A0A087YID3_POEFO Loading...

Taperin

AlphaFold DB , UniProt , Accession A0A087YID3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 763 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low35.3Very low232 Ų232141 Ų141100%1.14383%0.832SS**  080.50-56.517186.200104.8
2S37Very low35.1Very low123 Ų123145 Ų14586%0.8684%0.837SS**  66.5114.270.5-45.50000109.9
3G36.1Very low34.8Very low79 Ų79142.5 Ų142.581%0.81482%0.818SS**  cis112.4126.90.700000111.9
4G32.7Very low35Very low84 Ų84142.1 Ų142.187%0.86683%0.828SS**  trans92.7142-162.200000111.4
5G32Very low35.4Very low63 Ų63136.6 Ų136.665%0.64981%0.814SS**  cis164.740.4-3.500000115.2I7G5-I7 PolarHBondContact O-N 2.7Å; G5-I7 VanDerWaalsContact O-N 3.08Å
6D34.5Very low35.2Very low148 Ų148139 Ų13979%0.79181%0.814SS**  trans-71.5103.8-168.5-64.5-52.4000113.7H8D6-H8 PolarHBondContact O-N 2.69Å; D6-H8 VanDerWaalsContact O-N 3.11Å
7I36.8Very low35.2Very low165 Ų165139.8 Ų139.885%0.84681%0.809SS**  trans-74.192.2170.440169.5000110.6G5 V9G5-I7 PolarHBondContact O-N 2.7Å; G5-I7 VanDerWaalsContact O-N 3.08Å; I7-V9 PolarHBondContact O-N 3.21Å; I7-V9 VanDerWaalsContact O-N 3.17Å
8H33.5Very low35.7Very low171 Ų171137.5 Ų137.579%0.79280%0.802SS**  trans-61.1114.5174.1-82.7-92000112.1D6 L10D6-H8 PolarHBondContact O-N 2.69Å; D6-H8 VanDerWaalsContact O-N 3.11Å; H8-L10 PolarHBondContact O-N 3.3Å
9V40.4Very low36.3Very low146 Ų146136.7 Ų136.789%0.88580%0.802SS**  trans-71106.9160.3176.70000108.1I7I7-V9 PolarHBondContact O-N 3.21Å; I7-V9 VanDerWaalsContact O-N 3.17Å
10L32.3Very low38.1Very low154 Ų154139.7 Ų139.781%0.80680%0.799SS**  trans-127.9100.6167.9-169.661.7000111.3H8 Q12H8-L10 PolarHBondContact O-N 3.3Å; L10-Q12 PolarHBondContact O-N 3.44Å
11R37.2Very low39.9Very low186 Ų186136 Ų13670%0.70278%0.775SS**  trans-16.4101.1151.5178.8-176178.2-74.8-0.3112.7D13R11-D13 IonicContact CZ-OD1 3.77Å; R11-D13 IonicContact NH1-OD1 2.69Å; R11-D13 PolarHBondContact NH1-OD1 3.49Å
12Q33.4Very low42.1Very low189 Ų189128.2 Ų128.288%0.88374%0.742SS**  trans-80121.2179.8-167.4168.84500110.4L10L10-Q12 PolarHBondContact O-N 3.44Å
13D30.8Very low43.9Very low112 Ų112125.9 Ų125.960%0.59973%0.73SS**  trans-72.2154.6-177.9-70.4-66.2000113R11 G15R11-D13 IonicContact CZ-OD1 3.77Å; R11-D13 IonicContact NH1-OD1 2.69Å; R11-D13 PolarHBondContact NH1-OD1 3.49Å; D13-G15 PolarHBondContact O-N 3.22Å
14S37.8Very low46.2Very low137 Ų137129.6 Ų129.696%0.95872%0.72SS**SBendtrans-7554.7178.858.60000112.7
15G41.2Very low48.8Very low60 Ų60130.5 Ų130.562%0.61970%0.699SS**  trans-118.725-17000000115.3D13D13-G15 PolarHBondContact O-N 3.22Å
16Q31.4Very low51.6Low175 Ų175132.6 Ų132.682%0.81869%0.688SS**  trans-119.493.4172.1-80.7-71.4-78.100110S18Q16-S18 VanDerWaalsContact C-N 3.3Å; Q16-S18 PolarHBondContact O-N 2.81Å
17E35.3Very low53.8Low153 Ų153129.4 Ų129.472%0.71567%0.668SS**  trans-70.689169.6-172.9171.4-173.600109.6
18S43.6Very low55.9Low98 Ų98125.1 Ų125.169%0.68565%0.646SS**  trans-54.6132163.5-71.50000108.9Q16 R20Q16-S18 VanDerWaalsContact C-N 3.3Å; Q16-S18 PolarHBondContact O-N 2.81Å; S18-R20 PolarHBondContact O-N 2.88Å
19P48.3Very low58.4Low123 Ų123121.8 Ų121.880%0.79963%0.633SS**  trans-47.3111-171-32.335.8000112.4M21P19-M21 VanDerWaalsContact C-N 3.3Å; P19-M21 PolarHBondContact O-N 2.9Å
20R71Confident60.6Low196 Ų196121.4 Ų121.474%0.7462%0.622SS**  trans-65.286.4-166.8-174.4174.2179.7161.40.1110.5S18 R26S18-R20 PolarHBondContact O-N 2.88Å; R20-R26 VanDerWaalsContact CG-NH2 3.27Å
21M77.7Confident63.1Low61 Ų61121.2 Ų121.230%0.361%0.611SS.*  trans-33.3134.2-171.2-76.2169.545.300113.8P19 K25 R26 L29P19-M21 VanDerWaalsContact C-N 3.3Å; P19-M21 PolarHBondContact O-N 2.9Å; M21-K25 HydrophobicContact CE-CB 4.13Å; M21-K25 HydrophobicContact CE-CD 4.17Å; M21-K25 HydrophobicContact CE-CG 3.94Å; M21-K25 WeakPolarHBondContact CE-O 2.96Å; M21-K25 HydrophobicContact CG-CD 4.33Å; M21-R26 HydrophobicContact CB-CG 4.36Å; M21-R26 HydrophobicContact CE-CG 4.27Å; M21-R26 PolarHBondContact O-NH1 3.48Å; M21-R26 PolarHBondContact O-NH2 2.89Å; M21-L29 HydrophobicContact CE-CD1 3.64Å
22P80.9Confident65.1Low70 Ų70121.2 Ų121.246%0.45561%0.611SS.*  trans-51.7147.6173.8-29.236.6000112.3W24 K25 R26P22-W24 VanDerWaalsContact C-N 3.34Å; P22-W24 HydrophobicContact CB-CG 4.4Å; P22-W24 PolarHBondContact O-N 3.3Å; P22-K25 WeakPolarHBondContact O-CA 3.21Å; P22-K25 WeakPolarHBondContact O-CB 3.43Å; P22-K25 PolarHBondContact O-N 3.41Å; P22-R26 PolarHBondContact O-N 2.8Å
23A75.8Confident67.3Low73 Ų73120.6 Ų120.660%0.60361%0.605SS**Hα-helixtrans-52.3-49.7-174.300000112.4K25 R26 E27A23-K25 PolarHBondContact O-N 2.73Å; A23-K25 VanDerWaalsContact O-N 3.14Å; A23-R26 WeakPolarHBondContact O-CB 3.37Å; A23-R26 PolarHBondContact O-N 3.34Å; A23-E27 WeakPolarHBondContact O-CB 3.33Å; A23-E27 PolarHBondContact O-N 3.08Å
24W82.6Confident69Low158 Ų158119.5 Ų119.560%0.59861%0.611SS**Hα-helixtrans-55.1-32.2175.970.5-99.6000113.6P22 I28P22-W24 VanDerWaalsContact C-N 3.34Å; P22-W24 HydrophobicContact CB-CG 4.4Å; P22-W24 PolarHBondContact O-N 3.3Å; W24-I28 HydrophobicContact CE3-CD1 3.71Å; W24-I28 HydrophobicContact CZ3-CD1 3.94Å; W24-I28 WeakPolarHBondContact O-CB 3.43Å; W24-I28 WeakPolarHBondContact O-CG1 3.29Å; W24-I28 PolarHBondContact O-N 2.78Å
25K88.9Confident70.5Confident102 Ų102122.4 Ų122.444%0.44361%0.607SS.*Hα-helixtrans-78.7-28179.5-157.6-171.9176179.80111.9M21 P22 A23 L29M21-K25 HydrophobicContact CE-CB 4.13Å; M21-K25 HydrophobicContact CE-CD 4.17Å; M21-K25 HydrophobicContact CE-CG 3.94Å; M21-K25 WeakPolarHBondContact CE-O 2.96Å; M21-K25 HydrophobicContact CG-CD 4.33Å; P22-K25 WeakPolarHBondContact O-CA 3.21Å; P22-K25 WeakPolarHBondContact O-CB 3.43Å; P22-K25 PolarHBondContact O-N 3.41Å; A23-K25 PolarHBondContact O-N 2.73Å; A23-K25 VanDerWaalsContact O-N 3.14Å; K25-L29 PolarHBondContact O-N 2.98Å
26R89.9Confident71.1Confident108 Ų108121.8 Ų121.841%0.40860%0.6SS.*Hα-helixtrans-68.1-50.8165.3-68.9-167.4-173.570.524.6110.2R20 M21 P22 A23 I28 L29 E30R20-R26 VanDerWaalsContact CG-NH2 3.27Å; M21-R26 HydrophobicContact CB-CG 4.36Å; M21-R26 HydrophobicContact CE-CG 4.27Å; M21-R26 PolarHBondContact O-NH1 3.48Å; M21-R26 PolarHBondContact O-NH2 2.89Å; P22-R26 PolarHBondContact O-N 2.8Å; A23-R26 WeakPolarHBondContact O-CB 3.37Å; A23-R26 PolarHBondContact O-N 3.34Å; R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 PolarHBondContact O-N 2.99Å; R26-L29 CarbonylContact O-C 3.48Å; R26-L29 WeakPolarHBondContact O-CA 3.34Å; R26-L29 WeakPolarHBondContact O-CB 3.23Å; R26-L29 PolarHBondContact O-N 2.87Å; R26-E30 WeakPolarHBondContact O-CB 3.47Å; R26-E30 PolarHBondContact O-N 3Å
27E80.8Confident72Confident80 Ų80117.1 Ų117.137%0.37460%0.599SS.*Hα-helixtrans-57-39.1-177.5-163.5-169.6158.900112.3A23 R31A23-E27 WeakPolarHBondContact O-CB 3.33Å; A23-E27 PolarHBondContact O-N 3.08Å; E27-R31 VanDerWaalsContact CD-NH1 3.28Å; E27-R31 WeakPolarHBondContact O-CB 3.29Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.14Å; E27-R31 IonicContact OE1-NH1 2.77Å; E27-R31 PolarHBondContact OE1-NH1 3.43Å; E27-R31 IonicContact OE1-NH2 3.11Å; E27-R31 PolarHBondContact OE1-NH2 3.38Å
28I81.8Confident72.1Confident76 Ų76116.5 Ų116.539%0.3961%0.606SS.*Hα-helixtrans-67.5-40.8171.7-73.2178000112.2W24 R26 R32W24-I28 HydrophobicContact CE3-CD1 3.71Å; W24-I28 HydrophobicContact CZ3-CD1 3.94Å; W24-I28 WeakPolarHBondContact O-CB 3.43Å; W24-I28 WeakPolarHBondContact O-CG1 3.29Å; W24-I28 PolarHBondContact O-N 2.78Å; R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 PolarHBondContact O-N 2.99Å; I28-R32 HydrophobicContact CG2-CG 4.47Å; I28-R32 WeakPolarHBondContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CG 3.23Å; I28-R32 PolarHBondContact O-N 3.17Å
29L85.4Confident72.1Confident100 Ų100117.6 Ų117.652%0.52461%0.613SS.*Hα-helixtrans-70.1-35.1178.3-109.5156.6000112.1M21 K25 R26 R32 K33M21-L29 HydrophobicContact CE-CD1 3.64Å; K25-L29 PolarHBondContact O-N 2.98Å; R26-L29 CarbonylContact O-C 3.48Å; R26-L29 WeakPolarHBondContact O-CA 3.34Å; R26-L29 WeakPolarHBondContact O-CB 3.23Å; R26-L29 PolarHBondContact O-N 2.87Å; L29-R32 PolarHBondContact O-N 3.42Å; L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 3.01Å
30E86.5Confident71.4Confident138 Ų138116.8 Ų116.865%0.64562%0.617SS**Hα-helixtrans-66.4-48.2172.4-176.7166.2-140.700111.2R26 R32 K33 A34R26-E30 WeakPolarHBondContact O-CB 3.47Å; R26-E30 PolarHBondContact O-N 3Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 2.93Å; E30-K33 PolarHBondContact O-N 3.27Å; E30-K33 VanDerWaalsContact O-N 3.08Å; E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 3.1Å
31R84.6Confident69.5Low150 Ų150110.7 Ų110.757%0.56662%0.615SS**Hα-helixtrans-58.8-38.3170.7-76.8-178.6-179.9119.313.2112.5E27 K35E27-R31 VanDerWaalsContact CD-NH1 3.28Å; E27-R31 WeakPolarHBondContact O-CB 3.29Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.14Å; E27-R31 IonicContact OE1-NH1 2.77Å; E27-R31 PolarHBondContact OE1-NH1 3.43Å; E27-R31 IonicContact OE1-NH2 3.11Å; E27-R31 PolarHBondContact OE1-NH2 3.38Å; R31-K35 WeakPolarHBondContact O-CB 3.46Å; R31-K35 PolarHBondContact O-N 2.95Å
32R79.6Confident67.3Low186 Ų186116 Ų11670%0.70265%0.645SS**Hα-helixtrans-71.1-29.2175.2-73173.391.4133.93.9112.7I28 L29 E30 G36I28-R32 HydrophobicContact CG2-CG 4.47Å; I28-R32 WeakPolarHBondContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CG 3.23Å; I28-R32 PolarHBondContact O-N 3.17Å; L29-R32 PolarHBondContact O-N 3.42Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 2.93Å; R32-G36 VanDerWaalsContact O-CA 3.3Å; R32-G36 WeakPolarHBondContact O-CA 3.19Å; R32-G36 PolarHBondContact O-N 3.46Å
33K78.5Confident65.2Low176 Ų176118.3 Ų118.377%0.76566%0.66SS**Hα-helixtrans-76.1-40.6173.9-167166.8-176.11750111.8L29 E30 G36L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 3.01Å; E30-K33 PolarHBondContact O-N 3.27Å; E30-K33 VanDerWaalsContact O-N 3.08Å; K33-G36 PolarHBondContact O-N 2.78Å
34A68.4Low62.9Low89 Ų89119.3 Ų119.374%0.73667%0.668SS**Hα-helixtrans-66.3-36.5172.700000112.7E30 G36E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 3.1Å; A34-G36 VanDerWaalsContact C-N 3.32Å
35K68.7Low61Low199 Ų199117.9 Ų117.987%0.86568%0.679SS**THydrogen-bonded Turntrans-88.74.4175.1-161.9163-177.6171.70113.6R31R31-K35 WeakPolarHBondContact O-CB 3.46Å; R31-K35 PolarHBondContact O-N 2.95Å
36G54Low58.1Low46 Ų46121.7 Ų121.747%0.47470%0.699SS.*  trans-123.735.8-174.800000112.8R32 K33 A34 V38R32-G36 VanDerWaalsContact O-CA 3.3Å; R32-G36 WeakPolarHBondContact O-CA 3.19Å; R32-G36 PolarHBondContact O-N 3.46Å; K33-G36 PolarHBondContact O-N 2.78Å; A34-G36 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 2.82Å
37G48.8Very low55.2Low77 Ų77123.6 Ų123.679%0.79472%0.722SS**  trans-7456.7-178.700000114.7
38V39.1Very low52.7Low141 Ų141125 Ų12586%0.85574%0.741SS**  trans-122.2126166.9-178.90000108.2G36G36-V38 PolarHBondContact O-N 2.82Å
39S42Very low50.7Low121 Ų121127.4 Ų127.485%0.84676%0.762SS**  trans-93.2124.8-163.7-173.90000113.8
40A33.7Very low47.9Very low105 Ų105126.6 Ų126.687%0.86878%0.777SS**  trans-165.1132.2148.800000108.4
41G31.4Very low44.9Very low69 Ų69123.8 Ų123.871%0.71179%0.785SS**  cis-175.4146.2-11.100000108.4
42N31.4Very low42.2Very low172 Ų172121.3 Ų121.392%0.9280%0.797SS**  trans-76.9137.3178.3-98.3-17.1000111
43P36.7Very low39.7Very low118 Ų118117.6 Ų117.677%0.76681%0.806SS**  trans-92125.7176.533.8-31.5000112.4
44A27.3Very low37.2Very low94 Ų94112.5 Ų112.578%0.77780%0.803SS**  trans164.1156.3150.500000111.2
45P42.7Very low35.5Very low128 Ų128113.6 Ų113.683%0.83181%0.805SS**  cis-121.6-168-24.136.9-20.1000112.1
46E28.2Very low33.6Very low183 Ų183111.6 Ų111.686%0.85580%0.799SS**  trans-66.8153.1-164.8-48.5-175.6133.400116.6
47T29.7Very low32.5Very low147 Ų147116.9 Ų116.990%0.90281%0.811SS**  -152.3127.3126.4-5.20000110.6
48S28Very low31.9Very low111 Ų111118.5 Ų118.578%0.77681%0.805SS**  trans-85.7171.9165.8-850000110.3
49P41.1Very low31.5Very low126 Ų126119.3 Ų119.382%0.81881%0.805SS**  cis-138.1166.613.240.7-23.3000118
50G24.7Very low30.9Very low82 Ų82117.3 Ų117.385%0.84580%0.803SS**  102.4142.6129.300000120.4
51G24.6Very low30.8Very low79 Ų79119.8 Ų119.881%0.81480%0.802SS**  trans116.586.3140.800000120.2
52A26.8Very low31Very low98 Ų98121.7 Ų121.781%0.8180%0.799SS**  trans48.7117.7132.200000123.8
53A27.9Very low31.1Very low109 Ų109120.4 Ų120.490%0.90180%0.798SS**  67.7154.1119.300000123.7
54G26.9Very low30.7Very low68 Ų68118.7 Ų118.770%0.70180%0.802SS**  trans99.6122.3173.100000113.3
55S31.7Very low30.7Very low112 Ų112121.7 Ų121.778%0.78381%0.805SS**  cis94.6151.619.491.80000116.7
56H30.1Very low30.1Very low158 Ų158121.1 Ų121.173%0.73180%0.799SS**  trans76.9128.3-174.5-74.5-108.2000116.6
57H30.5Very low30.1Very low156 Ų156120.2 Ų120.272%0.72280%0.8SS**  78.514052.1-69.6-63.8000111.8
58V35.3Very low30.1Very low111 Ų111116.2 Ų116.267%0.67379%0.788SS**  cis-161.5165.58.8-110.30000112.4
59N31.2Very low30Very low159 Ų159119.2 Ų119.285%0.8580%0.795SS**  trans25.8149143-55.4-0.2000123.4
60G28.6Very low29.4Very low79 Ų79116.7 Ų116.781%0.81479%0.792SS**  trans175.8120.815100000112.6
61D31.9Very low29.4Very low156 Ų156117 Ų11783%0.83480%0.795SS**  trans-145.5165-171.9-152.9-16.7000112.4
62V35.4Very low29.5Very low109 Ų109116.7 Ų116.766%0.66179%0.792SS**  trans79.9139.4158.2172.60000121.3
63T33.6Very low29.7Very low145 Ų145118.3 Ų118.389%0.8980%0.797SS**  trans75.8135.6162.142.40000122.6
64G27.8Very low29.8Very low83 Ų83117 Ų11786%0.85679%0.787SS**  trans152.487.2163.200000113.2
65N28.6Very low30.1Very low157 Ų157124.2 Ų124.284%0.8479%0.793SS**  trans-110.1161.6-175.4-163.416.1000112.9
66V29.4Very low30.1Very low116 Ų116128 Ų12870%0.70379%0.79SS**  trans66.8108.9170179.90000116.5
67N29.2Very low30.1Very low164 Ų164126.6 Ų126.688%0.87779%0.788SS**  -156.7165.2101.7-137.7-4.8000111.1
68G28.4Very low30Very low63 Ų63123.3 Ų123.365%0.64980%0.796SS**  trans-161.1175.7-178.700000116.9
69N26.9Very low29.7Very low174 Ų174121.7 Ų121.793%0.9380%0.801SS**  trans76.4125.7166.8-167.148000119.8
70G27.1Very low30Very low72 Ų72119.2 Ų119.274%0.74280%0.803SS**  trans112.6116.5143.900000118.1
71G26Very low30.3Very low89 Ų89120.4 Ų120.492%0.91880%0.799SS**  trans153.3103.6166.500000113.3
72G27.3Very low30.2Very low73 Ų73114.9 Ų114.975%0.75378%0.779SS**  trans-108.9178.3-171.600000116.3
73S29.5Very low30.2Very low131 Ų131116 Ų11692%0.91679%0.786SS**  trans68.4134.1172.8-53.40000115.7
74A31.4Very low30.3Very low82 Ų82113.7 Ų113.768%0.67878%0.776SS**  cis-173.2157.53100000114.2
75R31.5Very low30.5Very low220 Ų220113 Ų11383%0.8377%0.769SS**  trans76.4128142.1-73.2174.5-174.6-76.21.2123.4
76R32.6Very low30.9Very low192 Ų192116.5 Ų116.573%0.72577%0.771SS**  trans93112.4136.6-78.6-168.3177.8-78.86.6122.3
77D29.7Very low31.1Very low128 Ų128119 Ų11968%0.68478%0.78SS**  77.4119.4123.3-49.4-15.2000122.9
78G27.7Very low31.3Very low87 Ų87121 Ų12190%0.89778%0.777SS**  trans103.6137.4157.400000116.9
