-N 3.27Å; R405-T407 PolarHBondContact O-N 3.34Å; R405-H408 PolarHBondContact O-N 3.29Å; R405-T409 PolarHBondContact O-N 3.4Å
406R89.3Confident88.5Confident77 Ų7765.1 Ų65.129%0.29132%0.319SS..Hα-helixtrans-69.7-17.3174.1-54.9176.9-169.3173.91113.9R403 H404 H408 G410 E411 M424R403-R406 WeakPolarHBondContact O-CB 3.41Å; R403-R406 PolarHBondContact O-N 2.95Å; H404-R406 PolarHBondContact O-N 3.25Å; R406-H408 VanDerWaalsContact C-N 3.31Å; R406-G410 PolarHBondContact O-N 3.39Å; R406-E411 PolarHBondContact O-N 3.47Å; R406-M424 VanDerWaalsContact C-SD 3.58Å; R406-M424 HydrophobicContact CB-CG 3.83Å; R406-M424 HydrophobicContact CB-SD 3.96Å; R406-M424 VanDerWaalsContact O-CE 3.31Å; R406-M424 WeakPolarHBondContact O-CE 3.18Å
407T88Confident88.6Confident71 Ų7168.5 Ų68.544%0.43634%0.339SS..Hα-helixtrans-70.9-29.7172.667.30000111.8H404 R405 M424H404-T407 PolarHBondContact CE1-OG1 2.79Å; H404-T407 PolarHBondContact ND1-OG1 2.89Å; H404-T407 WeakPolarHBondContact O-CB 3.43Å; H404-T407 PolarHBondContact O-N 3.45Å; H404-T407 PolarHBondContact O-OG1 2.94Å; R405-T407 VanDerWaalsContact C-N 3.27Å; R405-T407 PolarHBondContact O-N 3.34Å; T407-M424 HydrophobicContact CG2-CE 4.28Å; T407-M424 HydrophobicContact CG2-SD 3.66Å
408H87.8Confident88.7Confident52 Ų5266.6 Ų66.624%0.24134%0.335CS..Hα-helixtrans-76.9-43.8174.8-59.8-64.7000112.1W388 C391 H404 R405 R406 G410W388-H408 AromaticContact CD1-CE1 3.68Å; W388-H408 AromaticContact CD1-CG 3.86Å; W388-H408 AromaticContact CD1-ND1 3.46Å; W388-H408 HydrophobicContact CD2-CB 3.5Å; W388-H408 VanDerWaalsContact CD2-CB 3.5Å; W388-H408 AromaticContact CD2-CG 3.55Å; W388-H408 AromaticContact CD2-ND1 3.94Å; W388-H408 AromaticContact CE2-CG 3.95Å; W388-H408 HydrophobicContact CE3-CB 3.57Å; W388-H408 HydrophobicContact CG-CB 4.06Å; W388-H408 AromaticContact CG-CD2 3.7Å; W388-H408 AromaticContact CG-CE1 3.79Å; W388-H408 AromaticContact CG-CG 3.54Å; W388-H408 AromaticContact CG-ND1 3.6Å; W388-H408 AromaticContact CG-NE2 3.89Å; W388-H408 HydrophobicContact CH2-CB 4.06Å; W388-H408 HydrophobicContact CZ2-CB 4Å; W388-H408 HydrophobicContact CZ3-CB 3.85Å; W388-H408 AromaticContact NE1-ND1 3.75Å; C391-H408 PolarHBondContact SG-CE1 2.82Å; C391-H408 PolarHBondContact SG-NE2 3.23Å; H404-H408 AromaticContact CE1-CE1 3.87Å; H404-H408 AromaticContact CE1-NE2 3.2Å; H404-H408 PolarHBondContact CE1-NE2 3.18Å; H404-H408 AromaticContact NE2-NE2 3.34Å; H404-H408 PolarHBondContact NE2-NE2 3.18Å; R405-H408 PolarHBondContact O-N 3.29Å; R406-H408 VanDerWaalsContact C-N 3.31Å; H408-G410 VanDerWaalsContact C-N 3.27Å; H408-G410 PolarHBondContact O-N 3.02Å
409T85.8Confident88.8Confident58 Ų5866.1 Ų66.136%0.35633%0.331SS..Hα-helixtrans-78.1-9178.463.20000114R405 E411R405-T409 PolarHBondContact O-N 3.4Å; T409-E411 WeakPolarHBondContact CB-OE1 3.48Å; T409-E411 PolarHBondContact O-N 3.39Å; T409-E411 VanDerWaalsContact OG1-CD 3.3Å; T409-E411 WeakPolarHBondContact OG1-CG 3.45Å; T409-E411 PolarHBondContact OG1-OE1 2.78Å
410G85.3Confident88.9Confident40 Ų4068.5 Ų68.541%0.41234%0.343SS..THydrogen-bonded Turntrans65.813.4179.800000114.8R406 H408 K412R406-G410 PolarHBondContact O-N 3.39Å; H408-G410 VanDerWaalsContact C-N 3.27Å; H408-G410 PolarHBondContact O-N 3.02Å; G410-K412 PolarHBondContact O-N 2.84Å