79G30.7Very low31.7Very low76 Ų76124 Ų12478%0.78478%0.782SS**  cis159.687.4-16.100000117.7
80A37.1Very low32.1Very low107 Ų107122.9 Ų122.988%0.88478%0.775SS**  trans62.7170.8162.800000117
81S35.5Very low32.5Very low104 Ų104125.2 Ų125.273%0.72778%0.775SS**  cis-155.9131.8-6.1-168.90000110.4
82G28.7Very low33Very low41 Ų41127.3 Ų127.342%0.42377%0.77SS.*  trans-88.4156.2175.200000115.2E731G82-E731 WeakPolarHBondContact CA-OE1 3.46Å
83V35.7Very low33.3Very low131 Ų131128.4 Ų128.479%0.79477%0.772SS**  trans-136.2135.7179.6173.60000112
84S34.8Very low33.7Very low97 Ų97127.1 Ų127.168%0.67876%0.763SS**  trans-73.1122.9-174.71680000114.1
85G31.7Very low34Very low70 Ų70130.6 Ų130.672%0.72277%0.765SS**  trans-75140.1156.400000111.4
86R38.5Very low34.1Very low230 Ų230128.5 Ų128.587%0.86876%0.764SS**  trans-107118-179.8-63.8179.2-177.4172.51110.9
87N33.3Very low34.3Very low167 Ų167128.4 Ų128.489%0.89377%0.77SS**  trans-85.8142.5168.9-66.1-42.7000110.4
88Y33.3Very low34.6Very low208 Ų208127.1 Ų127.182%0.81678%0.777SS**  trans-113.4137167.155-96000110.2
89T36.1Very low34.9Very low124 Ų124130.7 Ų130.776%0.76178%0.775SS**  trans-105.7130.7-174.8-53.60000110.2
90I36.3Very low35.2Very low152 Ų152135 Ų13578%0.77978%0.78SS**  trans-85.9113.3174-60175.3000108.6
91T35Very low35.4Very low120 Ų120138.8 Ų138.874%0.73678%0.777SS**  trans-99.9121.6178.5-57.10000110.7A93T91-A93 PolarHBondContact O-N 3.17Å
92T36.2Very low35.6Very low134 Ų134142 Ų14282%0.82278%0.78SS**  trans-83.1108.517239.20000110.7S94T92-S94 PolarHBondContact O-N 2.84Å
93A34.7Very low37Very low95 Ų95145 Ų14579%0.78579%0.793SS**  trans-79.7114.7179.600000111.7T91T91-A93 PolarHBondContact O-N 3.17Å
94S36.6Very low36.7Very low105 Ų105150.7 Ų150.773%0.73480%0.799SS**  trans-78140.4166.5-167.80000110.4T92T92-S94 PolarHBondContact O-N 2.84Å
95Q38.3Very low36.4Very low155 Ų155150.4 Ų150.472%0.72480%0.803SS**  trans-82.4123.3-176.3-63.6179.326.600111.7F97Q95-F97 HydrophobicContact CB-CE2 4.5Å
96H34.1Very low36.4Very low176 Ų176151.6 Ų151.682%0.81581%0.806SS**  trans-121.8120.9161.9-74.5-83.7000109.6
97F36.5Very low35.9Very low190 Ų190145.8 Ų145.883%0.83381%0.807SS**  trans-91.3120.9174.8-74.9-90.5000110.7Q95Q95-F97 HydrophobicContact CB-CE2 4.5Å
98A36.3Very low35.9Very low101 Ų101142.5 Ų142.584%0.83580%0.804SS**  trans-148.7128.1162.200000109.5
99N34.6Very low36Very low161 Ų161141 Ų14186%0.86180%0.804SS**  trans-87.5144177.6-76.7-56.1000111
100N35.6Very low35.9Very low168 Ų168146.6 Ų146.690%0.89881%0.811SS**  trans-162161.1135.4-108.8-39.2000114.5
101K42Very low35.8Very low186 Ų186144.9 Ų144.981%0.80981%0.808SS**  trans-84.9165.8175.5-77.6175.6-178.4178.40110.7
102E39Very low35.9Very low172 Ų172143.9 Ų143.980%0.80481%0.812SS**  cis-152.7-174.73.4-125.2-165.79300108.7
103P59.1Low36Very low104 Ų104142.7 Ų142.768%0.67581%0.806SS**  trans-102.6158.2-158.339.5-39.8000118.1
104R27.9Very low36.6Very low249 Ų249149.3 Ų149.394%0.9481%0.811SS**  trans-154.5159.4141.7-145.7167.8178.588.9-0.3112.5
105A30.1Very low36.9Very low91 Ų91152.8 Ų152.875%0.75282%0.815SS**  trans-104160-172.200000113.8
106A30.3Very low37.5Very low96 Ų96150.4 Ų150.479%0.79382%0.816SS**  165.6144.3111.900000114.1
107A28.5Very low38.3Very low107 Ų107148.6 Ų148.688%0.88481%0.812SS**  trans60.5149.4162.500000118.1
108A32.7Very low38.9Very low99 Ų99146 Ų14682%0.81881%0.811SS**  cis-144.5167.513.800000112.9
109E36.6Very low39.6Very low176 Ų176149.4 Ų149.482%0.82281%0.814SS**  trans-77.3155.1175.9-62.3176.683.800114.1
110R33Very low40.3Very low241 Ų241149.2 Ų149.291%0.90981%0.808SS**  -167.4102.1127.3-105.9166.2-170.3-151.20.7114.2
111T35.6Very low41.3Very low117 Ų117149.4 Ų149.472%0.71880%0.804SS**  trans24.9113.3141.1560000121.6
112A37Very low41.9Very low98 Ų98145.9 Ų145.981%0.8180%0.803SS**  trans62.4153.8132.400000120.5
113P37.8Very low42.7Very low109 Ų109146 Ų14671%0.70881%0.808SS**  cis-118.2-1711842-29.5000116.1
114R46.9Very low42.9Very low234 Ų234143.1 Ų143.188%0.88380%0.797SS**  trans-104.965.8-165-69.6175.6153.5-162.7-4.3114.3
115E43.8Very low45.2Very low178 Ų178135 Ų13583%0.83278%0.777SS**  trans-130.338.4-173.1-68.2178.9-114.100114.5
116S49.8Very low46.9Very low105 Ų105136.6 Ų136.673%0.73477%0.772SS**  trans-155.967.2170.2-149.90000112.9
117L50.7Low48.6Very low138 Ų138137 Ų13772%0.72376%0.758SS**  trans-132.218.4-176.8-73174.4000114.2
118V50.4Low50.9Low136 Ų136137.4 Ų137.482%0.82474%0.741SS**SBendtrans-113.4-13.5-175.7-159.10000113.2
119L50.5Low53.4Low173 Ų173136 Ų13691%0.90672%0.72SS**SBendtrans-125.59.1177.3-68.5176.1000113.7E121L119-E121 PolarHBondContact O-N 2.98Å
120Q49.8Very low55.8Low156 Ų156132 Ų13273%0.72971%0.709SS**  trans-91.441.8162.9-157.9175.610.100110.1S122Q120-S122 PolarHBondContact O-N 2.95Å
121E55Low58.4Low172 Ų172127.5 Ų127.580%0.80470%0.696SS**  trans-62.6121.1163.1-177.5172.9-162.600107.2L119 L123L119-E121 PolarHBondContact O-N 2.98Å; E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 2.81Å
122S55Low60.8Low113 Ų113124.5 Ų124.579%0.7968%0.676SS**  trans-69.488.6-171.5-62.90000111.2Q120 G124Q120-S122 PolarHBondContact O-N 2.95Å; S122-G124 VanDerWaalsContact C-N 3.26Å; S122-G124 PolarHBondContact O-N 3.45Å
123L56.5Low63.2Low173 Ų173125.2 Ų125.291%0.90666%0.66SS**  trans-55.398.5153.7-66.6-179.7000107.2E121E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 2.81Å
124G64Low65.6Low44 Ų44126 Ų12645%0.45466%0.658SS.*  trans-56.2167170.100000110.5S122 L126S122-G124 VanDerWaalsContact C-N 3.26Å; S122-G124 PolarHBondContact O-N 3.45Å; G124-L126 PolarHBondContact O-N 3.46Å; G124-L126 VanDerWaalsContact O-N 3.16Å
125P74.8Confident67.6Low80 Ų80117.2 Ų117.252%0.51963%0.627SS.*  trans-45.8128-178.2-26.433.8000110.3E127 E128P125-E127 PolarHBondContact O-N 2.98Å; P125-E128 HydrophobicContact CB-CG 4.21Å; P125-E128 HydrophobicContact CG-CG 4.46Å; P125-E128 WeakPolarHBondContact O-CA 3.4Å; P125-E128 VanDerWaalsContact O-CB 3.29Å; P125-E128 WeakPolarHBondContact O-CB 3.29Å; P125-E128 PolarHBondContact O-N 3.39Å
126L65.3Low69.8Low124 Ų124114.5 Ų114.565%0.64961%0.612SS**G310 helixtrans-58.7-29.2-169.8-176.959.7000112.4G124 E128 N129 I132G124-L126 PolarHBondContact O-N 3.46Å; G124-L126 VanDerWaalsContact O-N 3.16Å; L126-E128 PolarHBondContact O-N 2.92Å; L126-N129 WeakPolarHBondContact O-CB 3.4Å; L126-N129 PolarHBondContact O-N 3.16Å; L126-I132 HydrophobicContact CD1-CG1 4.07Å; L126-I132 HydrophobicContact CG-CG1 4.22Å; L126-I132 WeakPolarHBondContact O-CB 3.4Å
127E67.2Low71.7Confident104 Ų104112.4 Ų112.449%0.48659%0.591SS.*G310 helixtrans-53.2-24.5168.3-147.873.3-138.700114.6P125 K133 K136P125-E127 PolarHBondContact O-N 2.98Å; E127-K133 WeakPolarHBondContact O-CE 3.26Å; E127-K133 VanDerWaalsContact O-CG 3.3Å; E127-K133 WeakPolarHBondContact O-CG 3.09Å; E127-K136 WeakPolarHBondContact OE1-CD 3.41Å; E127-K136 IonicContact OE1-NZ 2.9Å; E127-K136 PolarHBondContact OE1-NZ 3.35Å
128E76.1Confident73.5Confident115 Ų115111 Ų11154%0.53758%0.576SS.*G310 helixtrans-87.1-20-178.4-70-175-164.100114.1P125 L126 K133P125-E128 HydrophobicContact CB-CG 4.21Å; P125-E128 HydrophobicContact CG-CG 4.46Å; P125-E128 WeakPolarHBondContact O-CA 3.4Å; P125-E128 VanDerWaalsContact O-CB 3.29Å; P125-E128 WeakPolarHBondContact O-CB 3.29Å; P125-E128 PolarHBondContact O-N 3.39Å; L126-E128 PolarHBondContact O-N 2.92Å; E128-K133 VanDerWaalsContact CA-NZ 3.32Å; E128-K133 WeakPolarHBondContact O-CD 3.4Å; E128-K133 WeakPolarHBondContact O-CE 3.48Å; E128-K133 PolarHBondContact O-NZ 3.24Å
129N85.6Confident75.2Confident69 Ų69110.5 Ų110.537%0.36956%0.559SS.*SBendtrans-57.2127.7178.5179.2-28.5000110L126 F131 I132 K133L126-N129 WeakPolarHBondContact O-CB 3.4Å; L126-N129 PolarHBondContact O-N 3.16Å; N129-F131 PolarHBondContact O-N 3.31Å; N129-F131 WeakPolarHBondContact OD1-CB 3.27Å; N129-F131 PolarHBondContact OD1-N 3.41Å; N129-I132 HydrophobicContact CB-CB 4.18Å; N129-I132 HydrophobicContact CB-CG1 3.89Å; N129-I132 PolarHBondContact O-N 3.28Å; N129-K133 PolarHBondContact O-N 3.34Å
130P86Confident77Confident92 Ų92108.4 Ų108.460%0.59754%0.543SS*.Hα-helixtrans-58.7-32.2-177.523.4-34.2000113L134P130-L134 WeakPolarHBondContact O-CB 3.45Å; P130-L134 WeakPolarHBondContact O-CG 3.46Å; P130-L134 PolarHBondContact O-N 2.88Å
131F87.9Confident78.8Confident147 Ų147108.8 Ų108.865%0.64554%0.538SS*.Hα-helixtrans-64.9-44.8174.2-179.7-97.5000111.8N129 L134 E135N129-F131 PolarHBondContact O-N 3.31Å; N129-F131 WeakPolarHBondContact OD1-CB 3.27Å; N129-F131 PolarHBondContact OD1-N 3.41Å; F131-L134 PolarHBondContact O-N 3.25Å; F131-E135 WeakPolarHBondContact O-CB 3.25Å; F131-E135 PolarHBondContact O-N 2.88Å
132I86.3Confident80.2Confident55 Ų55104.6 Ų104.628%0.28252%0.518SS..Hα-helixtrans-67.1-40.8178.5-59.6-63000110.8L126 N129 E135 K136L126-I132 HydrophobicContact CD1-CG1 4.07Å; L126-I132 HydrophobicContact CG-CG1 4.22Å; L126-I132 WeakPolarHBondContact O-CB 3.4Å; N129-I132 HydrophobicContact CB-CB 4.18Å; N129-I132 HydrophobicContact CB-CG1 3.89Å; N129-I132 PolarHBondContact O-N 3.28Å; I132-E135 PolarHBondContact O-N 2.87Å; I132-K136 WeakPolarHBondContact O-CB 3.45Å; I132-K136 PolarHBondContact O-N 3.01Å
133K87.9Confident81.7Confident112 Ų112102.4 Ų102.449%0.48750%0.497SS..Hα-helixtrans-59.7-46.5172.7-74.4173.1169.6148.30112.2E127 E128 N129 K136 E137E127-K133 WeakPolarHBondContact O-CE 3.26Å; E127-K133 VanDerWaalsContact O-CG 3.3Å; E127-K133 WeakPolarHBondContact O-CG 3.09Å; E128-K133 VanDerWaalsContact CA-NZ 3.32Å; E128-K133 WeakPolarHBondContact O-CD 3.4Å; E128-K133 WeakPolarHBondContact O-CE 3.48Å; E128-K133 PolarHBondContact O-NZ 3.24Å; N129-K133 PolarHBondContact O-N 3.34Å; K133-K136 PolarHBondContact O-N 3.14Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 PolarHBondContact O-N 2.77Å
134L88.7Confident83.1Confident127 Ų127103.7 Ų103.767%0.66549%0.49SS*.Hα-helixtrans-66.7-42.7179-74.7169.3000111.9P130 F131 E137 R138P130-L134 WeakPolarHBondContact O-CB 3.45Å; P130-L134 WeakPolarHBondContact O-CG 3.46Å; P130-L134 PolarHBondContact O-N 2.88Å; F131-L134 PolarHBondContact O-N 3.25Å; L134-E137 PolarHBondContact O-N 2.96Å; L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.21Å; L134-R138 PolarHBondContact O-N 3.21Å
135E88.9Confident84.2Confident48 Ų48107.2 Ų107.222%0.22450%0.495CS..Hα-helixtrans-66.2-38.8176.217559.1-171.200111.9F131 I132 R138 R139F131-E135 WeakPolarHBondContact O-CB 3.25Å; F131-E135 PolarHBondContact O-N 2.88Å; I132-E135 PolarHBondContact O-N 2.87Å; E135-R138 PolarHBondContact O-N 2.74Å; E135-R138 IonicContact OE1-CZ 3.43Å; E135-R138 IonicContact OE1-NE 3.44Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 3.41Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NE 2.98Å; E135-R138 PolarHBondContact OE2-NE 2.95Å; E135-R138 IonicContact OE2-NH2 3.34Å; E135-R138 PolarHBondContact OE2-NH2 3.45Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 3.43Å; E135-R139 IonicContact OE1-CZ 2.58Å; E135-R139 VanDerWaalsContact OE1-CZ 3.23Å; E135-R139 IonicContact OE1-NE 3.21Å; E135-R139 PolarHBondContact OE1-NE 3.33Å; E135-R139 IonicContact OE1-NH2 3.39Å; E135-R139 PolarHBondContact OE1-NH2 3.42Å
136K89.7Confident84.7Confident122 Ų122104.7 Ų104.753%0.5348%0.477SS..Hα-helixtrans-66.6-41.1175.8-168.7173.2-169.8175.20112.3E127 I132 K133 K140E127-K136 WeakPolarHBondContact OE1-CD 3.41Å; E127-K136 IonicContact OE1-NZ 2.9Å; E127-K136 PolarHBondContact OE1-NZ 3.35Å; I132-K136 WeakPolarHBondContact O-CB 3.45Å; I132-K136 PolarHBondContact O-N 3.01Å; K133-K136 PolarHBondContact O-N 3.14Å; K136-K140 VanDerWaalsContact O-CB 3.28Å; K136-K140 WeakPolarHBondContact O-CB 3.3Å; K136-K140 PolarHBondContact O-N 2.98Å
137E88.4Confident85.5Confident60 Ų60100.1 Ų100.128%0.2846%0.457SS..Hα-helixtrans-70.6-34.4173.1174.362.8-168.900111.9K133 L134 K140 R141K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 PolarHBondContact O-N 2.77Å; L134-E137 PolarHBondContact O-N 2.96Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE2-NZ 3Å; E137-K140 PolarHBondContact OE2-NZ 3.22Å; E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.25Å; E137-R141 PolarHBondContact O-N 3.31Å; E137-R141 IonicContact OE1-CZ 2.81Å; E137-R141 IonicContact OE1-NE 2.71Å; E137-R141 PolarHBondContact OE1-NE 2.88Å; E137-R141 IonicContact OE1-NH2 3.86Å; E137-R141 PolarHBondContact OE1-NH2 3.18Å
138R89.4Confident86.5Confident108 Ų10898.9 Ų98.941%0.40847%0.465SS..Hα-helixtrans-62.7-47.2172.8-169.4-160.964.568.34.3111.2L134 E135 R141 Q142L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.21Å; L134-R138 PolarHBondContact O-N 3.21Å; E135-R138 PolarHBondContact O-N 2.74Å; E135-R138 IonicContact OE1-CZ 3.43Å; E135-R138 IonicContact OE1-NE 3.44Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 3.41Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NE 2.98Å; E135-R138 PolarHBondContact OE2-NE 2.95Å; E135-R138 IonicContact OE2-NH2 3.34Å; E135-R138 PolarHBondContact OE2-NH2 3.45Å; R138-R141 PolarHBondContact O-N 3.48Å; R138-Q142 PolarHBondContact O-N 3.26Å
139R87.1Confident87.1Confident126 Ų126100 Ų10048%0.47546%0.464SS..Hα-helixtrans-58.7-53.2173.3-73.2-179.9-170.4-120.4-8.3111E135 R141 Q142 D143E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 3.43Å; E135-R139 IonicContact OE1-CZ 2.58Å; E135-R139 VanDerWaalsContact OE1-CZ 3.23Å; E135-R139 IonicContact OE1-NE 3.21Å; E135-R139 PolarHBondContact OE1-NE 3.33Å; E135-R139 IonicContact OE1-NH2 3.39Å; E135-R139 PolarHBondContact OE1-NH2 3.42Å; R139-R141 PolarHBondContact O-N 3.49Å; R139-Q142 CarbonylContact O-C 3.57Å; R139-Q142 WeakPolarHBondContact O-CA 3.34Å; R139-Q142 VanDerWaalsContact O-CB 3.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.25Å; R139-Q142 PolarHBondContact O-N 2.95Å; R139-D143 PolarHBondContact O-N 3.12Å
140K87.2Confident87.2Confident130 Ų13098 Ų9857%0.56546%0.455SS*.Hα-helixtrans-55.6-29.5177174.7175.3155-124.70114.3K136 E137 D143 R144K136-K140 VanDerWaalsContact O-CB 3.28Å; K136-K140 WeakPolarHBondContact O-CB 3.3Å; K136-K140 PolarHBondContact O-N 2.98Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE2-NZ 3Å; E137-K140 PolarHBondContact OE2-NZ 3.22Å; K140-D143 PolarHBondContact N-OD2 3.35Å; K140-R144 WeakPolarHBondContact O-CB 3.47Å; K140-R144 PolarHBondContact O-N 3.44Å
141R88.3Confident87.4Confident163 Ų16396.4 Ų96.462%0.61544%0.443SS*.Hα-helixtrans-73-46.8170.3-73.8172.2-172.4-156.11.7112E137 R138 R139 R144 E145E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.25Å; E137-R141 PolarHBondContact O-N 3.31Å; E137-R141 IonicContact OE1-CZ 2.81Å; E137-R141 IonicContact OE1-NE 2.71Å; E137-R141 PolarHBondContact OE1-NE 2.88Å; E137-R141 IonicContact OE1-NH2 3.86Å; E137-R141 PolarHBondContact OE1-NH2 3.18Å; R138-R141 PolarHBondContact O-N 3.48Å; R139-R141 PolarHBondContact O-N 3.49Å; R141-R144 WeakPolarHBondContact O-CB 3.49Å; R141-R144 PolarHBondContact O-N 2.89Å; R141-E145 PolarHBondContact O-N 3.31Å