411E83.1Confident88.9Confident68 Ų6868.8 Ų68.832%0.31835%0.35SS..  trans-67.699-167.6-80.3173-116.800114.2R406 T409 R413R406-E411 PolarHBondContact O-N 3.47Å; T409-E411 WeakPolarHBondContact CB-OE1 3.48Å; T409-E411 PolarHBondContact O-N 3.39Å; T409-E411 VanDerWaalsContact OG1-CD 3.3Å; T409-E411 WeakPolarHBondContact OG1-CG 3.45Å; T409-E411 PolarHBondContact OG1-OE1 2.78Å; E411-R413 HydrophobicContact CB-CG 4.32Å; E411-R413 PolarHBondContact O-N 3.24Å; E411-R413 IonicContact OE2-CZ 3.03Å; E411-R413 IonicContact OE2-NE 2.79Å; E411-R413 PolarHBondContact OE2-NE 2.98Å; E411-R413 IonicContact OE2-NH2 3.9Å; E411-R413 PolarHBondContact OE2-NH2 3.26Å
412K85.5Confident88.8Confident119 Ų11974.5 Ų74.552%0.51737%0.369SS..  trans-87.280.9173.7-64.8170.5178.3-177.30110.8G410 R422 F423G410-K412 PolarHBondContact O-N 2.84Å; K412-R422 HydrophobicContact CB-CB 3.64Å; K412-R422 HydrophobicContact CD-CB 4.35Å; K412-R422 WeakPolarHBondContact CD-O 3.49Å; K412-R422 PolarHBondContact O-NE 2.81Å; K412-R422 PolarHBondContact O-NH2 3.32Å; K412-F423 CarbonylContact C-O 3.3Å; K412-F423 VanDerWaalsContact C-O 3.3Å; K412-F423 VanDerWaalsContact CA-O 3.31Å; K412-F423 WeakPolarHBondContact CA-O 3.35Å
413R86.6Confident88.8Confident155 Ų15574.6 Ų74.659%0.58536%0.364SS*.  trans-76.8-21.5-177-63-171.2179.2-148.40.7115.2E411 F423E411-R413 HydrophobicContact CB-CG 4.32Å; E411-R413 PolarHBondContact O-N 3.24Å; E411-R413 IonicContact OE2-CZ 3.03Å; E411-R413 IonicContact OE2-NE 2.79Å; E411-R413 PolarHBondContact OE2-NE 2.98Å; E411-R413 IonicContact OE2-NH2 3.9Å; E411-R413 PolarHBondContact OE2-NH2 3.26Å; R413-F423 PolarHBondContact N-O 2.82Å; R413-F423 VanDerWaalsContact N-O 3.15Å
414F89.2Confident88.8Confident64 Ų6471.9 Ų71.928%0.28136%0.357SS..EExtended strand (participates in β ladder)trans-106.1111.8-172.8-61-83.5000111.1R422 F423 R425 L429F414-R422 CarbonylContact O-C 3.55Å; F414-R422 WeakPolarHBondContact O-CA 3.28Å; F414-F423 HydrophobicContact CB-CB 4.31Å; F414-F423 PolarHBondContact N-O 3.1Å; F414-F423 PolarHBondContact O-N 2.91Å; F414-R425 VanDerWaalsContact CD2-C 3.41Å; F414-L429 HydrophobicContact CB-CB 4.18Å; F414-L429 HydrophobicContact CB-CD2 3.87Å
415T91.9Very high88.7Confident55 Ų5574.5 Ų74.534%0.33737%0.366SS..EExtended strand (participates in β ladder)trans-100.8136.1-178.1-55.30000111.1L420 R422T415-L420 HydrophobicContact CG2-CB 4.47Å; T415-L420 HydrophobicContact CG2-CD2 4.29Å; T415-R422 HydrophobicContact CG2-CG 4.33Å
416C92.8Very high88.7Confident0 Ų070.9 Ų70.90%036%0.362CS..  trans-76.7122.4171.9-176.70000110.9M418 L420 S421 F423 L429 H432C416-M418 PolarHBondContact O-N 3.34Å; C416-L420 WeakPolarHBondContact O-CA 3.43Å; C416-L420 PolarHBondContact O-N 3.36Å; C416-S421 PolarHBondContact N-O 3.07Å; C416-F423 HydrophobicContact CB-CE2 4.24Å; C416-L429 HydrophobicContact CB-CD1 3.62Å; C416-H432 PolarHBondContact SG-NE2 3.22Å
417P88.4Confident88.7Confident89 Ų8969.8 Ų69.858%0.57836%0.362SS*.THydrogen-bonded Turntrans-69.7-16.4-178.228.2-35.4000113.7
418M89.6Confident88.9Confident46 Ų4670 Ų7023%0.22736%0.358CS..THydrogen-bonded Turntrans-94.8-15.2-175.7-68.2175.5-75.500114.3C416 A433 H436 F437 P443 F444C416-M418 PolarHBondContact O-N 3.34Å; M418-A433 HydrophobicContact CE-CB 4.5Å; M418-H436 HydrophobicContact CB-CB 4.5Å; M418-H436 HydrophobicContact CE-CB 3.55Å; M418-H436 HydrophobicContact SD-CB 3.63Å; M418-F437 HydrophobicContact CE-CE2 4.17Å; M418-F437 HydrophobicContact CE-CZ 4.42Å; M418-P443 HydrophobicContact SD-CB 4.1Å; M418-F444 HydrophobicContact CG-CB 4.31Å
419C90.5Very high89.2Confident52 Ų5269 Ų6935%0.35135%0.354SS..THydrogen-bonded Turntrans-154.416.4179.867.80000114.2S421 H432 H436C419-S421 PolarHBondContact O-N 3.1Å; C419-S421 PolarHBondContact O-OG 3.4Å; C419-S421 PolarHBondContact SG-OG 3.42Å; C419-H432 PolarHBondContact SG-NE2 3.04Å; C419-H436 PolarHBondContact SG-CE1 3.38Å; C419-H436 PolarHBondContact SG-NE2 3.35Å
420L89.4Confident89.4Confident129 Ų12969.6 Ų69.668%0.67536%0.361SS*.  trans52.610.9177.4-53.8-179.5000116.4T415 C416 R422T415-L420 HydrophobicContact CG2-CB 4.47Å; T415-L420 HydrophobicContact CG2-CD2 4.29Å; C416-L420 WeakPolarHBondContact O-CA 3.43Å; C416-L420 PolarHBondContact O-N 3.36Å; L420-R422 WeakPolarHBondContact O-CG 3.48Å; L420-R422 PolarHBondContact O-N 3.39Å
421S89.2Confident89.7Confident48 Ų4873.7 Ų73.734%0.33637%0.367SS..  trans-65.6130.2178.7-62.80000110.6C416 C419 F423C416-S421 PolarHBondContact N-O 3.07Å; C419-S421 PolarHBondContact O-N 3.1Å; C419-S421 PolarHBondContact O-OG 3.4Å; C419-S421 PolarHBondContact SG-OG 3.42Å; S421-F423 WeakPolarHBondContact O-CD2 3.41Å; S421-F423 VanDerWaalsContact O-CE2 3.23Å; S421-F423 WeakPolarHBondContact O-CE2 3.46Å
422R91.8Very high90Very high145 Ų14572.3 Ų72.355%0.54736%0.361SS..EExtended strand (participates in β ladder)trans-104.8134.4-172-53.5-174.764.4127.11112.3K412 F414 T415 L420K412-R422 HydrophobicContact CB-CB 3.64Å; K412-R422 HydrophobicContact CD-CB 4.35Å; K412-R422 WeakPolarHBondContact CD-O 3.49Å; K412-R422 PolarHBondContact O-NE 2.81Å; K412-R422 PolarHBondContact O-NH2 3.32Å; F414-R422 CarbonylContact O-C 3.55Å; F414-R422 WeakPolarHBondContact O-CA 3.28Å; T415-R422 HydrophobicContact CG2-CG 4.33Å; L420-R422 WeakPolarHBondContact O-CG 3.48Å; L420-R422 PolarHBondContact O-N 3.39Å
423F89.3Confident90.2Very high44 Ų4467.5 Ų67.519%0.19334%0.343CS..EExtended strand (participates in β ladder)trans-124.8151.5-175.3-57.9-86.1000111.5K412 R413 F414 C416 S421 H428 L429 H432K412-F423 CarbonylContact C-O 3.3Å; K412-F423 VanDerWaalsContact C-O 3.3Å; K412-F423 VanDerWaalsContact CA-O 3.31Å; K412-F423 WeakPolarHBondContact CA-O 3.35Å; R413-F423 PolarHBondContact N-O 2.82Å; R413-F423 VanDerWaalsContact N-O 3.15Å; F414-F423 HydrophobicContact CB-CB 4.31Å; F414-F423 PolarHBondContact N-O 3.1Å; F414-F423 PolarHBondContact O-N 2.91Å; C416-F423 HydrophobicContact CB-CE2 4.24Å; S421-F423 WeakPolarHBondContact O-CD2 3.41Å; S421-F423 VanDerWaalsContact O-CE2 3.23Å; S421-F423 WeakPolarHBondContact O-CE2 3.46Å; F423-H428 HydrophobicContact CB-CB 4.43Å; F423-H428 HydrophobicContact CD1-CB 4.02Å; F423-H428 HydrophobicContact CG-CB 4.49Å; F423-L429 HydrophobicContact CB-CB 4.31Å; F423-L429 HydrophobicContact CD2-CB 3.94Å; F423-L429 HydrophobicContact CD2-CD1 3.9Å; F423-L429 HydrophobicContact CD2-CG 4.49Å; F423-L429 HydrophobicContact CE2-CD1 4.05Å; F423-L429 HydrophobicContact CG-CB 4.26Å; F423-H432 HydrophobicContact CE1-CB 4.1Å; F423-H432 HydrophobicContact CE2-CB 4.18Å; F423-H432 AromaticContact CE2-CD2 3.58Å; F423-H432 AromaticContact CE2-CG 3.82Å; F423-H432 HydrophobicContact CZ-CB 3.65Å; F423-H432 AromaticContact CZ-CD2 3.58Å; F423-H432 AromaticContact CZ-CE1 3.95Å; F423-H432 AromaticContact CZ-CG 3.34Å; F423-H432 AromaticContact CZ-ND1 3.61Å; F423-H432 AromaticContact CZ-NE2 3.96Å