142Q84.7Confident87.5Confident85 Ų8594.4 Ų94.440%0.39744%0.436SS..Hα-helixtrans-58.3-46.9174.2-170.4174.70.400111.2R138 R139 R144 E145 N146R138-Q142 PolarHBondContact O-N 3.26Å; R139-Q142 CarbonylContact O-C 3.57Å; R139-Q142 WeakPolarHBondContact O-CA 3.34Å; R139-Q142 VanDerWaalsContact O-CB 3.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.25Å; R139-Q142 PolarHBondContact O-N 2.95Å; Q142-R144 VanDerWaalsContact C-N 3.27Å; Q142-R144 PolarHBondContact O-N 3.14Å; Q142-E145 PolarHBondContact O-N 2.94Å; Q142-E145 VanDerWaalsContact O-N 3.07Å; Q142-N146 WeakPolarHBondContact O-CB 3.46Å; Q142-N146 PolarHBondContact O-N 3.42Å; Q142-N146 PolarHBondContact O-ND2 3.29Å; Q142-N146 PolarHBondContact O-OD1 3.46Å
143D84.6Confident87.7Confident66 Ų6692.5 Ų92.535%0.35343%0.426SS..Hα-helixtrans-60-36.3175.9-56.9-39.3000112.2R139 K140 A147R139-D143 PolarHBondContact O-N 3.12Å; K140-D143 PolarHBondContact N-OD2 3.35Å; D143-A147 WeakPolarHBondContact O-CB 3.36Å; D143-A147 PolarHBondContact O-N 3.49Å
144R86.3Confident87.8Confident200 Ų20087.5 Ų87.576%0.75540%0.404SS*.Hα-helixtrans-72-33.9175.2-176.9177.2175.8114.5-0112.4K140 R141 Q142 A148K140-R144 WeakPolarHBondContact O-CB 3.47Å; K140-R144 PolarHBondContact O-N 3.44Å; R141-R144 WeakPolarHBondContact O-CB 3.49Å; R141-R144 PolarHBondContact O-N 2.89Å; Q142-R144 VanDerWaalsContact C-N 3.27Å; Q142-R144 PolarHBondContact O-N 3.14Å; R144-A148 WeakPolarHBondContact O-CB 3.16Å; R144-A148 PolarHBondContact O-N 2.82Å; R144-A148 VanDerWaalsContact O-N 3.12Å
145E87.2Confident87.9Confident118 Ų11884.8 Ų84.855%0.55139%0.39SS*.Hα-helixtrans-71.9-46.3174.6-179.3160.2-153.800111.4R141 Q142 A147 A148 R149R141-E145 PolarHBondContact O-N 3.31Å; Q142-E145 PolarHBondContact O-N 2.94Å; Q142-E145 VanDerWaalsContact O-N 3.07Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.48Å; E145-A148 CarbonylContact O-C 3.59Å; E145-A148 WeakPolarHBondContact O-CA 3.41Å; E145-A148 WeakPolarHBondContact O-CB 3.24Å; E145-A148 PolarHBondContact O-N 2.93Å; E145-R149 PolarHBondContact O-N 2.83Å
146N85Confident88Confident27 Ų2788.7 Ų88.714%0.14441%0.408CS..Hα-helixtrans-55.5-48.1173.3-66-7.5000111.1Q142 A148 R149 P150 H153Q142-N146 WeakPolarHBondContact O-CB 3.46Å; Q142-N146 PolarHBondContact O-N 3.42Å; Q142-N146 PolarHBondContact O-ND2 3.29Å; Q142-N146 PolarHBondContact O-OD1 3.46Å; N146-A148 VanDerWaalsContact C-N 3.27Å; N146-A148 PolarHBondContact O-N 3.36Å; N146-R149 CarbonylContact O-C 3.55Å; N146-R149 PolarHBondContact O-N 3.01Å; N146-R149 VanDerWaalsContact O-N 3.15Å; N146-P150 WeakPolarHBondContact O-CA 3.39Å; N146-H153 HydrophobicContact CB-CB 4.25Å; N146-H153 PolarHBondContact ND2-CE1 3.36Å
147A83.3Confident88Confident29 Ų2984.1 Ų84.124%0.2439%0.389CS..Hα-helixtrans-69-20.2176.200000114.1D143 E145D143-A147 WeakPolarHBondContact O-CB 3.36Å; D143-A147 PolarHBondContact O-N 3.49Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.48Å
148A87.2Confident88.1Confident77 Ų7782.1 Ų82.164%0.63638%0.379SS*.Hα-helixtrans-84.9-19.9172.200000112.9R144 E145 N146R144-A148 WeakPolarHBondContact O-CB 3.16Å; R144-A148 PolarHBondContact O-N 2.82Å; R144-A148 VanDerWaalsContact O-N 3.12Å; E145-A148 CarbonylContact O-C 3.59Å; E145-A148 WeakPolarHBondContact O-CA 3.41Å; E145-A148 WeakPolarHBondContact O-CB 3.24Å; E145-A148 PolarHBondContact O-N 2.93Å; N146-A148 VanDerWaalsContact C-N 3.27Å; N146-A148 PolarHBondContact O-N 3.36Å
149R89.7Confident88Confident139 Ų13979.5 Ų79.553%0.52539%0.387SS..SBendtrans-126.153179.5-62.5178.1172.1-115.41.7111.9E145 N146 V151 Q152 H153E145-R149 PolarHBondContact O-N 2.83Å; N146-R149 CarbonylContact O-C 3.55Å; N146-R149 PolarHBondContact O-N 3.01Å; N146-R149 VanDerWaalsContact O-N 3.15Å; R149-V151 VanDerWaalsContact C-N 3.33Å; R149-V151 PolarHBondContact O-N 3.42Å; R149-Q152 HydrophobicContact CB-CB 4.13Å; R149-Q152 WeakPolarHBondContact O-CB 3.09Å; R149-Q152 PolarHBondContact O-N 2.79Å; R149-H153 PolarHBondContact O-N 2.9Å
150P88.3Confident87.9Confident27 Ų2778.3 Ų78.318%0.17540%0.397CS..Hα-helixtrans-59-39.5-16623.5-35.6000114.2N146 Q152 H153 I154 L205 V213N146-P150 WeakPolarHBondContact O-CA 3.39Å; P150-Q152 VanDerWaalsContact C-N 3.32Å; P150-Q152 PolarHBondContact O-N 2.67Å; P150-H153 PolarHBondContact O-N 2.96Å; P150-I154 WeakPolarHBondContact O-CD1 3.46Å; P150-I154 WeakPolarHBondContact O-CG1 3.41Å; P150-I154 PolarHBondContact O-N 3.45Å; P150-L205 HydrophobicContact CB-CD1 3.67Å; P150-L205 HydrophobicContact CB-CD2 3.54Å; P150-L205 HydrophobicContact CB-CG 4.21Å; P150-V213 HydrophobicContact CB-CG2 3.74Å; P150-V213 HydrophobicContact CG-CG2 4.2Å
151V89.1Confident87.9Confident59 Ų5974.2 Ų74.236%0.35838%0.383SS..Hα-helixtrans-65.1-33.6177171.10000112.6R149 L155 I173R149-V151 VanDerWaalsContact C-N 3.33Å; R149-V151 PolarHBondContact O-N 3.42Å; V151-L155 WeakPolarHBondContact O-CB 3.42Å; V151-L155 PolarHBondContact O-N 3.11Å; V151-I173 HydrophobicContact CB-CD1 4.41Å; V151-I173 HydrophobicContact CG1-CD1 4.1Å; V151-I173 HydrophobicContact CG2-CD1 4.42Å
152Q90.8Very high87.9Confident105 Ų10570.3 Ų70.349%0.49138%0.379SS..Hα-helixtrans-74.6-43.9177.2-172.9175.2-12.100110.2R149 P150 L155 E156R149-Q152 HydrophobicContact CB-CB 4.13Å; R149-Q152 WeakPolarHBondContact O-CB 3.09Å; R149-Q152 PolarHBondContact O-N 2.79Å; P150-Q152 VanDerWaalsContact C-N 3.32Å; P150-Q152 PolarHBondContact O-N 2.67Å; Q152-L155 PolarHBondContact O-N 3.18Å; Q152-E156 PolarHBondContact O-N 3.19Å
153H89.9Confident88Confident14 Ų1466.8 Ų66.87%0.06537%0.366CS..Hα-helixtrans-56.3-52.3174.9-174.151000111.7N146 R149 P150 L155 E156 L157 S201N146-H153 HydrophobicContact CB-CB 4.25Å; N146-H153 PolarHBondContact ND2-CE1 3.36Å; R149-H153 PolarHBondContact O-N 2.9Å; P150-H153 PolarHBondContact O-N 2.96Å; H153-L155 VanDerWaalsContact C-N 3.27Å; H153-L155 PolarHBondContact O-N 2.81Å; H153-E156 WeakPolarHBondContact O-CB 3.47Å; H153-E156 PolarHBondContact O-N 3.03Å; H153-L157 VanDerWaalsContact O-CG 3.3Å; H153-L157 WeakPolarHBondContact O-CG 3.19Å; H153-L157 PolarHBondContact O-N 3Å; H153-S201 PolarHBondContact CE1-OG 3.04Å; H153-S201 PolarHBondContact NE2-OG 2.83Å
154I90.8Very high88.3Confident8 Ų864.8 Ų64.84%0.04136%0.355CS..Hα-helixtrans-57.8-39.7178.6-64.6161.2000111.9P150 L157 Y158 I173 I175 L202 L205 V213P150-I154 WeakPolarHBondContact O-CD1 3.46Å; P150-I154 WeakPolarHBondContact O-CG1 3.41Å; P150-I154 PolarHBondContact O-N 3.45Å; I154-L157 PolarHBondContact O-N 3.48Å; I154-Y158 HydrophobicContact CG2-CD2 4.11Å; I154-Y158 HydrophobicContact CG2-CE2 4.45Å; I154-Y158 WeakPolarHBondContact O-CD2 3.35Å; I154-Y158 PolarHBondContact O-N 2.9Å; I154-I173 HydrophobicContact CB-CD1 3.85Å; I154-I173 HydrophobicContact CD1-CD1 4.07Å; I154-I173 HydrophobicContact CG2-CD1 3.68Å; I154-I173 HydrophobicContact CG2-CG2 4.32Å; I154-I175 HydrophobicContact CG2-CD1 4.25Å; I154-L202 HydrophobicContact CD1-CD1 4.34Å; I154-L202 HydrophobicContact CG1-CD1 3.79Å; I154-L205 HydrophobicContact CD1-CD2 3.93Å; I154-L205 HydrophobicContact CG1-CD2 4.05Å; I154-V213 HydrophobicContact CD1-CG1 3.89Å; I154-V213 HydrophobicContact CD1-CG2 4.15Å
155L91.1Very high88.5Confident69 Ų6960.3 Ų60.336%0.36134%0.338SS..Hα-helixtrans-69.4-32178.1-174.460.5000112.5V151 Q152 H153 G159 T166V151-L155 WeakPolarHBondContact O-CB 3.42Å; V151-L155 PolarHBondContact O-N 3.11Å; Q152-L155 PolarHBondContact O-N 3.18Å; H153-L155 VanDerWaalsContact C-N 3.27Å; H153-L155 PolarHBondContact O-N 2.81Å; L155-G159 VanDerWaalsContact O-CA 3.29Å; L155-G159 WeakPolarHBondContact O-CA 3.38Å; L155-G159 PolarHBondContact O-N 3.33Å; L155-T166 HydrophobicContact CD1-CG2 3.63Å
156E90.9Very high88.7Confident130 Ų13056.3 Ų56.361%0.60732%0.322SS*.Hα-helixtrans-71-43.7173.4-170.7173.8157.900111.7Q152 H153 Y158Q152-E156 PolarHBondContact O-N 3.19Å; H153-E156 WeakPolarHBondContact O-CB 3.47Å; H153-E156 PolarHBondContact O-N 3.03Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 2.99Å
157L89.9Confident89Confident26 Ų2658.8 Ų58.814%0.13633%0.334CS..Hα-helixtrans-58.1-40.6178.3-68.2177.3000113H153 I154 V161 T198 L202H153-L157 VanDerWaalsContact O-CG 3.3Å; H153-L157 WeakPolarHBondContact O-CG 3.19Å; H153-L157 PolarHBondContact O-N 3Å; I154-L157 PolarHBondContact O-N 3.48Å; L157-V161 WeakPolarHBondContact O-CG2 3.28Å; L157-T198 HydrophobicContact CB-CG2 3.78Å; L157-T198 HydrophobicContact CD2-CG2 3.6Å; L157-T198 HydrophobicContact CG-CG2 4.19Å; L157-L202 HydrophobicContact CD1-CB 4.1Å; L157-L202 HydrophobicContact CD1-CD1 4.48Å
158Y89.1Confident89.5Confident18 Ų1865.3 Ų65.37%0.07135%0.352CS..Hα-helixtrans-104.8-25.5-175.7-71.3-76.5000114.7I154 E156 S160 V161 I164 T166 I175 Y199 L202I154-Y158 HydrophobicContact CG2-CD2 4.11Å; I154-Y158 HydrophobicContact CG2-CE2 4.45Å; I154-Y158 WeakPolarHBondContact O-CD2 3.35Å; I154-Y158 PolarHBondContact O-N 2.9Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 2.99Å; Y158-S160 PolarHBondContact O-N 3.27Å; Y158-S160 VanDerWaalsContact O-N 3.12Å; Y158-V161 PolarHBondContact O-N 2.98Å; Y158-V161 VanDerWaalsContact O-N 3.11Å; Y158-I164 HydrophobicContact CD1-CD1 4.08Å; Y158-I164 HydrophobicContact CD1-CG2 4.12Å; Y158-I164 HydrophobicContact CE1-CD1 4.39Å; Y158-T166 WeakPolarHBondContact CB-OG1 3.41Å; Y158-I175 HydrophobicContact CD1-CG2 3.79Å; Y158-I175 HydrophobicContact CD2-CD1 3.58Å; Y158-I175 HydrophobicContact CD2-CG1 4.18Å; Y158-I175 HydrophobicContact CE1-CG2 3.97Å; Y158-I175 HydrophobicContact CE2-CD1 3.46Å; Y158-I175 VanDerWaalsContact CE2-CD1 3.46Å; Y158-I175 HydrophobicContact CE2-CG1 4.46Å; Y158-I175 HydrophobicContact CG-CD1 4.17Å; Y158-I175 HydrophobicContact CG-CG1 4.35Å; Y158-I175 HydrophobicContact CG-CG2 4.1Å; Y158-Y199 WeakPolarHBondContact OH-CE2 3.4Å; Y158-L202 HydrophobicContact CE2-CD2 3.79Å; Y158-L202 WeakPolarHBondContact OH-CD2 3.45Å
159G87.1Confident89.6Confident54 Ų5463.8 Ų63.856%0.55734%0.34SS*.Hα-helixtrans-66.7-12.8-178.100000114.9L155L155-G159 VanDerWaalsContact O-CA 3.29Å; L155-G159 WeakPolarHBondContact O-CA 3.38Å; L155-G159 PolarHBondContact O-N 3.33Å
160S85.4Confident89.5Confident100 Ų10065 Ų6570%0.69935%0.352SS*.THydrogen-bonded Turntrans-100.9-0.8176.2-54.30000113.9Y158 P162Y158-S160 PolarHBondContact O-N 3.27Å; Y158-S160 VanDerWaalsContact O-N 3.12Å; S160-P162 WeakPolarHBondContact O-CD 3.29Å
161V87.9Confident89.5Confident45 Ų4571.3 Ų71.327%0.27338%0.384SS..SBendtrans-95.1114.2-174.6-173.20000110.1L157 Y158 I164L157-V161 WeakPolarHBondContact O-CG2 3.28Å; Y158-V161 PolarHBondContact O-N 2.98Å; Y158-V161 VanDerWaalsContact O-N 3.11Å; V161-I164 HydrophobicContact CB-CB 4.24Å; V161-I164 HydrophobicContact CB-CD1 4.06Å; V161-I164 HydrophobicContact CB-CG1 4.26Å; V161-I164 HydrophobicContact CG1-CB 4.38Å; V161-I164 HydrophobicContact CG1-CD1 3.61Å; V161-I164 HydrophobicContact CG1-CG1 3.87Å; V161-I164 PolarHBondContact O-N 3.12Å
162P87.5Confident89.6Confident80 Ų8073.8 Ų73.852%0.51939%0.394SS..THydrogen-bonded Turntrans-63.9146.4177.2-18.732.3000111.3S160 I164 Y181 F182S160-P162 WeakPolarHBondContact O-CD 3.29Å; P162-I164 PolarHBondContact O-N 3.02Å; P162-Y181 HydrophobicContact CB-CE1 4.38Å; P162-Y181 HydrophobicContact CB-CE2 4.15Å; P162-Y181 WeakPolarHBondContact O-CE1 3.31Å; P162-F182 WeakPolarHBondContact O-CZ 3.27Å
163G86.4Confident89.7Confident12 Ų1270.8 Ų70.812%0.12438%0.381CS..THydrogen-bonded Turntrans73.23.8-173.100000114.5S177 D178 F182G163-S177 CarbonylContact O-C 3.21Å; G163-S177 WeakPolarHBondContact O-CA 3.48Å; G163-D178 PolarHBondContact O-N 3.19Å; G163-F182 WeakPolarHBondContact O-CE2 3.44Å
164I91.2Very high89.8Confident23 Ų2374.5 Ų74.512%0.11840%0.4CS..EExtended strand (participates in β ladder)trans-117.6122171.3-57-172.9000109.9Y158 V161 P162 I175 F182 W191Y158-I164 HydrophobicContact CD1-CD1 4.08Å; Y158-I164 HydrophobicContact CD1-CG2 4.12Å; Y158-I164 HydrophobicContact CE1-CD1 4.39Å; V161-I164 HydrophobicContact CB-CB 4.24Å; V161-I164 HydrophobicContact CB-CD1 4.06Å; V161-I164 HydrophobicContact CB-CG1 4.26Å; V161-I164 HydrophobicContact CG1-CB 4.38Å; V161-I164 HydrophobicContact CG1-CD1 3.61Å; V161-I164 HydrophobicContact CG1-CG1 3.87Å; V161-I164 PolarHBondContact O-N 3.12Å; P162-I164 PolarHBondContact O-N 3.02Å; I164-I175 HydrophobicContact CG2-CG2 3.53Å; I164-F182 HydrophobicContact CG1-CE2 3.95Å; I164-F182 HydrophobicContact CG1-CZ 4.31Å; I164-W191 HydrophobicContact CD1-CZ2 4.26Å
165R90.6Very high89.9Confident106 Ų10677.5 Ų77.540%0.442%0.415SS..EExtended strand (participates in β ladder)trans-100.8121175.5-75.1168.741.8-111.6-19.6109.3E176 D178R165-E176 HydrophobicContact CB-CB 4.45Å; R165-E176 IonicContact CZ-OE1 2.69Å; R165-E176 IonicContact CZ-OE2 3.35Å; R165-E176 PolarHBondContact N-O 2.89Å; R165-E176 IonicContact NH1-OE1 2.7Å; R165-E176 PolarHBondContact NH1-OE1 3.07Å; R165-E176 IonicContact NH1-OE2 3.08Å; R165-E176 PolarHBondContact NH1-OE2 2.96Å; R165-E176 VanDerWaalsContact NH2-CD 3.26Å; R165-E176 IonicContact NH2-OE1 2.73Å; R165-E176 PolarHBondContact NH2-OE1 2.94Å; R165-E176 IonicContact NH2-OE2 2.71Å; R165-E176 PolarHBondContact NH2-OE2 2.87Å; R165-E176 PolarHBondContact O-N 3.17Å; R165-D178 WeakPolarHBondContact CD-OD1 3.29Å; R165-D178 IonicContact NH1-OD1 3.16Å; R165-D178 PolarHBondContact NH1-OD1 3.23Å
166T92.4Very high89.8Confident35 Ų3578 Ų7822%0.21542%0.416CS..EExtended strand (participates in β ladder)trans-105.7116.3178.3-55.30000110.2L155 Y158 I173 I174 I175L155-T166 HydrophobicContact CD1-CG2 3.63Å; Y158-T166 WeakPolarHBondContact CB-OG1 3.41Å; T166-I173 HydrophobicContact CG2-CG2 3.54Å; T166-I174 CarbonylContact C-O 3.22Å; T166-I174 WeakPolarHBondContact CA-O 3.36Å; T166-I175 HydrophobicContact CG2-CG1 4.5Å
167I90.9Very high89.7Confident79 Ų7975 Ų7541%0.40541%0.409SS..EExtended strand (participates in β ladder)trans-106.7124.3178.9-48.2174.8000108.5I173 I174I167-I173 WeakPolarHBondContact O-CA 3.3Å; I167-I174 HydrophobicContact CB-CB 4.25Å; I167-I174 PolarHBondContact N-O 3.21Å; I167-I174 PolarHBondContact O-N 2.82Å
168R92.9Very high89.6Confident165 Ų16576.2 Ų76.262%0.62342%0.416SS*.EExtended strand (participates in β ladder)trans-109.4128.2-177.7179.1179.2171.5-133.4-6.9111.8
169A89.6Confident89.1Confident46 Ų4679.9 Ų79.938%0.3844%0.442SS..  trans-110.8-171.1164.800000110.6I172A169-I172 HydrophobicContact CB-CB 4.38Å; A169-I172 PolarHBondContact N-O 3.17Å
170E88Confident88.7Confident164 Ų16484.9 Ų84.977%0.76646%0.456SS*.SBendtrans-63.3-42.7-177.5-65.475.2-168.400112.8
171N89.2Confident88.5Confident160 Ų16086.3 Ų86.386%0.85645%0.447SS*.SBendtrans-131.17.6-175.1-60.5-72.4000113.5
172I91Very high87.8Confident111 Ų11187 Ų8757%0.56945%0.447SS*.  trans-134.7139.1-176.5-57.2177.7000108.6A169 I174A169-I172 HydrophobicContact CB-CB 4.38Å; A169-I172 PolarHBondContact N-O 3.17Å; I172-I174 HydrophobicContact CG2-CG1 4.11Å
173I92.4Very high86.6Confident42 Ų4288.5 Ų88.522%0.21546%0.456CS..EExtended strand (participates in β ladder)trans-119.3125.7166.8-52.3173.4000106.3V151 I154 T166 I167 I175V151-I173 HydrophobicContact CB-CD1 4.41Å; V151-I173 HydrophobicContact CG1-CD1 4.1Å; V151-I173 HydrophobicContact CG2-CD1 4.42Å; I154-I173 HydrophobicContact CB-CD1 3.85Å; I154-I173 HydrophobicContact CD1-CD1 4.07Å; I154-I173 HydrophobicContact CG2-CD1 3.68Å; I154-I173 HydrophobicContact CG2-CG2 4.32Å; T166-I173 HydrophobicContact CG2-CG2 3.54Å; I167-I173 WeakPolarHBondContact O-CA 3.3Å; I173-I175 HydrophobicContact CG2-CG1 4.22Å
174I92Very high85Confident91 Ų9196.1 Ų96.147%0.46749%0.489SS..EExtended strand (participates in β ladder)trans-102.2128.1172.5-53.6174.6000106.8T166 I167 I172T166-I174 CarbonylContact C-O 3.22Å; T166-I174 WeakPolarHBondContact CA-O 3.36Å; I167-I174 HydrophobicContact CB-CB 4.25Å; I167-I174 PolarHBondContact N-O 3.21Å; I167-I174 PolarHBondContact O-N 2.82Å; I172-I174 HydrophobicContact CG2-CG1 4.11Å
175I91.9Very high82.8Confident71 Ų7199.6 Ų99.636%0.36452%0.521SS..EExtended strand (participates in β ladder)trans-114.6111.4177-61158.1000105.8I154 Y158 I164 T166 I173I154-I175 HydrophobicContact CG2-CD1 4.25Å; Y158-I175 HydrophobicContact CD1-CG2 3.79Å; Y158-I175 HydrophobicContact CD2-CD1 3.58Å; Y158-I175 HydrophobicContact CD2-CG1 4.18Å; Y158-I175 HydrophobicContact CE1-CG2 3.97Å; Y158-I175 HydrophobicContact CE2-CD1 3.46Å; Y158-I175 VanDerWaalsContact CE2-CD1 3.46Å; Y158-I175 HydrophobicContact CE2-CG1 4.46Å; Y158-I175 HydrophobicContact CG-CD1 4.17Å; Y158-I175 HydrophobicContact CG-CG1 4.35Å; Y158-I175 HydrophobicContact CG-CG2 4.1Å; I164-I175 HydrophobicContact CG2-CG2 3.53Å; T166-I175 HydrophobicContact CG2-CG1 4.5Å; I173-I175 HydrophobicContact CG2-CG1 4.22Å
176E90.3Very high80.4Confident79 Ų7997.3 Ų97.337%0.36953%0.53SS..EExtended strand (participates in β ladder)trans-117.7115.7-171.4-169.5-175.7156.300108.3R165R165-E176 HydrophobicContact CB-CB 4.45Å; R165-E176 IonicContact CZ-OE1 2.69Å; R165-E176 IonicContact CZ-OE2 3.35Å; R165-E176 PolarHBondContact N-O 2.89Å; R165-E176 IonicContact NH1-OE1 2.7Å; R165-E176 PolarHBondContact NH1-OE1 3.07Å; R165-E176 IonicContact NH1-OE2 3.08Å; R165-E176 PolarHBondContact NH1-OE2 2.96Å; R165-E176 VanDerWaalsContact NH2-CD 3.26Å; R165-E176 IonicContact NH2-OE1 2.73Å; R165-E176 PolarHBondContact NH2-OE1 2.94Å; R165-E176 IonicContact NH2-OE2 2.71Å; R165-E176 PolarHBondContact NH2-OE2 2.87Å; R165-E176 PolarHBondContact O-N 3.17Å
177S88.9Confident77.7Confident67 Ų67103.7 Ų103.747%0.46956%0.557SS.*EExtended strand (participates in β ladder)trans-92.5124.1177.754.10000110.5G163 P179G163-S177 CarbonylContact O-C 3.21Å; G163-S177 WeakPolarHBondContact O-CA 3.48Å; S177-P179 WeakPolarHBondContact O-CD 3.48Å
178D87.4Confident75.7Confident52 Ų52104.4 Ų104.428%0.27857%0.57SS.*  trans-68.1117.6177.9-62.4-42.7000109.5G163 R165 D180 Y181 F182G163-D178 PolarHBondContact O-N 3.19Å; R165-D178 WeakPolarHBondContact CD-OD1 3.29Å; R165-D178 IonicContact NH1-OD1 3.16Å; R165-D178 PolarHBondContact NH1-OD1 3.23Å; D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 2.92Å; D178-Y181 PolarHBondContact O-N 2.99Å; D178-Y181 VanDerWaalsContact O-N 3.17Å; D178-F182 PolarHBondContact O-N 3.36Å
179P78.5Confident73.3Confident96 Ų96106 Ų10662%0.62358%0.581SS**THydrogen-bonded Turntrans-67.1-32.6-170.826-34.6000112.9S177 Y181 F182S177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-Y181 PolarHBondContact O-N 3.14Å; P179-F182 CarbonylContact O-C 3.53Å; P179-F182 PolarHBondContact O-N 2.81Å
180D78.5Confident71.1Confident158 Ų158107.3 Ų107.385%0.84559%0.587SS**THydrogen-bonded Turntrans-67.7-23177.9-59.8-48000113D178D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 2.92Å
181Y81Confident69.1Low130 Ų130107 Ų10751%0.5158%0.579SS.*THydrogen-bonded Turntrans-83.3-24.9176-169-82.2000111.8P162 D178 P179 P183P162-Y181 HydrophobicContact CB-CE1 4.38Å; P162-Y181 HydrophobicContact CB-CE2 4.15Å; P162-Y181 WeakPolarHBondContact O-CE1 3.31Å; D178-Y181 PolarHBondContact O-N 2.99Å; D178-Y181 VanDerWaalsContact O-N 3.17Å; P179-Y181 PolarHBondContact O-N 3.14Å; Y181-P183 VanDerWaalsContact C-CD 3.48Å; Y181-P183 WeakPolarHBondContact O-CD 3.32Å
182F74.3Confident67.2Low61 Ų61106.4 Ų106.427%0.26857%0.571SS.*SBendtrans-120.370.6178.6-59.9-62.6000110.9P162 G163 I164 D178 P179 E184 W191P162-F182 WeakPolarHBondContact O-CZ 3.27Å; G163-F182 WeakPolarHBondContact O-CE2 3.44Å; I164-F182 HydrophobicContact CG1-CE2 3.95Å; I164-F182 HydrophobicContact CG1-CZ 4.31Å; D178-F182 PolarHBondContact O-N 3.36Å; P179-F182 CarbonylContact O-C 3.53Å; P179-F182 PolarHBondContact O-N 2.81Å; F182-E184 PolarHBondContact O-N 3.01Å; F182-E184 VanDerWaalsContact O-N 3.17Å; F182-W191 AromaticContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CZ2 4.04Å; F182-W191 HydrophobicContact CD2-CZ2 4.22Å; F182-W191 AromaticContact CE1-CH2 3.26Å; F182-W191 HydrophobicContact CE1-CH2 3.26Å; F182-W191 AromaticContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ3 4.28Å; F182-W191 HydrophobicContact CE2-CH2 4.1Å; F182-W191 AromaticContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CG-CZ2 4.27Å; F182-W191 AromaticContact CZ-CH2 3.38Å; F182-W191 HydrophobicContact CZ-CH2 3.38Å; F182-W191 AromaticContact CZ-CZ2 3.69Å; F182-W191 HydrophobicContact CZ-CZ2 3.69Å
183P61.6Low64.9Low110 Ų110109.2 Ų109.271%0.71458%0.582SS**  trans-55.2122-174.821.7-33.7000111.5Y181 A185Y181-P183 VanDerWaalsContact C-CD 3.48Å; Y181-P183 WeakPolarHBondContact O-CD 3.32Å; P183-A185 PolarHBondContact O-N 2.98Å
184E52.3Low62.1Low173 Ų173115.1 Ų115.181%0.80861%0.614SS**  trans-72.994.6-163.6-169.1176.6-160.500112.7F182 G186F182-E184 PolarHBondContact O-N 3.01Å; F182-E184 VanDerWaalsContact O-N 3.17Å; E184-G186 PolarHBondContact O-N 3.12Å
185A44.3Very low60Low96 Ų96113.8 Ų113.879%0.79362%0.623SS**  trans-69.9111.515500000107.9P183P183-A185 PolarHBondContact O-N 2.98Å
186G40.1Very low57.8Low58 Ų58116.1 Ų116.160%0.59864%0.64SS**SBendtrans-55.3154.8-157.800000117.9E184E184-G186 PolarHBondContact O-N 3.12Å
187E36.9Very low56.3Low168 Ų168117.9 Ų117.979%0.78565%0.653SS**SBendtrans62.886.2169.7-62.2-166157.700117.4K189E187-K189 PolarHBondContact O-N 2.78Å
188S49.1Very low55Low95 Ų95116.7 Ų116.766%0.66464%0.642SS**  trans55.819.7139-56.10000118.2S190 K219S188-S190 PolarHBondContact O-N 2.73Å; S188-K219 PolarHBondContact OG-NZ 3.3Å
189K42.3Very low54Low197 Ų197117.2 Ų117.286%0.85764%0.641SS**  trans-73.6126.4166.8-78.3172-177.4164.20108.8E187E187-K189 PolarHBondContact O-N 2.78Å
190S43.6Very low53.8Low74 Ų74116.4 Ų116.452%0.51764%0.637SS.*  trans-58.7162.2-179.848.30000111.4S188 Q192S188-S190 PolarHBondContact O-N 2.73Å; S190-Q192 PolarHBondContact O-N 3.13Å; S190-Q192 PolarHBondContact OG-OE1 3.18Å; S190-Q192 VanDerWaalsContact OG-OE1 3.1Å
191W44.7Very low54.1Low158 Ų158110.2 Ų110.260%0.59861%0.607SS**SBendtrans-61.324.9167.2-82.392.2000114.5I164 F182I164-W191 HydrophobicContact CD1-CZ2 4.26Å; F182-W191 AromaticContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CZ2 4.04Å; F182-W191 HydrophobicContact CD2-CZ2 4.22Å; F182-W191 AromaticContact CE1-CH2 3.26Å; F182-W191 HydrophobicContact CE1-CH2 3.26Å; F182-W191 AromaticContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ3 4.28Å; F182-W191 HydrophobicContact CE2-CH2 4.1Å; F182-W191 AromaticContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CG-CZ2 4.27Å; F182-W191 AromaticContact CZ-CH2 3.38Å; F182-W191 HydrophobicContact CZ-CH2 3.38Å; F182-W191 AromaticContact CZ-CZ2 3.69Å; F182-W191 HydrophobicContact CZ-CZ2 3.69Å
192Q50.6Low54.4Low147 Ų147104.5 Ų104.569%0.68759%0.585SS**  trans-10459.7-176.2-66.8-178.8-44.100112.1S190S190-Q192 PolarHBondContact O-N 3.13Å; S190-Q192 PolarHBondContact OG-OE1 3.18Å; S190-Q192 VanDerWaalsContact OG-OE1 3.1Å
193Q41.6Very low55.1Low171 Ų171103.9 Ų103.980%0.79958%0.584SS**SBendtrans-153133.5148.1-115.8164.126.600110.7
194N35Very low56.3Low165 Ų165102.4 Ų102.488%0.88257%0.57SS**SBendtrans73.844.5173.5-46.5-52.5000118.1
195G47.7Very low58Low64 Ų6494.5 Ų94.566%0.6653%0.534SS*.  trans139.3160.5136.700000119.1
196V44.5Very low60.1Low119 Ų11991.7 Ų91.772%0.72151%0.505SS*.  trans68.5131169-151.60000116.8T198V196-T198 WeakPolarHBondContact CG1-OG1 3.22Å; V196-T198 PolarHBondContact O-N 3.26Å
197D59.6Low62.3Low117 Ų11795.4 Ų95.463%0.62651%0.511SS*.THydrogen-bonded Turntrans-66.62179.4-53.5-78000114.9Y199 S200 S201D197-Y199 VanDerWaalsContact C-N 3.34Å; D197-Y199 PolarHBondContact O-N 3.46Å; D197-S200 WeakPolarHBondContact O-CB 3.4Å; D197-S200 PolarHBondContact O-N 3.32Å; D197-S200 VanDerWaalsContact O-N 3.07Å; D197-S201 PolarHBondContact O-N 3.27Å
198T62.2Low64.6Low42 Ų4292.2 Ų92.226%0.25849%0.492SS..Hα-helixtrans-46.6-52.5-176.3-51.20000112.4L157 V196 L202L157-T198 HydrophobicContact CB-CG2 3.78Å; L157-T198 HydrophobicContact CD2-CG2 3.6Å; L157-T198 HydrophobicContact CG-CG2 4.19Å; V196-T198 WeakPolarHBondContact CG1-OG1 3.22Å; V196-T198 PolarHBondContact O-N 3.26Å; T198-L202 PolarHBondContact O-N 3.43Å
199Y66.5Low66Low63 Ų6399.6 Ų99.625%0.24751%0.505CS..Hα-helixtrans-76.9-28.7-176.8-137.5-75.5000112.5Y158 D197 S201 L202 N203 R217Y158-Y199 WeakPolarHBondContact OH-CE2 3.4Å; D197-Y199 VanDerWaalsContact C-N 3.34Å; D197-Y199 PolarHBondContact O-N 3.46Å; Y199-S201 VanDerWaalsContact C-N 3.35Å; Y199-L202 HydrophobicContact CD1-CD2 4.44Å; Y199-L202 HydrophobicContact CE1-CD2 4.18Å; Y199-L202 HydrophobicContact CE2-CD2 4.45Å; Y199-L202 WeakPolarHBondContact O-CB 3.5Å; Y199-L202 PolarHBondContact O-N 2.81Å; Y199-N203 WeakPolarHBondContact CD1-OD1 3.48Å; Y199-N203 WeakPolarHBondContact O-CB 3.37Å; Y199-N203 VanDerWaalsContact O-CG 3.22Å; Y199-N203 PolarHBondContact O-N 2.89Å; Y199-N203 PolarHBondContact O-OD1 3.37Å; Y199-R217 PolarHBondContact OH-NH1 2.95Å; Y199-R217 PolarHBondContact OH-NH2 2.81Å
200S74.1Confident67.7Low78 Ų7894.1 Ų94.155%0.54551%0.505SS..Hα-helixtrans-65.1-39.4174.7-54.20000111.6D197 N203 D204D197-S200 WeakPolarHBondContact O-CB 3.4Å; D197-S200 PolarHBondContact O-N 3.32Å; D197-S200 VanDerWaalsContact O-N 3.07Å; S200-N203 PolarHBondContact O-N 3.04Å; S200-D204 PolarHBondContact O-N 3.13Å
201S84.3Confident69.5Low29 Ų2992.3 Ų92.320%0.20349%0.492CS..Hα-helixtrans-71.6-31.9176.6-163.80000112.7H153 D197 Y199 L205H153-S201 PolarHBondContact CE1-OG 3.04Å; H153-S201 PolarHBondContact NE2-OG 2.83Å; D197-S201 PolarHBondContact O-N 3.27Å; Y199-S201 VanDerWaalsContact C-N 3.35Å; S201-L205 PolarHBondContact O-N 2.98Å
202L87.5Confident71.4Confident9 Ų989.7 Ų89.75%0.04750%0.504CS..Hα-helixtrans-65.3-42.3169-176.567.3000111.7I154 L157 Y158 T198 Y199 L205 L206I154-L202 HydrophobicContact CD1-CD1 4.34Å; I154-L202 HydrophobicContact CG1-CD1 3.79Å; L157-L202 HydrophobicContact CD1-CB 4.1Å; L157-L202 HydrophobicContact CD1-CD1 4.48Å; Y158-L202 HydrophobicContact CE2-CD2 3.79Å; Y158-L202 WeakPolarHBondContact OH-CD2 3.45Å; T198-L202 PolarHBondContact O-N 3.43Å; Y199-L202 HydrophobicContact CD1-CD2 4.44Å; Y199-L202 HydrophobicContact CE1-CD2 4.18Å; Y199-L202 HydrophobicContact CE2-CD2 4.45Å; Y199-L202 WeakPolarHBondContact O-CB 3.5Å; Y199-L202 PolarHBondContact O-N 2.81Å; L202-L205 WeakPolarHBondContact O-CB 3.2Å; L202-L205 PolarHBondContact O-N 3.08Å; L202-L206 HydrophobicContact CG-CD1 4.12Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.4Å; L202-L206 VanDerWaalsContact O-N 3.08Å
203N87.9Confident73.3Confident49 Ų4984 Ų8426%0.26248%0.479SS..Hα-helixtrans-66.3-43.1179.6-70.3-5.7000112.1Y199 S200 L205 L206 D207Y199-N203 WeakPolarHBondContact CD1-OD1 3.48Å; Y199-N203 WeakPolarHBondContact O-CB 3.37Å; Y199-N203 VanDerWaalsContact O-CG 3.22Å; Y199-N203 PolarHBondContact O-N 2.89Å; Y199-N203 PolarHBondContact O-OD1 3.37Å; S200-N203 PolarHBondContact O-N 3.04Å; N203-L205 PolarHBondContact O-N 3.33Å; N203-L206 PolarHBondContact O-N 3.26Å; N203-D207 WeakPolarHBondContact O-CB 3.3Å; N203-D207 PolarHBondContact O-N 3.24Å
204D87.3Confident75.5Confident78 Ų7881.5 Ų81.542%0.41748%0.476SS..Hα-helixtrans-55.2-41172.1-18069.8000111.4S200 L206 R208S200-D204 PolarHBondContact O-N 3.13Å; D204-L206 VanDerWaalsContact C-N 3.3Å; D204-L206 PolarHBondContact O-N 2.64Å; D204-R208 WeakPolarHBondContact O-CB 3.4Å; D204-R208 VanDerWaalsContact O-CD 3.24Å; D204-R208 WeakPolarHBondContact O-CD 3.35Å; D204-R208 WeakPolarHBondContact O-CG 3.47Å; D204-R208 PolarHBondContact O-N 3.36Å; D204-R208 VanDerWaalsContact O-N 3.13Å; D204-R208 IonicContact OD1-NE 3.5Å; D204-R208 IonicContact OD2-CZ 3.48Å; D204-R208 VanDerWaalsContact OD2-CZ 3.3Å; D204-R208 IonicContact OD2-NE 3.16Å; D204-R208 PolarHBondContact OD2-NE 2.97Å; D204-R208 IonicContact OD2-NH2 3.39Å; D204-R208 PolarHBondContact OD2-NH2 2.81Å
205L87.8Confident78.2Confident7 Ų777.7 Ų77.74%0.03745%0.453CS..Hα-helixtrans-65.3-29.9176.9176.459.7000113.4P150 I154 S201 L202 N203 S211 V213P150-L205 HydrophobicContact CB-CD1 3.67Å; P150-L205 HydrophobicContact CB-CD2 3.54Å; P150-L205 HydrophobicContact CB-CG 4.21Å; I154-L205 HydrophobicContact CD1-CD2 3.93Å; I154-L205 HydrophobicContact CG1-CD2 4.05Å; S201-L205 PolarHBondContact O-N 2.98Å; L202-L205 WeakPolarHBondContact O-CB 3.2Å; L202-L205 PolarHBondContact O-N 3.08Å; N203-L205 PolarHBondContact O-N 3.33Å; L205-S211 WeakPolarHBondContact O-CB 3.37Å; L205-S211 PolarHBondContact O-OG 3.15Å; L205-V213 HydrophobicContact CD2-CG2 4.32Å; L205-V213 HydrophobicContact CG-CB 4.49Å; L205-V213 HydrophobicContact CG-CG2 4.44Å
206L88.7Confident80.1Confident38 Ų3881.9 Ų81.920%0.19946%0.458CS..Hα-helixtrans-84.9-44177.9-68.6168.4000112.5L202 N203 D204 R208 V213 E215L202-L206 HydrophobicContact CG-CD1 4.12Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.4Å; L202-L206 VanDerWaalsContact O-N 3.08Å; N203-L206 PolarHBondContact O-N 3.26Å; D204-L206 VanDerWaalsContact C-N 3.3Å; D204-L206 PolarHBondContact O-N 2.64Å; L206-R208 VanDerWaalsContact C-N 3.26Å; L206-R208 PolarHBondContact O-N 2.73Å; L206-V213 HydrophobicContact CD2-CG1 3.89Å; L206-E215 HydrophobicContact CD1-CB 3.93Å; L206-E215 HydrophobicContact CD2-CB 3.94Å
207D87.1Confident82.1Confident135 Ų13583.9 Ų83.972%0.72245%0.453SS*.Hα-helixtrans-72.5-18.8-177.3-69.5-33.8000112.9N203 R209N203-D207 WeakPolarHBondContact O-CB 3.3Å; N203-D207 PolarHBondContact O-N 3.24Å; D207-R209 PolarHBondContact O-N 3.18Å
208R85.7Confident82.9Confident101 Ų10181.8 Ų81.838%0.38145%0.452SS..SBendtrans-54.6108172.6-91.3164.3-176-110.52.8111.9D204 L206 G210 S211D204-R208 WeakPolarHBondContact O-CB 3.4Å; D204-R208 VanDerWaalsContact O-CD 3.24Å; D204-R208 WeakPolarHBondContact O-CD 3.35Å; D204-R208 WeakPolarHBondContact O-CG 3.47Å; D204-R208 PolarHBondContact O-N 3.36Å; D204-R208 VanDerWaalsContact O-N 3.13Å; D204-R208 IonicContact OD1-NE 3.5Å; D204-R208 IonicContact OD2-CZ 3.48Å; D204-R208 VanDerWaalsContact OD2-CZ 3.3Å; D204-R208 IonicContact OD2-NE 3.16Å; D204-R208 PolarHBondContact OD2-NE 2.97Å; D204-R208 IonicContact OD2-NH2 3.39Å; D204-R208 PolarHBondContact OD2-NH2 2.81Å; L206-R208 VanDerWaalsContact C-N 3.26Å; L206-R208 PolarHBondContact O-N 2.73Å; R208-G210 PolarHBondContact O-N 3.42Å; R208-S211 VanDerWaalsContact O-CB 3.3Å; R208-S211 WeakPolarHBondContact O-CB 3.21Å; R208-S211 PolarHBondContact O-N 2.98Å