424M90.1Very high90.2Very high43 Ų4368 Ų6821%0.21235%0.345CS..SBendtrans-84.1-20.2179.3-170.4-172.9-6700113.2R406 T407R406-M424 VanDerWaalsContact C-SD 3.58Å; R406-M424 HydrophobicContact CB-CG 3.83Å; R406-M424 HydrophobicContact CB-SD 3.96Å; R406-M424 VanDerWaalsContact O-CE 3.31Å; R406-M424 WeakPolarHBondContact O-CE 3.18Å; T407-M424 HydrophobicContact CG2-CE 4.28Å; T407-M424 HydrophobicContact CG2-SD 3.66Å
425R89.1Confident90Very high69 Ų6974.2 Ų74.226%0.2637%0.366SS..SBendtrans-133.1145.8-178.7-62.7158.747171.2-3.9110.5R403 F414 D427 H428 L429R403-R425 HydrophobicContact CG-CG 4.15Å; F414-R425 VanDerWaalsContact CD2-C 3.41Å; R425-D427 WeakPolarHBondContact CB-OD1 3.38Å; R425-D427 IonicContact CZ-OD1 3.93Å; R425-D427 IonicContact CZ-OD2 2.79Å; R425-D427 IonicContact NE-OD1 4Å; R425-D427 PolarHBondContact NE-OD1 3.46Å; R425-D427 IonicContact NE-OD2 2.66Å; R425-D427 VanDerWaalsContact NH2-CG 3.28Å; R425-D427 IonicContact NH2-OD1 2.95Å; R425-D427 PolarHBondContact NH2-OD1 3.47Å; R425-D427 VanDerWaalsContact NH2-OD1 3.13Å; R425-D427 IonicContact NH2-OD2 2.75Å; R425-D427 PolarHBondContact NH2-OD2 2.93Å; R425-H428 WeakPolarHBondContact CD-NE2 3.49Å; R425-H428 VanDerWaalsContact CZ-NE2 3.35Å; R425-H428 PolarHBondContact NE-NE2 3.18Å; R425-H428 PolarHBondContact NH1-NE2 3.25Å; R425-H428 PolarHBondContact O-N 3.34Å; R425-L429 PolarHBondContact O-N 3.34Å
426S90.1Very high89.4Confident65 Ų6573.9 Ų73.946%0.45536%0.361SS..Hα-helixtrans-63.1-38176.1460000112.6H428 L429 S430S426-H428 VanDerWaalsContact C-N 3.34Å; S426-H428 PolarHBondContact O-N 3.22Å; S426-L429 CarbonylContact O-C 3.58Å; S426-L429 WeakPolarHBondContact O-CA 3.27Å; S426-L429 WeakPolarHBondContact O-CB 3.47Å; S426-L429 PolarHBondContact O-N 3.49Å; S426-L429 VanDerWaalsContact O-N 3.13Å; S426-S430 PolarHBondContact O-N 3.48Å; S426-S430 PolarHBondContact O-OG 3.4Å
427D90.3Very high88.2Confident53 Ų5379.7 Ų79.728%0.28339%0.386SS..Hα-helixtrans-67.8-32.4-178.771-69.3000113R425 S430 K431R425-D427 WeakPolarHBondContact CB-OD1 3.38Å; R425-D427 IonicContact CZ-OD1 3.93Å; R425-D427 IonicContact CZ-OD2 2.79Å; R425-D427 IonicContact NE-OD1 4Å; R425-D427 PolarHBondContact NE-OD1 3.46Å; R425-D427 IonicContact NE-OD2 2.66Å; R425-D427 VanDerWaalsContact NH2-CG 3.28Å; R425-D427 IonicContact NH2-OD1 2.95Å; R425-D427 PolarHBondContact NH2-OD1 3.47Å; R425-D427 VanDerWaalsContact NH2-OD1 3.13Å; R425-D427 IonicContact NH2-OD2 2.75Å; R425-D427 PolarHBondContact NH2-OD2 2.93Å; D427-S430 PolarHBondContact O-N 3.42Å; D427-K431 WeakPolarHBondContact O-CB 3.47Å; D427-K431 VanDerWaalsContact O-CG 3.32Å; D427-K431 WeakPolarHBondContact O-CG 3.44Å; D427-K431 PolarHBondContact O-N 3.48Å
428H91.3Very high87.1Confident77 Ų7781.8 Ų81.836%0.35640%0.397SS..Hα-helixtrans-67.8-41.3169.9-65.6-47.8000111.6F423 R425 S426 K431 H432F423-H428 HydrophobicContact CB-CB 4.43Å; F423-H428 HydrophobicContact CD1-CB 4.02Å; F423-H428 HydrophobicContact CG-CB 4.49Å; R425-H428 WeakPolarHBondContact CD-NE2 3.49Å; R425-H428 VanDerWaalsContact CZ-NE2 3.35Å; R425-H428 PolarHBondContact NE-NE2 3.18Å; R425-H428 PolarHBondContact NH1-NE2 3.25Å; R425-H428 PolarHBondContact O-N 3.34Å; S426-H428 VanDerWaalsContact C-N 3.34Å; S426-H428 PolarHBondContact O-N 3.22Å; H428-K431 PolarHBondContact O-N 3.38Å; H428-H432 VanDerWaalsContact O-CB 3.31Å; H428-H432 WeakPolarHBondContact O-CB 3.43Å; H428-H432 PolarHBondContact O-N 3.05Å