209R77.3Confident83.4Confident251 Ų25188.6 Ų88.695%0.94748%0.478SS*.THydrogen-bonded Turntrans-57.3102.9176.2-173.1177.6-174.3-86.40111.8D207D207-R209 PolarHBondContact O-N 3.18Å
210G77.4Confident83.3Confident82 Ų8293.3 Ų93.385%0.84550%0.502SS*.THydrogen-bonded Turntrans100.916-174.800000114.6R208R208-G210 PolarHBondContact O-N 3.42Å
211S83.1Confident82.9Confident36 Ų3694.6 Ų94.625%0.25251%0.506SS..  trans-56.2147.7168.6-169.90000111.8L205 R208 V213L205-S211 WeakPolarHBondContact O-CB 3.37Å; L205-S211 PolarHBondContact O-OG 3.15Å; R208-S211 VanDerWaalsContact O-CB 3.3Å; R208-S211 WeakPolarHBondContact O-CB 3.21Å; R208-S211 PolarHBondContact O-N 2.98Å; S211-V213 VanDerWaalsContact C-N 3.28Å; S211-V213 PolarHBondContact OG-N 2.58Å
212A83.8Confident82.2Confident102 Ų10297.6 Ų97.684%0.84352%0.524SS*.SBendtrans-86.31172.900000112.8
213V89.7Confident81.5Confident29 Ų29103.6 Ų103.618%0.17655%0.554CS.*  trans-114.1137.9179-1790000110.2P150 I154 L205 L206 S211P150-V213 HydrophobicContact CB-CG2 3.74Å; P150-V213 HydrophobicContact CG-CG2 4.2Å; I154-V213 HydrophobicContact CD1-CG1 3.89Å; I154-V213 HydrophobicContact CD1-CG2 4.15Å; L205-V213 HydrophobicContact CD2-CG2 4.32Å; L205-V213 HydrophobicContact CG-CB 4.49Å; L205-V213 HydrophobicContact CG-CG2 4.44Å; L206-V213 HydrophobicContact CD2-CG1 3.89Å; S211-V213 VanDerWaalsContact C-N 3.28Å; S211-V213 PolarHBondContact OG-N 2.58Å
214T89.3Confident80.5Confident118 Ų118110.5 Ų110.572%0.72458%0.578SS**  trans-132130.2171.454.90000109.4
215E90.4Very high78.9Confident84 Ų84113 Ų11339%0.39359%0.591SS.*  trans-79.2142.4173.1-168.6-173.9-158.600111.1L206 R217L206-E215 HydrophobicContact CD1-CB 3.93Å; L206-E215 HydrophobicContact CD2-CB 3.94Å; E215-R217 HydrophobicContact CG-CG 4.06Å; E215-R217 IonicContact OE1-CZ 2.73Å; E215-R217 IonicContact OE1-NE 2.73Å; E215-R217 PolarHBondContact OE1-NE 3.02Å; E215-R217 VanDerWaalsContact OE1-NE 3.11Å; E215-R217 IonicContact OE1-NH2 2.97Å; E215-R217 PolarHBondContact OE1-NH2 3.07Å; E215-R217 IonicContact OE2-CZ 2.78Å; E215-R217 IonicContact OE2-NE 3.3Å; E215-R217 PolarHBondContact OE2-NE 2.94Å; E215-R217 IonicContact OE2-NH2 3.82Å; E215-R217 PolarHBondContact OE2-NH2 2.93Å
216I87.4Confident77.2Confident152 Ų152118.5 Ų118.578%0.77963%0.626SS**  trans-128.1108.5170-57.3177.6000107.8
217R87.9Confident75.4Confident162 Ų162122.3 Ų122.361%0.61165%0.651SS**  trans-91.2102.5179.2-62-177.8-173.4-117.2-14.2110.3Y199 E215Y199-R217 PolarHBondContact OH-NH1 2.95Å; Y199-R217 PolarHBondContact OH-NH2 2.81Å; E215-R217 HydrophobicContact CG-CG 4.06Å; E215-R217 IonicContact OE1-CZ 2.73Å; E215-R217 IonicContact OE1-NE 2.73Å; E215-R217 PolarHBondContact OE1-NE 3.02Å; E215-R217 VanDerWaalsContact OE1-NE 3.11Å; E215-R217 IonicContact OE1-NH2 2.97Å; E215-R217 PolarHBondContact OE1-NH2 3.07Å; E215-R217 IonicContact OE2-CZ 2.78Å; E215-R217 IonicContact OE2-NE 3.3Å; E215-R217 PolarHBondContact OE2-NE 2.94Å; E215-R217 IonicContact OE2-NH2 3.82Å; E215-R217 PolarHBondContact OE2-NH2 2.93Å
218A75.8Confident73.4Confident73 Ų73122.5 Ų122.560%0.60365%0.651SS**  trans-88.4128.5169.200000110V221A218-V221 HydrophobicContact CB-CG2 4.32Å
219K72.3Confident71.6Confident185 Ų185123 Ų12380%0.80467%0.669SS**SBendtrans-98.1-20.5169.5-74.6-169.5167.1-166.40113.1S188S188-K219 PolarHBondContact OG-NZ 3.3Å
220E64.9Low70.2Confident161 Ų161122.6 Ų122.675%0.75267%0.668SS**SBendtrans-143.6137.4-178.5-174.4-176.7174.800107.6V222E220-V222 HydrophobicContact CG-CG2 4.2Å
221V66.2Low68.7Low105 Ų105123.1 Ų123.164%0.63666%0.659SS**  trans-117.796.7-175.2-174.20000111A218 I223A218-V221 HydrophobicContact CB-CG2 4.32Å; V221-I223 VanDerWaalsContact C-N 3.26Å; V221-I223 HydrophobicContact CG1-CG1 3.89Å; V221-I223 PolarHBondContact O-N 3.19Å
222V68.8Low67.2Low93 Ų93130.6 Ų130.656%0.56469%0.69SS**  trans-48.359.6165.7-112.50000116.5E220 Y224E220-V222 HydrophobicContact CG-CG2 4.2Å; V222-Y224 HydrophobicContact CB-CE2 4.35Å; V222-Y224 WeakPolarHBondContact O-CD2 3.35Å; V222-Y224 PolarHBondContact O-N 3.24Å
223I72.3Confident65.8Low135 Ų135133.5 Ų133.569%0.69269%0.686SS**  trans-71.697.6176.7-53-177.2000110.6V221V221-I223 VanDerWaalsContact C-N 3.26Å; V221-I223 HydrophobicContact CG1-CG1 3.89Å; V221-I223 PolarHBondContact O-N 3.19Å
224Y66.7Low63.8Low193 Ų193138.8 Ų138.876%0.75771%0.713SS**  trans-82.1116.7167.2-66.5-85.4000110.4V222 T226V222-Y224 HydrophobicContact CB-CE2 4.35Å; V222-Y224 WeakPolarHBondContact O-CD2 3.35Å; V222-Y224 PolarHBondContact O-N 3.24Å; Y224-T226 PolarHBondContact O-N 2.75Å; Y224-T226 VanDerWaalsContact O-N 3.12Å
225D54.7Low61.7Low130 Ų130141.1 Ų141.170%0.69572%0.72SS**  trans-60.1114.1172.2-111.7-16.7000110.4T227D225-T227 PolarHBondContact O-N 3.44Å
226T52.5Low59.1Low124 Ų124142.7 Ų142.776%0.76174%0.741SS**G310 helixtrans-75.621.7-176.351.60000113.9Y224 L228 S229Y224-T226 PolarHBondContact O-N 2.75Å; Y224-T226 VanDerWaalsContact O-N 3.12Å; T226-L228 PolarHBondContact O-N 3.27Å; T226-S229 WeakPolarHBondContact O-CB 3.21Å; T226-S229 PolarHBondContact O-N 3Å; T226-S229 VanDerWaalsContact O-N 3.12Å
227T49.2Very low56.8Low118 Ų118142 Ų14272%0.72474%0.743SS**G310 helixtrans-62.8-17.8167.560.90000112.4D225 S229D225-T227 PolarHBondContact O-N 3.44Å; T227-S229 PolarHBondContact O-N 3.07Å; T227-S229 VanDerWaalsContact O-N 3.14Å
228L46.5Very low54.4Low138 Ų138142.7 Ų142.772%0.72376%0.758SS**G310 helixtrans-72.113.7168.3-66.2-179.7000114.8T226 R230T226-L228 PolarHBondContact O-N 3.27Å; L228-R230 PolarHBondContact O-N 2.88Å
229S47.8Very low52.4Low111 Ų111141.5 Ų141.578%0.77675%0.754SS**THydrogen-bonded Turntrans-69.454.5168.9-163.70000112.8T226 T227T226-S229 WeakPolarHBondContact O-CB 3.21Å; T226-S229 PolarHBondContact O-N 3Å; T226-S229 VanDerWaalsContact O-N 3.12Å; T227-S229 PolarHBondContact O-N 3.07Å; T227-S229 VanDerWaalsContact O-N 3.14Å
230R48Very low50.8Low244 Ų244143 Ų14392%0.92175%0.754SS**THydrogen-bonded Turntrans-1548.8166.7-125.8177.6-167.4-173.74.8117.1L228L228-R230 PolarHBondContact O-N 2.88Å
231S44.8Very low49.8Very low93 Ų93140.8 Ų140.865%0.6575%0.754SS**  trans-153.4100.7159.7540000110.2
232E52.4Low48.4Very low193 Ų193143.2 Ų143.290%0.90276%0.763SS**  trans-72.8153162.3-166.4179.7152.100109.1
233E53.9Low47.8Very low163 Ų163143.8 Ų143.876%0.76277%0.769SS**SBendtrans77.2143.1177.8111.7-169.3155.300117.4
234N49Very low46.1Very low140 Ų140145.6 Ų145.675%0.74978%0.78SS**  trans70.195.4-176.3-49.2-62.4000118
235L45.3Very low44.6Very low167 Ų167139.9 Ų139.987%0.87478%0.779SS**  174.277.3112.3-92.2174.7000111.9
236S34.5Very low44.3Very low117 Ų117139.5 Ų139.582%0.81878%0.784SS**SBendtrans-161.975.8164-86.90000111.6
237T40.2Very low43.6Very low136 Ų136144.3 Ų144.383%0.83479%0.788SS**  trans179.179.515118.70000110.4
238L36.8Very low43.3Very low177 Ų177144.9 Ų144.993%0.92779%0.787SS**  trans-133.2139.3163.3-106.8173.5000109.8
239G33.9Very low43.1Very low49 Ų49144.8 Ų144.851%0.50579%0.792SS.*  trans93.6122.4-167.800000112.4R255G239-R255 PolarHBondContact O-NH2 3.28Å
240R39.4Very low42.9Very low216 Ų216142.8 Ų142.882%0.81579%0.789SS**  cis-150.6178-4.8-94.3-177.7173.8-118.26.6106.6R255R240-R255 VanDerWaalsContact N-NH2 3.17Å; R240-R255 PolarHBondContact O-NH2 2.95Å
241P43.9Very low43Very low115 Ų115140.5 Ų140.575%0.74779%0.789SS**  cis-120.5-161.6-34.136.3-19.8000110
242D36Very low43.2Very low156 Ų156139.7 Ų139.783%0.83480%0.795SS**  trans-136.6154.5163.1-143.927.3000108.5
243P56.5Low43.1Very low105 Ų105140.4 Ų140.468%0.68280%0.799SS**  trans-113172-164.541.8-34.7000115.2
244D35.7Very low42.6Very low173 Ų173135.5 Ų135.593%0.92579%0.792SS**  trans-146.2149146-100.2-45000108.7
245G35.8Very low43Very low72 Ų72137 Ų13774%0.74279%0.787SS**  trans-93.8-168.2-170.200000115.5
246P47.3Very low43.1Very low123 Ų123133.8 Ų133.880%0.79977%0.774SS**  cis-135.4174.414.342.5-26.5000117.2
247R38.1Very low44.2Very low225 Ų225132.4 Ų132.485%0.84977%0.765SS**  trans99.7134.2169.7-66-175.3171.2-97.22.2117.5
248D42.9Very low45.1Very low129 Ų129135.8 Ų135.869%0.6976%0.762SS**SBendtrans51.3137.2162.7-71.5-62.8000122.7
249T42.4Very low46.1Very low137 Ų137132.9 Ų132.984%0.8475%0.746SS**  trans40114.5156.856.30000119.5
250G43.4Very low47.1Very low69 Ų69135.7 Ų135.771%0.71175%0.749SS**  trans154.4123.2155.100000116.7
251E51.1Low48Very low195 Ų195131.6 Ų131.691%0.91174%0.739SS**  trans-31.6132160.151.9-131.478.700119
252G49.3Very low48.7Very low76 Ų76134.2 Ų134.278%0.78474%0.739SS**  trans176.291167.900000115.5
253Q48.8Very low49.6Very low208 Ų208134.6 Ų134.697%0.97273%0.733SS**  trans-93.9107.3176.8-72.6-167.5-16.800112.9
254G44.8Very low49.3Very low60 Ų60136.3 Ų136.362%0.61974%0.737SS**  trans-75.3162-175.700000116.3V256G254-V256 VanDerWaalsContact C-N 3.31Å; G254-V256 PolarHBondContact O-N 3.48Å
255R56.9Low50.1Low173 Ų173132 Ų13265%0.65372%0.72SS**THydrogen-bonded Turntrans-76-3.2-166.6-71.4174.8-91.3-165.9-0.7116.1G239 R240G239-R255 PolarHBondContact O-NH2 3.28Å; R240-R255 VanDerWaalsContact N-NH2 3.17Å; R240-R255 PolarHBondContact O-NH2 2.95Å
256V47.4Very low50.7Low98 Ų98134.7 Ų134.759%0.59472%0.717SS**THydrogen-bonded Turntrans-75.8-32.8-168.5-173.30000113.7G254 R258 I259G254-V256 VanDerWaalsContact C-N 3.31Å; G254-V256 PolarHBondContact O-N 3.48Å; V256-R258 PolarHBondContact O-N 2.99Å; V256-I259 PolarHBondContact O-N 2.97Å
257S56.8Low50.7Low89 Ų89140.1 Ų140.162%0.62272%0.723SS**Hα-helixtrans-54.4-30.2-176-49.70000113.7I259 Q261S257-I259 VanDerWaalsContact C-N 3.29Å; S257-I259 PolarHBondContact O-N 3.45Å; S257-Q261 VanDerWaalsContact O-CB 3.27Å; S257-Q261 WeakPolarHBondContact O-CB 3.45Å; S257-Q261 PolarHBondContact O-N 3.48Å; S257-Q261 VanDerWaalsContact O-N 3.12Å
258R60.2Low51.1Low206 Ų206131.8 Ų131.878%0.77771%0.707SS**Hα-helixtrans-71.5-17.3-177.9-131.1174.4-167.8162.23.7114.5V256V256-R258 PolarHBondContact O-N 2.99Å
259I58.1Low51.3Low117 Ų117134.1 Ų134.160%0.671%0.711SS**Hα-helixtrans-90-46.5177.4-69.3176.8000110.5V256 S257 Q261 K262V256-I259 PolarHBondContact O-N 2.97Å; S257-I259 VanDerWaalsContact C-N 3.29Å; S257-I259 PolarHBondContact O-N 3.45Å; I259-Q261 VanDerWaalsContact C-N 3.34Å; I259-Q261 PolarHBondContact O-N 2.79Å; I259-K262 PolarHBondContact O-N 3.35Å
260L53.6Low51.4Low107 Ų107135.8 Ų135.856%0.5671%0.713SS**Hα-helixtrans-66.9-34.4178.9-68.1172.8000112.5K262 F263L260-K262 PolarHBondContact O-N 2.93Å; L260-F263 PolarHBondContact O-N 3.44Å
261Q59.6Low51.3Low130 Ų130139.1 Ų139.161%0.60771%0.711SS**THydrogen-bonded Turntrans-55.1-19.3175.3-171.4173.73800114.4S257 I259 C265S257-Q261 VanDerWaalsContact O-CB 3.27Å; S257-Q261 WeakPolarHBondContact O-CB 3.45Å; S257-Q261 PolarHBondContact O-N 3.48Å; S257-Q261 VanDerWaalsContact O-N 3.12Å; I259-Q261 VanDerWaalsContact C-N 3.34Å; I259-Q261 PolarHBondContact O-N 2.79Å; Q261-C265 PolarHBondContact O-SG 2.8Å; Q261-C265 VanDerWaalsContact O-SG 3.34Å
262K58.2Low50.9Low171 Ų171137.4 Ų137.474%0.74370%0.7SS**THydrogen-bonded Turntrans-77.7-16.8173.8-72.2-169.5175.4-178.50114.4I259 L260I259-K262 PolarHBondContact O-N 3.35Å; L260-K262 PolarHBondContact O-N 2.93Å
263F55.4Low50.5Low164 Ų164142.7 Ų142.772%0.71970%0.701SS**THydrogen-bonded Turntrans-98.9-31-176-71.1-81.9000114L260 C265L260-F263 PolarHBondContact O-N 3.44Å; F263-C265 PolarHBondContact O-N 2.8Å
264D49.6Very low50Low140 Ų140138.4 Ų138.475%0.74969%0.694SS**SBendtrans-72.3-12.6174.8-61.3-44.3000113N266D264-N266 PolarHBondContact O-N 2.74Å
265C51.8Low49.9Very low84 Ų84143.4 Ų143.457%0.56870%0.702SS**THydrogen-bonded Turntrans-71.793170.6-68.70000111.2Q261 F263Q261-C265 PolarHBondContact O-SG 2.8Å; Q261-C265 VanDerWaalsContact O-SG 3.34Å; F263-C265 PolarHBondContact O-N 2.8Å
266N49.5Very low49.5Very low127 Ų127140.2 Ų140.268%0.67971%0.705SS**THydrogen-bonded Turntrans101.361.5163.6-52.9-85.8000118.9D264D264-N266 PolarHBondContact O-N 2.74Å
267Y46Very low49.1Very low238 Ų238141 Ų14193%0.93371%0.711SS**SBendtrans-78.5108.6138.3-99.8-84000109.6
268G46.5Very low48.2Very low49 Ų49141.2 Ų141.251%0.50570%0.702SS.*  trans80.1103.4-173.900000112.1
269K48.5Very low47.7Very low178 Ų178139.3 Ų139.377%0.77471%0.707SS**  53.4123.850.6-47.5173.8-175167.50109.9
270L43.4Very low46.8Very low172 Ų172141 Ų14190%0.90172%0.717SS**  -130.2-175.758-75.4167.6000115.6
271Q42.9Very low46.1Very low140 Ų140143.2 Ų143.265%0.65473%0.728SS**  trans-103.1129.4-167.5-68-79.6-79.900114
272K41.2Very low44.8Very low158 Ų158144 Ų14469%0.68774%0.737SS**  49.1120.9127-59.5177.5-178.5150.20121.1
273K40.6Very low43.9Very low187 Ų187144.2 Ų144.281%0.81375%0.745SS**  trans98.6142.2137.6-63.8146.762.3-1700120.1
274S38.6Very low42.8Very low118 Ų118143.4 Ų143.483%0.82575%0.748SS**  trans87.2159.5153.9-61.50000118.8
275H43.4Very low41.8Very low166 Ų166142.1 Ų142.177%0.76975%0.749SS**  trans-104.3161.2-164.4-68.2-109.8000113.7
276S48.4Very low40.9Very low105 Ų105143.5 Ų143.573%0.73476%0.76SS**  trans71161.9146.471.80000120.4
277T39.8Very low39.9Very low116 Ų116141.5 Ų141.571%0.71276%0.76SS**  trans69.1140.8-174.264.50000116
278E38.1Very low39.2Very low93 Ų93136 Ų13644%0.43576%0.757SS.*  cis-158.8167.1-23.945.9-151.5174.600110.5R390 R391 V392E278-R390 VanDerWaalsContact OE1-C 3.27Å; E278-R391 PolarHBondContact OE1-N 3.25Å; E278-R391 WeakPolarHBondContact OE2-CA 3.43Å; E278-R391 PolarHBondContact OE2-N 2.87Å; E278-V392 PolarHBondContact OE2-N 3.13Å
279N49.2Very low38.5Very low165 Ų165138.1 Ų138.188%0.88277%0.77SS**  trans-73.9147.5179.6-82.4-38.4000112.1
280L38.1Very low37.7Very low154 Ų154141 Ų14181%0.80678%0.776SS**  trans-148.1124161.4-101.4172.2000111.6
281L40.3Very low37.7Very low152 Ų152137.6 Ų137.680%0.79676%0.764SS**  trans64.3108.6164.9-45.6-177.4000115.6
282D32.1Very low37.3Very low147 Ų147141.1 Ų141.179%0.78677%0.771SS**  cis75.3104.331.9-151.936.7000113.9
283L37.8Very low36.8Very low176 Ų176141.3 Ų141.392%0.92178%0.775SS**  trans-161.6157.7161-137.474.6000110.2
284D32.2Very low36.2Very low146 Ų146143.9 Ų143.978%0.78178%0.779SS**  trans-108.1176.9-140.8-125.6-47.6000117.2
285C30.4Very low35.8Very low114 Ų114142.2 Ų142.277%0.7777%0.772SS**  trans73.3133.6158.6-78.10000119.4
286S31.8Very low35.2Very low113 Ų113143.7 Ų143.779%0.7978%0.776SS**  cis-167.1-176.6-2.7-1490000107.9
287A29.7Very low35Very low84 Ų84144.6 Ų144.669%0.69478%0.78SS**  cis-160.1169.510.900000113.6
288S31Very low34.8Very low124 Ų124147.3 Ų147.387%0.86779%0.785SS**  trans73.7139166.5-1440000116.3
289A30.9Very low35.6Very low93 Ų93148.3 Ų148.377%0.76980%0.799SS**  cis-135.7170.212.300000114.2
290R31.9Very low34.6Very low237 Ų237146.2 Ų146.289%0.89479%0.792SS**  trans-123.5179.6176.9-101-172-177.8-148.53.8109.2
291P44.3Very low34.5Very low102 Ų102146.9 Ų146.966%0.66280%0.796SS**  cis-125.3-168.6-8.324.52000111.5
292R33.1Very low34.4Very low213 Ų213145.9 Ų145.980%0.80480%0.795SS**  cis-164.1152.839.3-85.3-172.7-92.6-114.8-1.4113.2
293H31.1Very low35.2Very low163 Ų163144.5 Ų144.576%0.75579%0.794SS**  trans47.4124.7146.1-70.4-102.3000121.8
294W28.4Very low34.9Very low241 Ų241144.7 Ų144.791%0.91379%0.788SS**  8113177-148.2-97.6000112.3
295A29.6Very low35.4Very low82 Ų82143.7 Ų143.768%0.67879%0.789SS**  cis-151.5-175.442.500000115.8
296K32.1Very low35.6Very low197 Ų197148.9 Ų148.986%0.85779%0.793SS**  trans-102.9172.8167.1-54.3177.8-179.8176.90110.8
297P44.3Very low36.3Very low124 Ų124149.3 Ų149.381%0.80579%0.793SS**  -147.7-177.887.438.2-19.6000116
298Q35.3Very low36.2Very low174 Ų174150.3 Ų150.381%0.81380%0.795SS**  trans-155140.5178.4-98.2-84.1-9.500110
299P53.9Low37.2Very low113 Ų113149.4 Ų149.473%0.73479%0.786SS**  trans-138.2127.2145.525.4-5.6000113.3
300V28.8Very low37.3Very low122 Ų122150.1 Ų150.174%0.73979%0.785SS**  75.6123.384.6172.30000115.9
301L35.7Very low37.3Very low168 Ų168145.3 Ų145.388%0.8878%0.782SS**  -172.7150.4128.6-99.7170.9000111
302V37.8Very low36.5Very low130 Ų130145.5 Ų145.579%0.78879%0.786SS**  trans-152.9131.2-166.1-159.30000115.3
303P48.9Very low36.4Very low118 Ų118140.6 Ų140.677%0.76678%0.784SS**  trans-123172161.537.2-25.4000115.1
304K32.7Very low36.6Very low180 Ų180141 Ų14178%0.78379%0.786SS**  trans-147.2167.3166.9-153.986.7177.7-178.40107.7
305P42.6Very low37.4Very low125 Ų125135.6 Ų135.681%0.81278%0.782SS**  -150.7-163.292.736.8-15.8000115.1
306R33.1Very low37.5Very low224 Ų224137.1 Ų137.185%0.84578%0.783SS**  trans-139.1160.8177.3-137.2-166.9-61.7-158.64.2108.3
307P46.5Very low37.6Very low122 Ų122133.2 Ų133.279%0.79278%0.781SS**  -155.3-158.188.541.3-19.5000116.1
308S28.6Very low37.9Very low105 Ų105133.5 Ų133.573%0.73478%0.782SS**  trans-124.4-158.5-174.654.80000110.5
309P52.3Low37.6Very low105 Ų105131.5 Ų131.568%0.68278%0.782SS**  cis-148.6-176.75.544.3-22.9000120.3
310S32.9Very low36.8Very low107 Ų107135.1 Ų135.175%0.74879%0.786SS**  trans69.8160.515263.60000120.6
311V30.6Very low36.8Very low136 Ų136137.9 Ų137.982%0.82479%0.791SS**  cis-149.8168.817.8-136.70000114.5
312S29.2Very low36.6Very low107 Ų107136 Ų13675%0.74879%0.787SS**  trans-5.6158.9158.2-150.60000122.2
313S31.2Very low37.1Very low110 Ų110135 Ų13577%0.76978%0.783SS**  cis-162.3-179.937.5-59.20000115.8
314Q34Very low36.4Very low170 Ų170140.4 Ų140.479%0.79479%0.788SS**  trans-83.9178.9173-56.1-176.7-20.800114.2
315P45.3Very low36.5Very low128 Ų128138 Ų13883%0.83179%0.789SS**  -150.3-160.187.242.1-22.6000116
316T31.8Very low36.2Very low115 Ų115137.2 Ų137.271%0.70679%0.786SS**  trans-129.3157.2-167.450.60000115.5
317S35.2Very low36.3Very low114 Ų114136.1 Ų136.180%0.79779%0.788SS**  trans52.4141.3151.2-54.80000123.3
318P49.5Very low35.6Very low130 Ų130135.1 Ų135.184%0.84479%0.79SS**  trans-136.2172.2152.339.3-25.4000115.5
319V28.9Very low35.6Very low132 Ų132138.1 Ų138.180%0.879%0.79SS**  trans-143.8129.5-170160.60000113.1
320F36.4Very low35.3Very low189 Ų189139 Ų13983%0.82980%0.795SS**  trans45.8149.2152.2-90.8-81.8000126.9
321Q29.7Very low35.1Very low181 Ų181140 Ų14085%0.84679%0.788SS**  trans96.4150152.2-77.3173.193.900121.8
322T31.8Very low36.2Very low127 Ų127138.2 Ų138.278%0.77978%0.779SS**  trans-154.2170.6-167.654.50000112
323P48.9Very low36.2Very low110 Ų110139.5 Ų139.571%0.71477%0.774SS**  trans-143.9-124.2133.139.6-23000116
324W33.6Very low36Very low232 Ų232141.4 Ų141.488%0.87977%0.77SS**  trans-140.3-176.2-156.3-53.6-46.7000111.9
325T34.1Very low36.1Very low130 Ų130140 Ų14080%0.79876%0.764SS**  cis-139.3-134.129.757.70000112.8
326S36.8Very low36.5Very low108 Ų108140.1 Ų140.176%0.75576%0.764SS**  cis-150.9-13017.9-168.50000113.8
327K35.5Very low36.2Very low200 Ų200138.5 Ų138.587%0.8777%0.77SS**  trans-136.7-176.2-175.3-56.9-175.3-178.3178.60110.7
328A31.3Very low35.9Very low102 Ų102138.7 Ų138.784%0.84377%0.771SS**  cis-153-153.114.500000113
329K29.5Very low35.9Very low168 Ų168138.4 Ų138.473%0.7377%0.77SS**  trans-159.3157.7-169.7171.8173175179.40113.8
330P43.9Very low35.9Very low123 Ų123140.6 Ų140.680%0.79977%0.771SS**  trans-139.6-174.713134-16.5000115.5
331Q30.1Very low36.3Very low127 Ų127137.5 Ų137.559%0.59377%0.77SS**  trans-158.7170.7-180-131.9-109.2-53.900110.4E333Q331-E333 VanDerWaalsContact NE2-N 3.15Å
332P53.1Low36.4Very low99 Ų99135.6 Ų135.664%0.64377%0.771SS**  -155.8153.488.736.1-14.2000120.2
333E28.5Very low36.3Very low134 Ų134135.1 Ų135.163%0.62677%0.772SS**  trans60.3179.7151.8-81.852.7-83.300120.2Q331Q331-E333 VanDerWaalsContact NE2-N 3.15Å
334H27.8Very low35.5Very low150 Ų150135.8 Ų135.869%0.69478%0.78SS**  cis-145-150.34.6-157.548000115.5
335H36.5Very low35.4Very low142 Ų142132.5 Ų132.566%0.65777%0.772SS**  trans-148.7-173.3-169-29.2-53.9000113.4
336P54.4Low35.3Very low130 Ų130135.1 Ų135.184%0.84477%0.767SS**  cis-137.3-176.9-11.642-24.5000116.2
337G24.6Very low35.2Very low81 Ų81135.8 Ų135.884%0.83576%0.758SS**  trans163.1145.216000000118.7
338S29.9Very low35.1Very low117 Ų117135.6 Ų135.682%0.81875%0.752SS**  trans-155.2168.2168.973.80000110.6
339P48Very low35.2Very low125 Ų125137.3 Ų137.381%0.81274%0.741SS**  -157.4-156.586.243.3-21.4000116
340Q30.3Very low35.2Very low178 Ų178137.6 Ų137.683%0.83274%0.744SS**  trans-105166.4179.9-63.1-175-2.100114
341P44.8Very low34.4Very low123 Ų123135.6 Ų135.680%0.79975%0.747SS**  trans-96.5155.817137.2-33.3000114.4
342V30.4Very low34.3Very low142 Ų142133 Ų13386%0.86175%0.754SS**  trans-135.7159.9175.9-168.70000110.3
343S30.3Very low33.2Very low116 Ų116135.3 Ų135.381%0.81177%0.766SS**  trans-74143.2-170.354.60000116.8
344S32.5Very low33.7Very low125 Ų125135.3 Ų135.387%0.87477%0.774SS**  trans-124.3178.8170.5-167.90000111.9
345F30.1Very low34.4Very low163 Ų163133.8 Ų133.872%0.71578%0.778SS**  trans-153.3165-174.5-176.5-134.1000113.5
346R33.5Very low34.1Very low185 Ų185136.6 Ų136.670%0.69879%0.788SS**  trans74.2166.3174.2-59.2-164.3-174.9-84.22.3117.9
347Q33.2Very low33Very low121 Ų121137.4 Ų137.457%0.56579%0.785SS**  cis179.3135.8-39.9-178.6172.4-3.600109.9
348R35.1Very low33.3Very low197 Ų197141.1 Ų141.174%0.74378%0.781SS**  trans65.4164.1169.9-84.1168.8172.9-164.6-1.3115.6
349F33.1Very low34.2Very low138 Ų138141 Ų14161%0.60578%0.777SS**  cis-148.1157.33.7-130.8-52.1000110.9
350E28.4Very low33.3Very low173 Ų173140.5 Ų140.581%0.80877%0.768SS**  trans49.5132144.7-104.5161.4-135.500124
351G27.2Very low33.2Very low82 Ų82142.7 Ų142.785%0.84577%0.769SS**  114.1109.911200000119.6
352G28Very low32.5Very low72 Ų72140.5 Ų140.574%0.74277%0.769SS**  trans124.6115.2134.700000120.6
353V30.3Very low32.6Very low147 Ų147143 Ų14389%0.89177%0.771SS**  trans74.7139.8138.8-166.30000120.1
354V39.7Very low32.5Very low134 Ų134143.4 Ų143.481%0.81277%0.773SS**  trans-132.5137-179.3164.90000104.3
355P42.3Very low32.6Very low118 Ų118147 Ų14777%0.76677%0.773SS**  -144.5177.370.639.2-19.7000116.7
356K31Very low33.3Very low201 Ų201144.8 Ų144.887%0.87478%0.776SS**  trans-137.6124.1167.8178.5179.6176.9-176.70109.4
357D30.3Very low33Very low147 Ų147142 Ų14279%0.78678%0.779SS**  trans-75.9158.4176.3-76.4-78000114.1
358E31.9Very low32.8Very low159 Ų159147.2 Ų147.274%0.74379%0.793SS**  trans-88.8172.1159.8-130.2-152.1103.100109.3D360E358-D360 PolarHBondContact OE1-N 3.12Å
359P46.9Very low32.5Very low114 Ų114143.8 Ų143.874%0.7479%0.786SS**  -146.2159.952.839.2-18.5000118.6
360D29.4Very low32.5Very low115 Ų115146.8 Ų146.862%0.61579%0.793SS**  trans43.6152.6134.9-164.436.2000123E358E358-D360 PolarHBondContact OE1-N 3.12Å
361R29.6Very low32.4Very low225 Ų225144 Ų14485%0.84978%0.784SS**  trans99.9124.1137.4-137.4174.9-119.9-147.4-7119.7
362G28.9Very low32.4Very low77 Ų77151.5 Ų151.579%0.79479%0.787SS**  trans150.590.8158.800000116
363Q32Very low32.2Very low195 Ų195157.4 Ų157.491%0.91180%0.795SS**  trans-82.9147.1167.5-62.1177.9-100111.4
364S29.8Very low32.1Very low123 Ų123154.5 Ų154.586%0.8679%0.787SS**  175.7151.412743.70000114.9
365K33.4Very low31.6Very low200 Ų200153.6 Ų153.687%0.8779%0.786SS**  trans-130.2151.7158.8-77.9-175.3177.6178.90104.9
366P45Very low30.8Very low118 Ų118156.5 Ų156.577%0.76679%0.79SS**  -154.8163.774.239.8-18.5000119
367T27.1Very low30.9Very low126 Ų126153 Ų15377%0.77379%0.785SS**  trans28.8125.8137.6-46.50000122
368R29.8Very low31.1Very low230 Ų230151.9 Ų151.987%0.86879%0.785SS**  trans-153.2144132.9-165.1169.6179.887.6-0.5112.4
369E27.8Very low31.6Very low126 Ų126149.5 Ų149.559%0.58978%0.784SS**  trans-99.2172.3177.864.8-92.16000114.1
370R33Very low31Very low201 Ų201153.4 Ų153.476%0.75879%0.789SS**  trans148.898133.4-174.1104.5-82.9155.8-4115
371D26.9Very low31.4Very low115 Ų115153.3 Ų153.362%0.61580%0.795SS**  trans60.2176.2141.5-65.2-56.3000124
372W26.6Very low31.3Very low238 Ų238152.4 Ų152.490%0.90280%0.797SS**  trans-112.6164.8-156-56.275.5000113.3
373E24.1Very low31.3Very low196 Ų196155 Ų15592%0.91680%0.797SS**  trans-147.8155.7140.2-162.4144.7-132.800111.2
374A29.4Very low31.5Very low86 Ų86151.4 Ų151.471%0.71179%0.791SS**  trans-142.5142-174.200000112.3
375S28Very low31.2Very low115 Ų115151.5 Ų151.580%0.80479%0.79SS**  trans-177.3156172.8-82.80000109.8
376E26.8Very low31.1Very low179 Ų179146.3 Ų146.384%0.83678%0.779SS**  cis-160.7165.4-28-158.2-179.4174.400107.2
377V32Very low30.9Very low129 Ų129146.6 Ų146.678%0.78278%0.781SS**  trans-129.7130.6-175.5177.40000112.6
378P34Very low31Very low122 Ų122146.4 Ų146.479%0.79277%0.771SS**  trans-125.6158.4153.17.215.6000114.9
379P43.3Very low31Very low110 Ų110141.2 Ų141.271%0.71477%0.766SS**  trans-134.3165.3-160.141-23000118.8
380K33.4Very low31.1Very low195 Ų195143.2 Ų143.285%0.84877%0.768SS**  trans29.3138145.4-64.3179.6179.7174.70122.4
381P37.8Very low31.1Very low114 Ų114143 Ų14374%0.7477%0.767SS**  trans-128.4164.213337.2-26.4000113.3
382K27.3Very low31.2Very low205 Ų205143.1 Ų143.189%0.89177%0.771SS**  cis-159.1169.3-18.1-107.7162-169.51710109.4
383V29.6Very low31.3Very low131 Ų131142.6 Ų142.679%0.79477%0.769SS**  trans-97.5167.5-175.6-1410000111.9
384P37.1Very low31.8Very low120 Ų120137.3 Ų137.378%0.77976%0.759SS**  -143172.690.539.9-23.6000113.6
385C23.6Very low31.6Very low125 Ų125142.4 Ų142.485%0.84577%0.769SS**  cis-151.1163.18.2-148.90000112.5
386S30.1Very low32.1Very low92 Ų92142.9 Ų142.964%0.64377%0.772SS**  trans-95.3-174.7168.2-390000111
387P40.6Very low32.2Very low124 Ų124140.3 Ų140.381%0.80577%0.774SS**  cis-111.5165.835.43.722.1000114.1
388E29.1Very low32.6Very low121 Ų121139 Ų13957%0.56577%0.77SS**  cis82.1116.926-160.1162.6-162.500113.7R390E388-R390 HydrophobicContact CG-CG 4.27Å; E388-R390 IonicContact OE1-CZ 2.93Å; E388-R390 IonicContact OE1-NE 3.23Å; E388-R390 PolarHBondContact OE1-NE 3.14Å; E388-R390 IonicContact OE1-NH2 2.74Å; E388-R390 PolarHBondContact OE1-NH2 3.22Å
389T29.7Very low32.6Very low122 Ų122141 Ų14175%0.74877%0.773SS**  -140.3157.866.343.10000112.9
390R30.8Very low32.5Very low168 Ų168141.2 Ų141.263%0.63477%0.774SS**  cis83.9137.541.3-59.9-176.1-173.9-165.87.8114.5E278 E388E278-R390 VanDerWaalsContact OE1-C 3.27Å; E388-R390 HydrophobicContact CG-CG 4.27Å; E388-R390 IonicContact OE1-CZ 2.93Å; E388-R390 IonicContact OE1-NE 3.23Å; E388-R390 PolarHBondContact OE1-NE 3.14Å; E388-R390 IonicContact OE1-NH2 2.74Å; E388-R390 PolarHBondContact OE1-NH2 3.22Å
391R33.7Very low32.6Very low196 Ų196139 Ų13974%0.7478%0.777SS**  cis-174.9170.4-16.8-96.1-167.9-164.3-1245.7108.8E278E278-R391 PolarHBondContact OE1-N 3.25Å; E278-R391 WeakPolarHBondContact OE2-CA 3.43Å; E278-R391 PolarHBondContact OE2-N 2.87Å
392V27.3Very low32.8Very low117 Ų117137.6 Ų137.671%0.70977%0.77SS**  trans93.9150.3150.6-171.50000117.6E278E278-V392 PolarHBondContact OE2-N 3.13Å
393R29.9Very low33.6Very low227 Ų227132.7 Ų132.786%0.85776%0.762SS**  cis-177.6136.1-40.3-179.4178.4-178.81693.1110.8
394A34.4Very low34.3Very low86 Ų86135.3 Ų135.371%0.71176%0.762SS**  trans60.4174.4163.200000116.8
395E25.7Very low34.8Very low193 Ų193136.2 Ų136.290%0.90277%0.765SS**  cis-130.1-175.27.2-69.9-176.412400113
396S37.2Very low36.2Very low125 Ų125133.8 Ų133.887%0.87474%0.743SS**  trans-108.1140.1-174-56.30000113.6
397S29Very low37Very low125 Ų125140.5 Ų140.587%0.87476%0.755SS**  trans-159.1167150.7-160.60000112.1
398S41.7Very low37.8Very low100 Ų100137.1 Ų137.170%0.69974%0.737SS**  trans-100153.6-172.356.60000113.6
399L34Very low39.2Very low165 Ų165133.1 Ų133.186%0.86472%0.723SS**  trans175.1168.2143.2-95.1173.9000109.6
400P41.1Very low40.9Very low114 Ų114131.9 Ų131.974%0.7472%0.719SS**PPolyproline II helixtrans-82.2150.2-157.532-37.2000115.8
401V35.3Very low43.2Very low150 Ų150130.4 Ų130.491%0.90972%0.719SS**PPolyproline II helixtrans-71.5133.2-179.8178.60000111.8
402S40.5Very low45.6Very low84 Ų84124.6 Ų124.659%0.58770%0.7SS**PPolyproline II helixtrans-81.3151.5-171.7-169.70000114.2K404S402-K404 PolarHBondContact O-N 2.93Å
403S44.3Very low48.5Very low102 Ų102121.9 Ų121.971%0.71368%0.679SS**SBendtrans-68.332.1-172.5-39.10000116.7
404K45.4Very low51.4Low185 Ų185113 Ų11380%0.80465%0.649SS**  trans-100.614.2-168.6-69.8-168.8175.1-176.70116S402S402-K404 PolarHBondContact O-N 2.93Å
405V47.2Very low53.7Low139 Ų139115.5 Ų115.584%0.84264%0.639SS**  trans-123.752.8177.6-161.70000112
406L52.3Low56.7Low74 Ų74110 Ų11039%0.38762%0.621SS.*  trans-122.7108.3159.4-71172.4000107.6A408 I414 P416L406-A408 PolarHBondContact O-N 3.32Å; L406-A408 VanDerWaalsContact O-N 3.08Å; L406-I414 HydrophobicContact CB-CB 4.46Å; L406-I414 WeakPolarHBondContact CB-O 3.29Å; L406-I414 HydrophobicContact CD1-CG2 4.15Å; L406-I414 WeakPolarHBondContact CD1-O 3.09Å; L406-I414 HydrophobicContact CD2-CB 4.31Å; L406-I414 HydrophobicContact CD2-CG2 3.93Å; L406-P416 HydrophobicContact CD1-CG 4.3Å
407R48.7Very low58.9Low233 Ų233105.4 Ų105.488%0.87959%0.588SS**  trans-71.6102.2-177177.5-179.4-107.4133.9-6.2108.7S409R407-S409 PolarHBondContact O-N 3.36Å
408A56.3Low61.7Low54 Ų54104.4 Ų104.445%0.44658%0.579SS.*  trans-59.9127.117200000110.1L406L406-A408 PolarHBondContact O-N 3.32Å; L406-A408 VanDerWaalsContact O-N 3.08Å
409S59.8Low63.8Low37 Ų37108.4 Ų108.426%0.25958%0.584SS.*  trans-84.7175.916876.10000109.6R407 E411 F412 K451R407-S409 PolarHBondContact O-N 3.36Å; S409-E411 PolarHBondContact O-N 3.29Å; S409-E411 PolarHBondContact OG-N 2.91Å; S409-F412 PolarHBondContact N-O 3.04Å; S409-F412 VanDerWaalsContact OG-CD1 3.23Å; S409-F412 WeakPolarHBondContact OG-CD1 3.15Å; S409-F412 WeakPolarHBondContact OG-CD2 3.49Å; S409-F412 WeakPolarHBondContact OG-CE1 3.4Å; S409-F412 VanDerWaalsContact OG-CG 3.29Å; S409-F412 WeakPolarHBondContact OG-CG 3.46Å; S409-F412 PolarHBondContact OG-N 3.26Å; S409-F412 PolarHBondContact OG-O 3.32Å; S409-F412 VanDerWaalsContact OG-O 3.1Å; S409-K451 PolarHBondContact O-NZ 3.04Å
410S64Low66.4Low96 Ų96102 Ų10267%0.67155%0.552SS**SBendtrans-76.4-6.4174-160.40000113.4N453S410-N453 PolarHBondContact O-OD1 2.96Å