429L93.3Very high85.6Confident30 Ų3083.4 Ų83.416%0.15742%0.418CS..Hα-helixtrans-59.9-47.2171.9171.159.2000110.9F414 C416 F423 R425 S426 K431 H432 A433F414-L429 HydrophobicContact CB-CB 4.18Å; F414-L429 HydrophobicContact CB-CD2 3.87Å; C416-L429 HydrophobicContact CB-CD1 3.62Å; F423-L429 HydrophobicContact CB-CB 4.31Å; F423-L429 HydrophobicContact CD2-CB 3.94Å; F423-L429 HydrophobicContact CD2-CD1 3.9Å; F423-L429 HydrophobicContact CD2-CG 4.49Å; F423-L429 HydrophobicContact CE2-CD1 4.05Å; F423-L429 HydrophobicContact CG-CB 4.26Å; R425-L429 PolarHBondContact O-N 3.34Å; S426-L429 CarbonylContact O-C 3.58Å; S426-L429 WeakPolarHBondContact O-CA 3.27Å; S426-L429 WeakPolarHBondContact O-CB 3.47Å; S426-L429 PolarHBondContact O-N 3.49Å; S426-L429 VanDerWaalsContact O-N 3.13Å; L429-K431 PolarHBondContact O-N 3.2Å; L429-H432 CarbonylContact O-C 3.3Å; L429-H432 PolarHBondContact O-N 3.22Å; L429-A433 VanDerWaalsContact O-CB 3.28Å; L429-A433 WeakPolarHBondContact O-CB 3.46Å; L429-A433 PolarHBondContact O-N 3.24Å
430S91Very high83.7Confident71 Ų7190.3 Ų90.350%0.49744%0.437SS..Hα-helixtrans-62.8-43.3179-58.80000112.3S426 D427 H432 A433 R434S426-S430 PolarHBondContact O-N 3.48Å; S426-S430 PolarHBondContact O-OG 3.4Å; D427-S430 PolarHBondContact O-N 3.42Å; S430-H432 VanDerWaalsContact C-N 3.32Å; S430-H432 PolarHBondContact O-N 2.82Å; S430-A433 PolarHBondContact O-N 3.1Å; S430-R434 WeakPolarHBondContact O-CG 3.44Å; S430-R434 PolarHBondContact O-N 3.42Å
431K90.7Very high81.8Confident126 Ų12694.2 Ų94.255%0.54845%0.448SS..Hα-helixtrans-59.8-41.6174.2-76.5-179.6178.6-170.60111.8D427 H428 L429D427-K431 WeakPolarHBondContact O-CB 3.47Å; D427-K431 VanDerWaalsContact O-CG 3.32Å; D427-K431 WeakPolarHBondContact O-CG 3.44Å; D427-K431 PolarHBondContact O-N 3.48Å; H428-K431 PolarHBondContact O-N 3.38Å; L429-K431 PolarHBondContact O-N 3.2Å
432H90.5Very high79.6Confident39 Ų39100.3 Ų100.318%0.18147%0.469CS..Hα-helixtrans-69.8-43.2175.9167.388.5000112.8C416 C419 F423 H428 L429 S430 R434 R435 H436C416-H432 PolarHBondContact SG-NE2 3.22Å; C419-H432 PolarHBondContact SG-NE2 3.04Å; F423-H432 HydrophobicContact CE1-CB 4.1Å; F423-H432 HydrophobicContact CE2-CB 4.18Å; F423-H432 AromaticContact CE2-CD2 3.58Å; F423-H432 AromaticContact CE2-CG 3.82Å; F423-H432 HydrophobicContact CZ-CB 3.65Å; F423-H432 AromaticContact CZ-CD2 3.58Å; F423-H432 AromaticContact CZ-CE1 3.95Å; F423-H432 AromaticContact CZ-CG 3.34Å; F423-H432 AromaticContact CZ-ND1 3.61Å; F423-H432 AromaticContact CZ-NE2 3.96Å; H428-H432 VanDerWaalsContact O-CB 3.31Å; H428-H432 WeakPolarHBondContact O-CB 3.43Å; H428-H432 PolarHBondContact O-N 3.05Å; L429-H432 CarbonylContact O-C 3.3Å; L429-H432 PolarHBondContact O-N 3.22Å; S430-H432 VanDerWaalsContact C-N 3.32Å; S430-H432 PolarHBondContact O-N 2.82Å; H432-R434 VanDerWaalsContact C-N 3.27Å; H432-R434 PolarHBondContact O-N 3.16Å; H432-R435 VanDerWaalsContact O-CB 3.31Å; H432-R435 WeakPolarHBondContact O-CB 3.46Å; H432-R435 PolarHBondContact O-N 3.42Å; H432-H436 AromaticContact CD2-NE2 3.76Å; H432-H436 AromaticContact CE1-NE2 3.43Å; H432-H436 PolarHBondContact CE1-NE2 3.27Å; H432-H436 AromaticContact NE2-CD2 3.75Å; H432-H436 AromaticContact NE2-NE2 3Å; H432-H436 PolarHBondContact NE2-NE2 3.16Å