411E79Confident68.7Low137 Ų137100.2 Ų100.264%0.6454%0.536SS*.SBendtrans-125-21.9-167.5-175.8173.4-145.600112.4S409 K451S409-E411 PolarHBondContact O-N 3.29Å; S409-E411 PolarHBondContact OG-N 2.91Å; E411-K451 PolarHBondContact O-N 2.8Å
412F84.5Confident71.2Confident74 Ų7495.4 Ų95.433%0.32551%0.505SS..EExtended strand (participates in β ladder)trans-149.1152.4174.854.1-94.3000112.1S409 I414 V448 V449S409-F412 PolarHBondContact N-O 3.04Å; S409-F412 VanDerWaalsContact OG-CD1 3.23Å; S409-F412 WeakPolarHBondContact OG-CD1 3.15Å; S409-F412 WeakPolarHBondContact OG-CD2 3.49Å; S409-F412 WeakPolarHBondContact OG-CE1 3.4Å; S409-F412 VanDerWaalsContact OG-CG 3.29Å; S409-F412 WeakPolarHBondContact OG-CG 3.46Å; S409-F412 PolarHBondContact OG-N 3.26Å; S409-F412 PolarHBondContact OG-O 3.32Å; S409-F412 VanDerWaalsContact OG-O 3.1Å; F412-I414 HydrophobicContact CD2-CD1 4.47Å; F412-I414 HydrophobicContact CD2-CG1 3.9Å; F412-I414 HydrophobicContact CE2-CD1 4.07Å; F412-I414 HydrophobicContact CE2-CG1 4Å; F412-V448 HydrophobicContact CB-CG1 3.79Å; F412-V448 HydrophobicContact CD2-CG1 3.89Å; F412-V448 HydrophobicContact CG-CG1 3.97Å; F412-V449 CarbonylContact C-O 3.56Å; F412-V449 WeakPolarHBondContact CA-O 3.31Å
413E88.9Confident73.5Confident60 Ų6098.4 Ų98.428%0.2851%0.514SS..EExtended strand (participates in β ladder)trans-108.7122.4169.2-159.7179166.200109.5R415 V449E413-R415 VanDerWaalsContact CD-NH2 3.25Å; E413-R415 HydrophobicContact CG-CG 4.17Å; E413-R415 IonicContact OE1-CZ 2.82Å; E413-R415 IonicContact OE1-NE 3.76Å; E413-R415 PolarHBondContact OE1-NE 3.39Å; E413-R415 IonicContact OE1-NH2 2.74Å; E413-R415 PolarHBondContact OE1-NH2 3.43Å; E413-R415 IonicContact OE2-CZ 2.69Å; E413-R415 IonicContact OE2-NE 2.7Å; E413-R415 PolarHBondContact OE2-NE 3.24Å; E413-R415 IonicContact OE2-NH2 3.11Å; E413-R415 PolarHBondContact OE2-NH2 3.44Å; E413-V449 PolarHBondContact N-O 3.18Å; E413-V449 PolarHBondContact O-N 3.38Å
414I89.4Confident75.7Confident41 Ų41101 Ų10121%0.2152%0.515CS..EExtended strand (participates in β ladder)trans-88.8124.6168.8-47.8-175.7000107.3L406 F412 F446 V448L406-I414 HydrophobicContact CB-CB 4.46Å; L406-I414 WeakPolarHBondContact CB-O 3.29Å; L406-I414 HydrophobicContact CD1-CG2 4.15Å; L406-I414 WeakPolarHBondContact CD1-O 3.09Å; L406-I414 HydrophobicContact CD2-CB 4.31Å; L406-I414 HydrophobicContact CD2-CG2 3.93Å; F412-I414 HydrophobicContact CD2-CD1 4.47Å; F412-I414 HydrophobicContact CD2-CG1 3.9Å; F412-I414 HydrophobicContact CE2-CD1 4.07Å; F412-I414 HydrophobicContact CE2-CG1 4Å; I414-F446 HydrophobicContact CG2-CB 3.8Å; I414-F446 HydrophobicContact CG2-CD2 3.49Å; I414-F446 VanDerWaalsContact CG2-CD2 3.49Å; I414-F446 HydrophobicContact CG2-CE2 4.26Å; I414-F446 HydrophobicContact CG2-CG 3.8Å; I414-V448 HydrophobicContact CG1-CG2 4.33Å
415R84.3Confident77.9Confident137 Ų13793.5 Ų93.552%0.51748%0.483SS..EExtended strand (participates in β ladder)trans-124.4155174.1-71.1-168.9170.8174.56.6110.6E413 S417 F446 T447E413-R415 VanDerWaalsContact CD-NH2 3.25Å; E413-R415 HydrophobicContact CG-CG 4.17Å; E413-R415 IonicContact OE1-CZ 2.82Å; E413-R415 IonicContact OE1-NE 3.76Å; E413-R415 PolarHBondContact OE1-NE 3.39Å; E413-R415 IonicContact OE1-NH2 2.74Å; E413-R415 PolarHBondContact OE1-NH2 3.43Å; E413-R415 IonicContact OE2-CZ 2.69Å; E413-R415 IonicContact OE2-NE 2.7Å; E413-R415 PolarHBondContact OE2-NE 3.24Å; E413-R415 IonicContact OE2-NH2 3.11Å; E413-R415 PolarHBondContact OE2-NH2 3.44Å; R415-S417 PolarHBondContact O-N 2.86Å; R415-F446 CarbonylContact O-C 3.51Å; R415-F446 VanDerWaalsContact O-CA 3.23Å; R415-F446 WeakPolarHBondContact O-CA 3.34Å; R415-F446 WeakPolarHBondContact O-CB 3.34Å; R415-T447 PolarHBondContact N-O 2.8Å; R415-T447 PolarHBondContact O-N 2.74Å
416P87.5Confident80.1Confident79 Ų7991 Ų9151%0.51347%0.471SS..EExtended strand (participates in β ladder)trans-55.6139.2166.6-2033.3000109.6L406L406-P416 HydrophobicContact CD1-CG 4.3Å
417S84.7Confident81.9Confident27 Ų2793.6 Ų93.619%0.18948%0.484CS..PPolyproline II helixtrans-63.4141.5178.5-63.90000110.6R415 S445 F446 T447R415-S417 PolarHBondContact O-N 2.86Å; S417-S445 WeakPolarHBondContact CB-OG 3.49Å; S417-S445 PolarHBondContact N-O 3.46Å; S417-S445 PolarHBondContact OG-OG 3.25Å; S417-F446 WeakPolarHBondContact OG-CA 3.36Å; S417-F446 PolarHBondContact OG-N 2.86Å; S417-F446 PolarHBondContact OG-O 2.82Å; S417-T447 PolarHBondContact OG-N 2.81Å; S417-T447 PolarHBondContact OG-OG1 3.26Å; S417-T447 VanDerWaalsContact OG-OG1 3.14Å
418P86.5Confident84Confident105 Ų10585.9 Ų85.968%0.68248%0.477SS*.PPolyproline II helixtrans-52.8143.6163.8-23.934.4000110.4
419K86.8Confident85.8Confident184 Ų18486.6 Ų86.680%0.847%0.474SS*.PPolyproline II helixtrans-63.2130.9169.6-66.8-178-179.2179.70108
420P88.1Confident87.4Confident30 Ų3091.2 Ų91.220%0.19549%0.494CS..PPolyproline II helixtrans-67.9137.1172.530.1-33.3000109A436 R439P420-A436 HydrophobicContact CB-CB 3.74Å; P420-A436 HydrophobicContact CG-CB 3.85Å; P420-A436 VanDerWaalsContact CG-O 3.29Å; P420-A436 WeakPolarHBondContact CG-O 3.49Å; P420-R439 HydrophobicContact CG-CB 4.02Å
421D88.7Confident88.9Confident77 Ų7794.6 Ų94.641%0.41250%0.499SS..PPolyproline II helixtrans-78.3130162.9-167-21.1000107.8D423 Q424 I425D421-D423 PolarHBondContact OD1-N 3.49Å; D421-Q424 HydrophobicContact CB-CB 4.32Å; D421-Q424 HydrophobicContact CB-CG 4.25Å; D421-Q424 PolarHBondContact OD2-NE2 3.16Å; D421-I425 WeakPolarHBondContact O-CD1 3.27Å; D421-I425 WeakPolarHBondContact O-CG1 3.15Å
422I88.4Confident89.6Confident48 Ų4889.5 Ų89.525%0.24648%0.481CS..SBendtrans-89.3-30.3-178.4-64.5176.5000110.2Q424 I425 A436 L440I422-Q424 VanDerWaalsContact C-N 3.28Å; I422-Q424 PolarHBondContact O-N 3.03Å; I422-I425 PolarHBondContact O-N 3.01Å; I422-I425 VanDerWaalsContact O-N 3.14Å; I422-A436 HydrophobicContact CG1-CB 4.39Å; I422-L440 HydrophobicContact CD1-CD2 3.98Å
423D87.7Confident90Very high148 Ų14889 Ų8979%0.79148%0.477SS*.THydrogen-bonded Turntrans-76.5-20.7-174.3-58.9-23.7000111.5D421 I425D421-D423 PolarHBondContact OD1-N 3.49Å; D423-I425 VanDerWaalsContact C-N 3.33Å
424Q91.9Very high90.2Very high157 Ų15788.9 Ų88.973%0.73449%0.486SS*.THydrogen-bonded Turntrans-80.1-7.5171-70.1-176.656.700114.1D421 I422D421-Q424 HydrophobicContact CB-CB 4.32Å; D421-Q424 HydrophobicContact CB-CG 4.25Å; D421-Q424 PolarHBondContact OD2-NE2 3.16Å; I422-Q424 VanDerWaalsContact C-N 3.28Å; I422-Q424 PolarHBondContact O-N 3.03Å
425I90.6Very high90.3Very high26 Ų2690.7 Ų90.713%0.13350%0.496CS..SBendtrans-97.4120.8-178.8-53.2174.5000109.1D421 I422 D423 D429 A432 R433 A436D421-I425 WeakPolarHBondContact O-CD1 3.27Å; D421-I425 WeakPolarHBondContact O-CG1 3.15Å; I422-I425 PolarHBondContact O-N 3.01Å; I422-I425 VanDerWaalsContact O-N 3.14Å; D423-I425 VanDerWaalsContact C-N 3.33Å; I425-D429 HydrophobicContact CG2-CB 4.22Å; I425-A432 HydrophobicContact CD1-CB 4.46Å; I425-A432 HydrophobicContact CG2-CB 3.55Å; I425-R433 HydrophobicContact CB-CG 3.95Å; I425-R433 HydrophobicContact CG2-CG 3.52Å; I425-R433 VanDerWaalsContact O-CZ 3.28Å; I425-R433 PolarHBondContact O-NE 2.87Å; I425-R433 PolarHBondContact O-NH2 3.19Å; I425-A436 HydrophobicContact CD1-CB 3.45Å; I425-A436 VanDerWaalsContact CD1-CB 3.45Å
426P94.1Very high90.7Very high88 Ų8884.3 Ų84.357%0.57147%0.472SS*.  trans-54.9144.7-179.5-26.835000113.4G428 D429 R433P426-G428 PolarHBondContact O-N 2.89Å; P426-G428 VanDerWaalsContact O-N 3.12Å; P426-D429 PolarHBondContact O-N 2.88Å; P426-R433 PolarHBondContact O-NE 3.03Å
427D89.3Confident90.9Very high127 Ų12784 Ų8468%0.67947%0.467SS*.THydrogen-bonded Turntrans-59.4-25.5179.6-61.9-83.9000114R433D427-R433 IonicContact OD1-CZ 3.18Å; D427-R433 IonicContact OD1-NH1 3.51Å; D427-R433 PolarHBondContact OD1-NH1 2.91Å; D427-R433 IonicContact OD1-NH2 2.73Å; D427-R433 PolarHBondContact OD1-NH2 2.85Å; D427-R433 IonicContact OD2-NH2 2.78Å
428G93.1Very high91.1Very high71 Ų7188.3 Ų88.373%0.73249%0.487SS*.THydrogen-bonded Turntrans-76.6-20.3174.600000115.1P426 I430P426-G428 PolarHBondContact O-N 2.89Å; P426-G428 VanDerWaalsContact O-N 3.12Å; G428-I430 VanDerWaalsContact C-N 3.34Å; G428-I430 PolarHBondContact O-N 2.93Å; G428-I430 VanDerWaalsContact O-N 3.07Å
429D95Very high91.1Very high70 Ų7089.3 Ų89.337%0.37448%0.477SS..  trans-88.676179.6-166.2-15.4000111.3I425 P426 Q431 A432 R433I425-D429 HydrophobicContact CG2-CB 4.22Å; P426-D429 PolarHBondContact O-N 2.88Å; D429-Q431 PolarHBondContact O-N 3.47Å; D429-Q431 PolarHBondContact OD1-N 3.34Å; D429-A432 HydrophobicContact CB-CB 4.16Å; D429-A432 PolarHBondContact O-N 2.73Å; D429-A432 WeakPolarHBondContact OD1-CB 3.45Å; D429-A432 PolarHBondContact OD1-N 2.84Å; D429-A432 WeakPolarHBondContact OD2-CB 3.41Å; D429-R433 WeakPolarHBondContact O-CB 3.42Å; D429-R433 WeakPolarHBondContact O-CG 3.48Å; D429-R433 PolarHBondContact O-N 3.21Å
430I93.9Very high91.2Very high133 Ų13384.4 Ų84.468%0.68246%0.459SS*.Hα-helixtrans-58.7-32.5177.4-56.4172.8000110.9G428 A434G428-I430 VanDerWaalsContact C-N 3.34Å; G428-I430 PolarHBondContact O-N 2.93Å; G428-I430 VanDerWaalsContact O-N 3.07Å; I430-A434 VanDerWaalsContact O-CB 3.25Å; I430-A434 WeakPolarHBondContact O-CB 3.41Å; I430-A434 PolarHBondContact O-N 3.41Å
431Q95.3Very high90.9Very high167 Ų16790 Ų9078%0.7848%0.483SS*.Hα-helixtrans-73.4-48.2-177.9-62.3-169.111.100111.5D429 R433 A434 L435D429-Q431 PolarHBondContact O-N 3.47Å; D429-Q431 PolarHBondContact OD1-N 3.34Å; Q431-R433 VanDerWaalsContact C-N 3.34Å; Q431-R433 PolarHBondContact O-N 3.22Å; Q431-A434 PolarHBondContact O-N 3.2Å; Q431-L435 WeakPolarHBondContact O-CB 3.44Å; Q431-L435 PolarHBondContact O-N 3.26Å
432A92.9Very high90.7Very high30 Ų3088.9 Ų88.925%0.24848%0.481CS..Hα-helixtrans-63.1-40174.500000111.4I425 D429 L435 A436I425-A432 HydrophobicContact CD1-CB 4.46Å; I425-A432 HydrophobicContact CG2-CB 3.55Å; D429-A432 HydrophobicContact CB-CB 4.16Å; D429-A432 PolarHBondContact O-N 2.73Å; D429-A432 WeakPolarHBondContact OD1-CB 3.45Å; D429-A432 PolarHBondContact OD1-N 2.84Å; D429-A432 WeakPolarHBondContact OD2-CB 3.41Å; A432-L435 PolarHBondContact O-N 2.88Å; A432-A436 VanDerWaalsContact O-CB 3.26Å; A432-A436 WeakPolarHBondContact O-CB 3.33Å; A432-A436 PolarHBondContact O-N 3.12Å
433R93Very high90.1Very high63 Ų6396.6 Ų96.624%0.23851%0.513CS..Hα-helixtrans-65.4-39.4175.2-73.1-170.8165-165.52.7112.8I425 P426 D427 D429 Q431 A436 N437I425-R433 HydrophobicContact CB-CG 3.95Å; I425-R433 HydrophobicContact CG2-CG 3.52Å; I425-R433 VanDerWaalsContact O-CZ 3.28Å; I425-R433 PolarHBondContact O-NE 2.87Å; I425-R433 PolarHBondContact O-NH2 3.19Å; P426-R433 PolarHBondContact O-NE 3.03Å; D427-R433 IonicContact OD1-CZ 3.18Å; D427-R433 IonicContact OD1-NH1 3.51Å; D427-R433 PolarHBondContact OD1-NH1 2.91Å; D427-R433 IonicContact OD1-NH2 2.73Å; D427-R433 PolarHBondContact OD1-NH2 2.85Å; D427-R433 IonicContact OD2-NH2 2.78Å; D429-R433 WeakPolarHBondContact O-CB 3.42Å; D429-R433 WeakPolarHBondContact O-CG 3.48Å; D429-R433 PolarHBondContact O-N 3.21Å; Q431-R433 VanDerWaalsContact C-N 3.34Å; Q431-R433 PolarHBondContact O-N 3.22Å; R433-A436 PolarHBondContact O-N 3.01Å; R433-N437 WeakPolarHBondContact O-CB 3.37Å; R433-N437 PolarHBondContact O-N 3.11Å; R433-N437 PolarHBondContact O-ND2 2.73Å
434A93.6Very high89.7Confident59 Ų5996.1 Ų96.149%0.48851%0.51SS..Hα-helixtrans-64.1-44.7173.600000111.7I430 Q431 A436 N437 L438I430-A434 VanDerWaalsContact O-CB 3.25Å; I430-A434 WeakPolarHBondContact O-CB 3.41Å; I430-A434 PolarHBondContact O-N 3.41Å; Q431-A434 PolarHBondContact O-N 3.2Å; A434-A436 PolarHBondContact O-N 3.4Å; A434-N437 PolarHBondContact O-N 2.74Å; A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 2.93Å
435L91.7Very high89.4Confident78 Ų7890.4 Ų90.441%0.40849%0.487SS..Hα-helixtrans-65.7-36.8177.5-176.959.9000112.4Q431 A432 R439Q431-L435 WeakPolarHBondContact O-CB 3.44Å; Q431-L435 PolarHBondContact O-N 3.26Å; A432-L435 PolarHBondContact O-N 2.88Å; L435-R439 WeakPolarHBondContact O-CB 3.45Å; L435-R439 VanDerWaalsContact O-CG 3.29Å; L435-R439 WeakPolarHBondContact O-CG 3.49Å; L435-R439 PolarHBondContact O-N 3.38Å
436A91.4Very high89.2Confident3 Ų394.7 Ų94.73%0.02551%0.505CS..Hα-helixtrans-65.3-48.2174.800000111.7P420 I422 I425 A432 R433 A434 L438 R439 L440P420-A436 HydrophobicContact CB-CB 3.74Å; P420-A436 HydrophobicContact CG-CB 3.85Å; P420-A436 VanDerWaalsContact CG-O 3.29Å; P420-A436 WeakPolarHBondContact CG-O 3.49Å; I422-A436 HydrophobicContact CG1-CB 4.39Å; I425-A436 HydrophobicContact CD1-CB 3.45Å; I425-A436 VanDerWaalsContact CD1-CB 3.45Å; A432-A436 VanDerWaalsContact O-CB 3.26Å; A432-A436 WeakPolarHBondContact O-CB 3.33Å; A432-A436 PolarHBondContact O-N 3.12Å; R433-A436 PolarHBondContact O-N 3.01Å; A434-A436 PolarHBondContact O-N 3.4Å; A436-L438 VanDerWaalsContact C-N 3.34Å; A436-L438 PolarHBondContact O-N 2.77Å; A436-R439 PolarHBondContact O-N 3.42Å; A436-L440 WeakPolarHBondContact O-CB 3.43Å; A436-L440 PolarHBondContact O-N 2.85Å
437N91.6Very high88.9Confident74 Ų7493.4 Ų93.440%0.39650%0.496SS..Hα-helixtrans-59.8-43174.8-81.2-69.6000111.9R433 A434 R439 L440 Q441R433-N437 WeakPolarHBondContact O-CB 3.37Å; R433-N437 PolarHBondContact O-N 3.11Å; R433-N437 PolarHBondContact O-ND2 2.73Å; A434-N437 PolarHBondContact O-N 2.74Å; N437-R439 PolarHBondContact O-N 2.84Å; N437-L440 PolarHBondContact O-N 3.27Å; N437-Q441 WeakPolarHBondContact O-CG 3.41Å; N437-Q441 PolarHBondContact O-N 3.05Å
438L89.4Confident89Confident117 Ų11790.8 Ų90.861%0.61348%0.484SS*.Hα-helixtrans-61.8-41175.8-177.361.7000112.4A434 A436 S442A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 2.93Å; A436-L438 VanDerWaalsContact C-N 3.34Å; A436-L438 PolarHBondContact O-N 2.77Å; L438-S442 WeakPolarHBondContact O-CB 3.46Å; L438-S442 PolarHBondContact O-N 2.86Å
439R87.3Confident88.7Confident125 Ų12590.8 Ų90.847%0.47247%0.47SS..Hα-helixtrans-67.4-32.3174.2-76.3171.4177.2173.9-0.3112.8P420 L435 A436 N437P420-R439 HydrophobicContact CG-CB 4.02Å; L435-R439 WeakPolarHBondContact O-CB 3.45Å; L435-R439 VanDerWaalsContact O-CG 3.29Å; L435-R439 WeakPolarHBondContact O-CG 3.49Å; L435-R439 PolarHBondContact O-N 3.38Å; A436-R439 PolarHBondContact O-N 3.42Å; N437-R439 PolarHBondContact O-N 2.84Å
440L87.3Confident88.3Confident81 Ų8192.1 Ų92.142%0.42448%0.482SS..Hα-helixtrans-73.7-38.3177.7-172.864.4000112.4I422 A436 N437I422-L440 HydrophobicContact CD1-CD2 3.98Å; A436-L440 WeakPolarHBondContact O-CB 3.43Å; A436-L440 PolarHBondContact O-N 2.85Å; N437-L440 PolarHBondContact O-N 3.27Å
441Q83.8Confident87.5Confident148 Ų14889.3 Ų89.369%0.69247%0.465SS*.Hα-helixtrans-76.8-30.5175.6-61.4-58.5-30.900112.6N437 K443N437-Q441 WeakPolarHBondContact O-CG 3.41Å; N437-Q441 PolarHBondContact O-N 3.05Å; Q441-K443 PolarHBondContact O-N 3.07Å; Q441-K443 VanDerWaalsContact O-N 3.16Å
442S83.1Confident86.4Confident53 Ų5392 Ų9237%0.37147%0.468SS..  trans-78.897.8179.1-174.10000112.6L438 N444 S445L438-S442 WeakPolarHBondContact O-CB 3.46Å; L438-S442 PolarHBondContact O-N 2.86Å; S442-N444 PolarHBondContact O-N 3.21Å; S442-S445 PolarHBondContact O-N 3.38Å