433A88.7Confident77.6Confident17 Ų1794.9 Ų94.914%0.1445%0.452CS..Hα-helixtrans-57.6-40.418000000111.5M418 L429 S430 R435 H436 F437M418-A433 HydrophobicContact CE-CB 4.5Å; L429-A433 VanDerWaalsContact O-CB 3.28Å; L429-A433 WeakPolarHBondContact O-CB 3.46Å; L429-A433 PolarHBondContact O-N 3.24Å; S430-A433 PolarHBondContact O-N 3.1Å; A433-R435 PolarHBondContact O-N 3.45Å; A433-H436 WeakPolarHBondContact O-CB 3.31Å; A433-H436 PolarHBondContact O-N 2.92Å; A433-F437 HydrophobicContact CB-CE2 4.45Å; A433-F437 WeakPolarHBondContact O-CD2 3.36Å; A433-F437 PolarHBondContact O-N 3.32Å
434R88Confident75.4Confident167 Ų16797.7 Ų97.763%0.6346%0.464SS*.Hα-helixtrans-55-31.3173.7-69.8-171.3-52.7-179.710.4113.7S430 H432 H436 F437 V438S430-R434 WeakPolarHBondContact O-CG 3.44Å; S430-R434 PolarHBondContact O-N 3.42Å; H432-R434 VanDerWaalsContact C-N 3.27Å; H432-R434 PolarHBondContact O-N 3.16Å; R434-H436 VanDerWaalsContact C-N 3.31Å; R434-H436 PolarHBondContact O-N 2.98Å; R434-F437 PolarHBondContact O-N 2.65Å; R434-V438 WeakPolarHBondContact O-CG2 3.49Å; R434-V438 PolarHBondContact O-N 3.09Å; R434-V438 VanDerWaalsContact O-N 3.16Å
435R83.6Confident73.8Confident193 Ų193104.5 Ų104.573%0.72849%0.488SS*.Hα-helixtrans-64.6-34.2176.1-63.717862145.7-2.2112.2H432 A433 A439H432-R435 VanDerWaalsContact O-CB 3.31Å; H432-R435 WeakPolarHBondContact O-CB 3.46Å; H432-R435 PolarHBondContact O-N 3.42Å; A433-R435 PolarHBondContact O-N 3.45Å; R435-A439 VanDerWaalsContact O-CB 3.29Å; R435-A439 WeakPolarHBondContact O-CB 3.38Å; R435-A439 PolarHBondContact O-N 3.22Å
436H80.4Confident71.7Confident48 Ų48104.1 Ų104.122%0.22250%0.5CS..Hα-helixtrans-71.5-39176.4-64.1-84.1000112.3M418 C419 H432 A433 R434 V438 A439 R440M418-H436 HydrophobicContact CB-CB 4.5Å; M418-H436 HydrophobicContact CE-CB 3.55Å; M418-H436 HydrophobicContact SD-CB 3.63Å; C419-H436 PolarHBondContact SG-CE1 3.38Å; C419-H436 PolarHBondContact SG-NE2 3.35Å; H432-H436 AromaticContact CD2-NE2 3.76Å; H432-H436 AromaticContact CE1-NE2 3.43Å; H432-H436 PolarHBondContact CE1-NE2 3.27Å; H432-H436 AromaticContact NE2-CD2 3.75Å; H432-H436 AromaticContact NE2-NE2 3Å; H432-H436 PolarHBondContact NE2-NE2 3.16Å; A433-H436 WeakPolarHBondContact O-CB 3.31Å; A433-H436 PolarHBondContact O-N 2.92Å; R434-H436 VanDerWaalsContact C-N 3.31Å; R434-H436 PolarHBondContact O-N 2.98Å; H436-V438 VanDerWaalsContact C-N 3.29Å; H436-V438 PolarHBondContact O-N 3.39Å; H436-A439 PolarHBondContact O-N 3.01Å; H436-R440 PolarHBondContact O-N 3.24Å
437F66.8Low69.6Low122 Ų122107.1 Ų107.154%0.53551%0.51SS..Hα-helixtrans-64.8-31175.6-69.4-74.3000113M418 A433 R434 P443M418-F437 HydrophobicContact CE-CE2 4.17Å; M418-F437 HydrophobicContact CE-CZ 4.42Å; A433-F437 HydrophobicContact CB-CE2 4.45Å; A433-F437 WeakPolarHBondContact O-CD2 3.36Å; A433-F437 PolarHBondContact O-N 3.32Å; R434-F437 PolarHBondContact O-N 2.65Å; F437-P443 HydrophobicContact CE1-CB 4.27Å; F437-P443 HydrophobicContact CE1-CG 4.49Å
438V65.8Low67.2Low133 Ų133108 Ų10881%0.80653%0.531SS*.Hα-helixtrans-75.8-38.7171.61760000111.4R434 H436R434-V438 WeakPolarHBondContact O-CG2 3.49Å; R434-V438 PolarHBondContact O-N 3.09Å; R434-V438 VanDerWaalsContact O-N 3.16Å; H436-V438 VanDerWaalsContact C-N 3.29Å; H436-V438 PolarHBondContact O-N 3.39Å
439A57.8Low65.3Low80 Ų80110 Ų11066%0.66154%0.543SS*.Hα-helixtrans-77.5-20.7-174.900000115.1R435 H436R435-A439 VanDerWaalsContact O-CB 3.29Å; R435-A439 WeakPolarHBondContact O-CB 3.38Å; R435-A439 PolarHBondContact O-N 3.22Å; H436-A439 PolarHBondContact O-N 3.01Å
440R49.8Very low62.8Low197 Ų197111.1 Ų111.174%0.74356%0.562SS**  trans-141.1124.7179.5-75.2-171.1164.5149.2-2.8113.6H436 K442H436-R440 PolarHBondContact O-N 3.24Å; R440-K442 PolarHBondContact O-N 3.17Å
441K50.1Low60.5Low212 Ų212113.6 Ų113.692%0.92258%0.576SS**SBendtrans-60.2122.8156.8-73-178.3177.2177.70108.1
442K43.9Very low58.1Low176 Ų176112.7 Ų112.777%0.76559%0.592SS**SBendtrans71.1123.7-173.2-52.5-176.7-178.5-177.90114.4R440R440-K442 PolarHBondContact O-N 3.17Å
443P48.9Very low56.1Low30 Ų30116.4 Ų116.420%0.19562%0.618CS.*  trans-81.5157.517734.3-36000112.4M418 F437 W445 A446M418-P443 HydrophobicContact SD-CB 4.1Å; F437-P443 HydrophobicContact CE1-CB 4.27Å; F437-P443 HydrophobicContact CE1-CG 4.49Å; P443-W445 VanDerWaalsContact C-N 3.26Å; P443-W445 HydrophobicContact CG-CD2 4.06Å; P443-W445 VanDerWaalsContact CG-CE2 3.42Å; P443-W445 HydrophobicContact CG-CG 4.24Å; P443-W445 HydrophobicContact CG-CZ2 3.81Å; P443-W445 PolarHBondContact O-N 3.34Å; P443-W445 VanDerWaalsContact O-N 3.13Å; P443-A446 VanDerWaalsContact O-CB 3.31Å; P443-A446 WeakPolarHBondContact O-CB 3.27Å; P443-A446 PolarHBondContact O-N 3.34Å
444F44.2Very low53.6Low104 Ų104122.9 Ų122.946%0.45665%0.65SS.*G310 helixtrans-55.8-31.5-175.5177.6-108.7000115M418 A446 L447 I449M418-F444 HydrophobicContact CG-CB 4.31Å; F444-A446 PolarHBondContact O-N 3.26Å; F444-A446 VanDerWaalsContact O-N 3.1Å; F444-L447 HydrophobicContact CD2-CD1 4.24Å; F444-L447 HydrophobicContact CE2-CD1 4.43Å; F444-L447 PolarHBondContact O-N 2.94Å; F444-L447 VanDerWaalsContact O-N 3.07Å; F444-I449 HydrophobicContact CZ-CB 4.47Å
445W54.9Low51Low186 Ų186122.6 Ų122.671%0.70566%0.66SS**G310 helixtrans-63.5-16.1178.262-106000113.8P443 L447 G448P443-W445 VanDerWaalsContact C-N 3.26Å; P443-W445 HydrophobicContact CG-CD2 4.06Å; P443-W445 VanDerWaalsContact CG-CE2 3.42Å; P443-W445 HydrophobicContact CG-CG 4.24Å; P443-W445 HydrophobicContact CG-CZ2 3.81Å; P443-W445 PolarHBondContact O-N 3.34Å; P443-W445 VanDerWaalsContact O-N 3.13Å; W445-L447 PolarHBondContact O-N 3.2Å; W445-G448 PolarHBondContact O-N 2.63Å
446A46.7Very low48.9Very low61 Ų61119.5 Ų119.550%0.50466%0.663SS.*G310 helixtrans-71.6-1.6173.200000114.1P443 F444P443-A446 VanDerWaalsContact O-CB 3.31Å; P443-A446 WeakPolarHBondContact O-CB 3.27Å; P443-A446 PolarHBondContact O-N 3.34Å; F444-A446 PolarHBondContact O-N 3.26Å; F444-A446 VanDerWaalsContact O-N 3.1Å
447L46Very low46.8Very low127 Ų127123.4 Ų123.467%0.66569%0.69SS**G310 helixtrans-99.78.3174.9-66.8173.9000113.8F444 W445 I449F444-L447 HydrophobicContact CD2-CD1 4.24Å; F444-L447 HydrophobicContact CE2-CD1 4.43Å; F444-L447 PolarHBondContact O-N 2.94Å; F444-L447 VanDerWaalsContact O-N 3.07Å; W445-L447 PolarHBondContact O-N 3.2Å; L447-I449 PolarHBondContact O-N 3.28Å
448G39.7Very low45.2Very low72 Ų72123 Ų12374%0.74270%0.702SS**  trans72.8-7.8170.600000116.7W445 G450W445-G448 PolarHBondContact O-N 2.63Å; G448-G450 PolarHBondContact O-N 3.41Å
449I50.6Low43.6Very low119 Ų119122.9 Ų122.961%0.6170%0.702SS**  trans-77.292176-52.7178.6000109.3F444 L447F444-I449 HydrophobicContact CZ-CB 4.47Å; L447-I449 PolarHBondContact O-N 3.28Å
450G41.8Very low42.5Very low53 Ų53123.6 Ų123.655%0.54671%0.708SS.*  trans-66.3154.5169.400000112.1G448 A452G448-G450 PolarHBondContact O-N 3.41Å; G450-A452 PolarHBondContact O-N 2.78Å
451P41.9Very low41.7Very low123 Ų123123 Ų12380%0.79972%0.716SS**  trans-68.8117.6175.229-33.1000110T453P451-T453 PolarHBondContact O-N 3.49Å; P451-T453 VanDerWaalsContact O-N 3.09Å
452A39.7Very low41.1Very low107 Ų107122.5 Ų122.588%0.88471%0.714SS**  trans-67106.3171.900000110.1G450G450-A452 PolarHBondContact O-N 2.78Å
453T48.2Very low40.4Very low118 Ų118120.5 Ų120.572%0.72472%0.716SS**  trans-90.8141.6160.150.90000108.9P451 L455P451-T453 PolarHBondContact O-N 3.49Å; P451-T453 VanDerWaalsContact O-N 3.09Å; T453-L455 PolarHBondContact O-N 2.6Å
454D36.2Very low39.4Very low152 Ų152124.3 Ų124.381%0.81374%0.744SS**  trans-49130.5-170.3-63.9-82.4000115
455L34.9Very low39Very low161 Ų161124.7 Ų124.784%0.84376%0.759SS**  trans-148.259.4171.5-113.6167.1000110.2T453 V457T453-L455 PolarHBondContact O-N 2.6Å; L455-V457 PolarHBondContact O-N 3.42Å
456T39.3Very low38.2Very low128 Ų128122 Ų12279%0.78576%0.764SS**  trans-94.658.3179.538.70000112.6
457V35.7Very low37.6Very low131 Ų131126.5 Ų126.579%0.79478%0.779SS**  trans-131.5117.3156.4-177.30000108.7L455L455-V457 PolarHBondContact O-N 3.42Å
458S32.7Very low37Very low112 Ų112125.2 Ų125.278%0.78379%0.787SS**  trans-73.8137.4-179.2-56.70000112.3
459T33.3Very low36.7Very low131 Ų131129.7 Ų129.780%0.80479%0.793SS**  trans-155.4130.5133.5-73.80000107.8
460A33.4Very low36.1Very low96 Ų96129.5 Ų129.579%0.79380%0.797SS**  trans-93.8132.4-178.500000111.1
461M33.3Very low35.7Very low183 Ų183138.3 Ų138.390%0.90181%0.813SS**  trans-130.9112.8156.5-74.5-167.1170.600109.5
462K36.9Very low35.3Very low202 Ų202140.5 Ų140.588%0.87881%0.813SS**  trans-73147.7157.2-73.7173.5172175.20108
463V31.1Very low35Very low135 Ų135140.9 Ų140.982%0.81881%0.809SS**  -177.8145.1123142.40000111.2
464S27.9Very low34.5Very low110 Ų110142.8 Ų142.877%0.76982%0.815SS**  trans44.4107.5163.9-64.40000121.6
465S34.4Very low34.4Very low111 Ų111145.5 Ų145.578%0.77684%0.843SS**  trans-39.6143.5142.8-40.10000114.4
466T38.5Very low34.4Very low131 Ų131144.7 Ų144.780%0.80484%0.843SS**  -172.2159.7122.519.90000111.4
467N33.4Very low34.1Very low154 Ų154145.6 Ų145.682%0.82485%0.846SS**  trans69.890.5171-59.8-21.5000117.9
468A33.1Very low34Very low100 Ų100146.4 Ų146.483%0.82685%0.849SS**  trans-75.7138.3146.400000109.5
469L34.8Very low34.1Very low166 Ų166148.4 Ų148.487%0.86985%0.853SS**  trans-146.7129.9151.2-150.375.9000112.2
470V38.1Very low34.1Very low115 Ų115149.5 Ų149.570%0.69786%0.856SS**  trans-58.2138.4175.7175.50000111.3
471R32Very low34.2Very low238 Ų238153.1 Ų153.190%0.89886%0.86SS**  trans-134.8132.6149.1-75.3-161.7168.6175.3-1.4111.8
472H33.7Very low34.3Very low169 Ų169150.9 Ų150.978%0.78286%0.857SS**  trans-69.4144.3174.5-80.5-127.4000111.2
473S33Very low34.1Very low115 Ų115147 Ų14780%0.80486%0.856SS**  trans-84.3117159.654.30000109.6
474N38.9Very low34.3Very low158 Ų158148 Ų14885%0.84586%0.859SS**  trans-150.775.8172.4-117.510.3000110.4
475C33.7Very low34.9Very low209 Ų209151.5 Ų151.5100%1.41287%0.867SS**  trans-168.50150.4-1350000109.6

Retrieved 475 of 475 residues in 60.5 ms (Link to these results)