443K75.2Confident84.5Confident210 Ų21096.1 Ų96.191%0.91349%0.486SS*.THydrogen-bonded Turntrans-60.9-1.6171.5-63-179.6-178.4175.20114.6Q441Q441-K443 PolarHBondContact O-N 3.07Å; Q441-K443 VanDerWaalsContact O-N 3.16Å
444N80.4Confident82.7Confident139 Ų139100.2 Ų100.274%0.74351%0.512SS*.THydrogen-bonded Turntrans-123.817.8-171.9-13369.6000113.3S442S442-N444 PolarHBondContact O-N 3.21Å
445S85.6Confident80.3Confident36 Ų36105.8 Ų105.825%0.25253%0.528SS..  trans-73.5132.5176-168.10000111.9S417 S442S417-S445 WeakPolarHBondContact CB-OG 3.49Å; S417-S445 PolarHBondContact N-O 3.46Å; S417-S445 PolarHBondContact OG-OG 3.25Å; S442-S445 PolarHBondContact O-N 3.38Å
446F87.1Confident77.8Confident117 Ų117107.9 Ų107.951%0.51354%0.54SS..EExtended strand (participates in β ladder)trans-131.8154.8175.364.9-96.7000112I414 R415 S417 V448I414-F446 HydrophobicContact CG2-CB 3.8Å; I414-F446 HydrophobicContact CG2-CD2 3.49Å; I414-F446 VanDerWaalsContact CG2-CD2 3.49Å; I414-F446 HydrophobicContact CG2-CE2 4.26Å; I414-F446 HydrophobicContact CG2-CG 3.8Å; R415-F446 CarbonylContact O-C 3.51Å; R415-F446 VanDerWaalsContact O-CA 3.23Å; R415-F446 WeakPolarHBondContact O-CA 3.34Å; R415-F446 WeakPolarHBondContact O-CB 3.34Å; S417-F446 WeakPolarHBondContact OG-CA 3.36Å; S417-F446 PolarHBondContact OG-N 2.86Å; S417-F446 PolarHBondContact OG-O 2.82Å; F446-V448 HydrophobicContact CD2-CG2 3.97Å; F446-V448 HydrophobicContact CE2-CG2 3.84Å
447T87.2Confident75.1Confident60 Ų60113.7 Ų113.737%0.36858%0.58SS.*EExtended strand (participates in β ladder)trans-115.2136.9173.6-600000108.5R415 S417 V449R415-T447 PolarHBondContact N-O 2.8Å; R415-T447 PolarHBondContact O-N 2.74Å; S417-T447 PolarHBondContact OG-N 2.81Å; S417-T447 PolarHBondContact OG-OG1 3.26Å; S417-T447 VanDerWaalsContact OG-OG1 3.14Å; T447-V449 HydrophobicContact CG2-CG2 4.22Å
448V90.8Very high72.4Confident73 Ų73116.3 Ų116.344%0.44260%0.599SS.*EExtended strand (participates in β ladder)trans-101.9122.6175.4-174.70000108.6F412 I414 F446F412-V448 HydrophobicContact CB-CG1 3.79Å; F412-V448 HydrophobicContact CD2-CG1 3.89Å; F412-V448 HydrophobicContact CG-CG1 3.97Å; I414-V448 HydrophobicContact CG1-CG2 4.33Å; F446-V448 HydrophobicContact CD2-CG2 3.97Å; F446-V448 HydrophobicContact CE2-CG2 3.84Å
449V86.8Confident69.7Low71 Ų71115.1 Ų115.143%0.4361%0.606SS.*EExtended strand (participates in β ladder)trans-113.9109.5-177.4-176.80000108.9F412 E413 T447 K451F412-V449 CarbonylContact C-O 3.56Å; F412-V449 WeakPolarHBondContact CA-O 3.31Å; E413-V449 PolarHBondContact N-O 3.18Å; E413-V449 PolarHBondContact O-N 3.38Å; T447-V449 HydrophobicContact CG2-CG2 4.22Å; V449-K451 PolarHBondContact O-N 3.09Å
450P86.1Confident67.1Low97 Ų97114 Ų11463%0.6362%0.623SS**EExtended strand (participates in β ladder)trans-60.3133.4175.9-25.235.3000112.1
451K78.4Confident64.5Low75 Ų75118.2 Ų118.233%0.32664%0.644SS.*  trans-90119.4173.7-66.6177.8179177.80108.7S409 E411 V449 N453S409-K451 PolarHBondContact O-NZ 3.04Å; E411-K451 PolarHBondContact O-N 2.8Å; V449-K451 PolarHBondContact O-N 3.09Å; K451-N453 PolarHBondContact O-N 2.82Å
452R70.9Confident62.4Low224 Ų224115.6 Ų115.685%0.84564%0.643SS**  trans-82.1108.1173.3-65.4-176.9176.791.2-1.8108.8L454R452-L454 PolarHBondContact O-N 3.1Å
453N54Low60.2Low116 Ų116119.3 Ų119.362%0.6267%0.665SS**  trans-74.7119.4175.5-67.9-15.9000109.5S410 K451S410-N453 PolarHBondContact O-OD1 2.96Å; K451-N453 PolarHBondContact O-N 2.82Å
454L54.5Low58.1Low149 Ų149112 Ų11278%0.7865%0.65SS**  trans-117.387.4-179.9-92.6164.2000109.8R452R452-L454 PolarHBondContact O-N 3.1Å
455Q43.9Very low57Low176 Ų176111.4 Ų111.482%0.82265%0.653SS**  trans-176.6142.5165.4-101138.790.100106.3
456D38.4Very low54.9Low122 Ų122115.5 Ų115.565%0.65268%0.68SS**  cis-145.2150.912.7-108.4-51.9000113.6
457S35.1Very low52.5Low124 Ų124114.7 Ų114.787%0.86769%0.688SS**  trans-168.3112.1148.6-82.70000109.2
458T34.9Very low50Low130 Ų130118 Ų11880%0.79871%0.711SS**  trans-129.5110.2-171.8-64.50000111.8
459A33.8Very low47Very low92 Ų92120.9 Ų120.976%0.7673%0.729SS**  trans-171.4122.4151.500000110.8
460A32.3Very low44.4Very low102 Ų102127.4 Ų127.484%0.84375%0.751SS**  trans39.9132.316200000119.6
461I32.7Very low41.7Very low168 Ų168128.4 Ų128.486%0.86276%0.76SS**  cis-135.6147.929.9-69.2170.5000110.2
462S39.4Very low39.4Very low94 Ų94130 Ų13066%0.65778%0.782SS**  trans-98.6154.5172.6-166.70000110.8G464S462-G464 PolarHBondContact OG-N 3.47Å
463P35.8Very low38Very low130 Ų130124.2 Ų124.284%0.84477%0.772SS**  -127.8146.499.236.1-30.7000113.9
464G31.7Very low36.7Very low58 Ų58126.6 Ų126.660%0.59878%0.784SS**  trans-86.8-176.1179.700000114.7S462S462-G464 PolarHBondContact OG-N 3.47Å
465P56.7Low36.2Very low125 Ų125125.4 Ų125.481%0.81279%0.786SS**  trans-81.8-179.9-172.236.4-38.4000113
466P41.9Very low35.4Very low123 Ų123120.6 Ų120.680%0.79978%0.783SS**  -137.6155.6113.938.3-29.3000115
467S36Very low34.9Very low100 Ų100121.3 Ų121.370%0.69979%0.792SS**PPolyproline II helixtrans-82.9149.2160.8510000111.3
468P35.3Very low35.1Very low130 Ų130121.3 Ų121.384%0.84479%0.789SS**PPolyproline II helixtrans-87.1136.2167.232.5-30.7000111.7
469T28.5Very low34.8Very low132 Ų132121.2 Ų121.281%0.8179%0.788SS**PPolyproline II helixtrans-92.5168.2179.8-50.20000111.3
470K32.9Very low35.3Very low208 Ų208122.4 Ų122.490%0.90479%0.788SS**  trans-93.7107.1-175.1-174.4-179.8-176.2178.80112.4
471S28.4Very low36Very low118 Ų118121.9 Ų121.983%0.82578%0.776SS**  trans-153.2166.5171.854.90000113.4
472S29.4Very low35.9Very low110 Ų110122.8 Ų122.877%0.76978%0.776SS**  trans-110.5-164-169.750.50000112.3
473P41.8Very low35.6Very low101 Ų101123.2 Ų123.266%0.65678%0.779SS**  -132.3159.1-65.136.5-21.5000115.7
474L28.2Very low35.9Very low166 Ų166122.2 Ų122.287%0.86977%0.773SS**  trans62.2173.1159-71.6163.8000117.8
475P43.7Very low35.9Very low124 Ų124127.1 Ų127.181%0.80578%0.782SS**  cis-124.9170.8-38.936.2-22000113.4
476G27.5Very low34.7Very low75 Ų75129.8 Ų129.877%0.77378%0.781SS**  trans177.4130.416800000116
477V27.8Very low34.3Very low138 Ų138132.5 Ų132.584%0.83678%0.78SS**  trans-145.3134-176167.10000105.9
478P38Very low34Very low123 Ų123135.2 Ų135.280%0.79978%0.779SS**  -152.1166.274.241.9-21.3000119.8
479T28.4Very low33.9Very low129 Ų129135 Ų13579%0.79177%0.767SS**  trans-85.6-172.6160.739.40000110.2
480P45.1Very low34.1Very low116 Ų116136 Ų13675%0.75376%0.763SS**  cis-138.3-145.415.647-25000111.8
481P47.4Very low33.8Very low92 Ų92133.7 Ų133.760%0.59775%0.753SS**  cis-132158.4-16.829.2-7.7000116.4
482H30.8Very low33.9Very low186 Ų186133.9 Ų133.986%0.86175%0.749SS**  169.1160.5114.8-92.5-75000112
483S33Very low33.8Very low103 Ų103135 Ų13572%0.7274%0.742SS**  trans-131.5-178-169.373.90000109.6
484P41.5Very low33.2Very low110 Ų110137.5 Ų137.571%0.71474%0.742SS**  cis-108.9-174.216.79.217.7000112.4
485M31.7Very low33.1Very low160 Ų160138.8 Ų138.879%0.78874%0.741SS**  cis-157.5-164.1-3.9-121.9178.4-16100107.3
486K31.8Very low32.4Very low181 Ų181142 Ų14279%0.78774%0.742SS**  cis-143-128.36.5-146.3151.9-171.71720111.8
487K32.5Very low32.5Very low180 Ų180146.4 Ų146.478%0.78374%0.743SS**  trans-152.2168.3-178.8-62.4-166.9176.9-1720109
488K30.3Very low33.2Very low157 Ų157146 Ų14668%0.68374%0.743SS**  cis-144.4135.527.6-80.1-178.8152.2-78.80111.3
489E32.8Very low32.6Very low126 Ų126147.6 Ų147.659%0.58974%0.74SS**  79.7113.3103.9-62.7157.7-16500114.3
490E32.7Very low32.8Very low153 Ų153147 Ų14772%0.71574%0.736SS**  89.3136.480.1-145.7-167.5129.500111.1
491K27.3Very low33.1Very low160 Ų160146.8 Ų146.870%0.69673%0.734SS**  cis-153.5140.529.2-152.5-179.2-163.2830108.3
492V30Very low33Very low122 Ų122148.5 Ų148.574%0.73975%0.746SS**  67.4131.457160.20000113.2
493E28.4Very low32.9Very low133 Ų133144.9 Ų144.962%0.62174%0.741SS**  cis-176.1150.1-11.8-169.7-166.6-144.200112
494K27.5Very low33.4Very low153 Ų153145.8 Ų145.867%0.66574%0.744SS**  trans65173.5157.7-86.5166.3-154.2146.90117.4
495K27.8Very low32.7Very low194 Ų194146.3 Ų146.384%0.84375%0.751SS**  cis-150.6-177.15.2-137.6162.7-178.5-179.40113.2
496K28.6Very low32.8Very low191 Ų191143.5 Ų143.583%0.8375%0.747SS**  trans-76.1154.4-170.1-58.3-176.4171.4-165.10118.3
497E29.1Very low34.1Very low167 Ų167140 Ų14078%0.7874%0.743SS**  trans-2.3144.2133.2-156.3179.9-176.500120.7
498P41.8Very low34.8Very low130 Ų130136.9 Ų136.984%0.84474%0.741SS**  -141.1-159.3114.340.8-26.3000115.3
499E27Very low34.9Very low156 Ų156135.4 Ų135.473%0.72975%0.745SS**  trans-137.4152.8-140.1-157.4-157.1142.700116.8
500V32Very low34.9Very low117 Ų117135.9 Ų135.971%0.70976%0.756SS**  trans53.9173.4160.9-79.90000122.2
501P51Low34.9Very low112 Ų112135 Ų13573%0.72776%0.761SS**  cis-130.1-144-49.841-23000110.7
502P45.3Very low35.1Very low128 Ų128132.7 Ų132.783%0.83177%0.765SS**  cis-120.1-165.1-37.537.1-18.5000113.9
503S29.2Very low36Very low109 Ų109132.9 Ų132.976%0.76277%0.769SS**  trans-107.3159.4-176.9-1770000114.5
504P43Very low36.1Very low122 Ų122131 Ų13179%0.79278%0.776SS**  -157.7166110.740.6-22.1000119.9
505S27.6Very low36.5Very low121 Ų121129.3 Ų129.385%0.84678%0.784SS**  trans84.3160148.5-144.60000124
506S32.7Very low37.5Very low102 Ų102125.9 Ų125.971%0.71378%0.781SS**  trans-149-164.3-178.4640000110.1
507P58.8Low37.5Very low107 Ų107123.5 Ų123.570%0.69578%0.782SS**  cis-124.1-166.1-23.442.6-25.3000112.7
508P48.3Very low37.6Very low115 Ų115120.3 Ų120.375%0.74778%0.778SS**  -153.3151.590.337.4-16.1000117.6
509V32.1Very low37.8Very low126 Ų126120 Ų12076%0.76478%0.777SS**  63.5126.589.6-159.20000116.2
510V32.1Very low37.9Very low136 Ų136119.1 Ų119.182%0.82478%0.782SS**  -170.1169.389.21670000113.4
511T32.9Very low38.4Very low133 Ų133118.5 Ų118.582%0.81678%0.78SS**  trans-89.7-177.8-152.351.20000122.7
512S31.9Very low37.2Very low112 Ų112122.9 Ų122.978%0.78379%0.788SS**  trans-103.5177.3-173.1-12.30000118.7
513P49.3Very low36.5Very low127 Ų127125.4 Ų125.483%0.82579%0.789SS**  trans-109.4-171.9143.8320.9000111.7
514A30.3Very low37.7Very low92 Ų92125.3 Ų125.376%0.7679%0.785SS**  cis-170.4-178.3-20.600000110.4
515S36.3Very low37.5Very low119 Ų119124.3 Ų124.383%0.83278%0.779SS**  trans-158.6171.2170-58.80000111
516P49.1Very low37.6Very low121 Ų121124.6 Ų124.679%0.78678%0.775SS**  -165.6179.4102.443-21.3000120.5
517V29.1Very low37.7Very low142 Ų142126.9 Ų126.986%0.86178%0.779SS**  trans85.6140.4157.6-170.70000121.7
518S30.8Very low36.5Very low100 Ų100130.7 Ų130.770%0.69979%0.785SS**  trans-146.1173.4170.563.70000111.3
519P46.1Very low35.9Very low124 Ų124132.9 Ų132.981%0.80579%0.789SS**  -150168119.137.3-19.9000117.8
520T27.2Very low36.2Very low136 Ų136131.8 Ų131.883%0.83479%0.785SS**  trans-93.1-163178.435.70000112
521P44Very low36.4Very low105 Ų105131.1 Ų131.168%0.68278%0.781SS**  cis-145.9170.76.340.9-19.7000119.9
522K26.2Very low36.5Very low204 Ų204129.8 Ų129.889%0.88777%0.773SS**  164.4159.8125.8-89.4168.4-176.7-179.90114.8
523Q30.5Very low37.2Very low181 Ų181130.7 Ų130.785%0.84677%0.769SS**  trans-169.8178.9-174-151.5-159.1-11.800107.1
524P53.8Low37.3Very low106 Ų106130.8 Ų130.869%0.68876%0.761SS**  cis-97.5-139.2-4043.4-31.1000108.5
525P38.9Very low38.3Very low101 Ų101134.5 Ų134.566%0.65677%0.768SS**  cis-130.1-179.9-2336.7-17.7000115.4
526V29.4Very low38.5Very low128 Ų128135.1 Ų135.178%0.77676%0.762SS**  trans58.1146.9170.4-77.30000116.8
527D34.1Very low37.8Very low149 Ų149136 Ų13680%0.79776%0.759SS**  cis-134.2168.335.1-126.2-37.7000117.1
528K35.2Very low38.4Very low187 Ų187137.4 Ų137.481%0.81376%0.756SS**  trans-90.699.3-179.7-62.6174.7-174.5173.20111.2
529L35.6Very low38.7Very low161 Ų161138.5 Ų138.584%0.84376%0.758SS**  trans-68.1130.9159.7-64.7-179.2000109V531L529-V531 PolarHBondContact O-N 2.71Å
530P38.2Very low38Very low104 Ų104140.5 Ų140.568%0.67576%0.757SS**  trans-68.7122.5176.327.6-32.5000109.6T532P530-T532 VanDerWaalsContact C-N 3.28Å; P530-T532 HydrophobicContact CB-CG2 4.35Å; P530-T532 HydrophobicContact CG-CG2 4.38Å; P530-T532 PolarHBondContact O-N 3.43Å
531V34.8Very low38.4Very low121 Ų121139.1 Ų139.173%0.73375%0.75SS**  trans-68.394.9160.1-1790000106.6L529 N533L529-V531 PolarHBondContact O-N 2.71Å; V531-N533 WeakPolarHBondContact CG1-OD1 3.35Å; V531-N533 PolarHBondContact O-N 3.29Å
532T36.7Very low37.9Very low105 Ų105140 Ų14064%0.64476%0.756SS**  trans-74.491.2175.251.80000108.5P530 I534P530-T532 VanDerWaalsContact C-N 3.28Å; P530-T532 HydrophobicContact CB-CG2 4.35Å; P530-T532 HydrophobicContact CG-CG2 4.38Å; P530-T532 PolarHBondContact O-N 3.43Å; T532-I534 VanDerWaalsContact C-N 3.33Å; T532-I534 PolarHBondContact O-N 2.78Å
533N46.3Very low38.2Very low132 Ų132138.6 Ų138.671%0.70675%0.752SS**  trans-64.688.4174.9-56.9-51.3000110.3V531V531-N533 WeakPolarHBondContact CG1-OD1 3.35Å; V531-N533 PolarHBondContact O-N 3.29Å
534I51.2Low38.2Very low128 Ų128141.3 Ų141.366%0.65676%0.755SS**  trans-132.856.4163.9-48.280.4000108.6T532T532-I534 VanDerWaalsContact C-N 3.33Å; T532-I534 PolarHBondContact O-N 2.78Å
535D50.1Low37.1Very low170 Ų170142.7 Ų142.791%0.90976%0.761SS**SBendtrans-150.242.8156.6-116.8-25.5000109.3
536D41.5Very low37.1Very low132 Ų132143.6 Ų143.671%0.70677%0.767SS**  trans-143.368.4174.9-149.10.6000109.6
537I34.8Very low37.1Very low141 Ų141143.9 Ų143.972%0.72377%0.768SS**  trans-10783.1165.9-63.3-178.5000107V539I537-V539 VanDerWaalsContact C-N 3.35Å; I537-V539 HydrophobicContact CG2-CG2 3.85Å; I537-V539 PolarHBondContact O-N 2.89Å
538E40.1Very low37.2Very low171 Ų171142.6 Ų142.680%0.79977%0.769SS**  trans-61.998.6157.8-73-161.6118.800108.6E540E538-E540 PolarHBondContact O-N 2.97Å
539V37.2Very low37Very low122 Ų122139 Ų13974%0.73977%0.767SS**  trans-72.979.3161.5-176.50000107.7I537I537-V539 VanDerWaalsContact C-N 3.35Å; I537-V539 HydrophobicContact CG2-CG2 3.85Å; I537-V539 PolarHBondContact O-N 2.89Å
540E32.4Very low37.1Very low166 Ų166136.9 Ų136.978%0.77676%0.763SS**  trans-55.1125.2170-170.8-172.9-179.500108.6E538 P542E538-E540 PolarHBondContact O-N 2.97Å; E540-P542 WeakPolarHBondContact O-CD 3.36Å
541P36.6Very low36.8Very low107 Ų107140.8 Ų140.870%0.69577%0.774SS**  trans-73.3114-172.627.1-33.9000111.1Q543P541-Q543 PolarHBondContact O-N 3.11Å
542P32.9Very low37.1Very low123 Ų123141 Ų14180%0.79978%0.775SS**  trans-69.8100-173.527.5-34.7000111.4E540E540-P542 WeakPolarHBondContact O-CD 3.36Å
543Q32.7Very low37.4Very low176 Ų176143.8 Ų143.882%0.82278%0.781SS**  trans-72.1133.3177.2-156.4177.769.600110.4P541 V545P541-Q543 PolarHBondContact O-N 3.11Å; Q543-V545 PolarHBondContact O-N 3.12Å
544R30.6Very low37Very low238 Ų238149.4 Ų149.490%0.89879%0.793SS**  trans-68.3130.5-168.4-56.6178.2-175.994.31.9112.8
545V30.1Very low36.9Very low134 Ų134152.1 Ų152.181%0.81280%0.8SS**  trans-109.8125.8157.5-171.90000108.8Q543Q543-V545 PolarHBondContact O-N 3.12Å
546P39Very low37.1Very low121 Ų121153.4 Ų153.479%0.78680%0.797SS**  trans-97.5135.1-173.134.1-30.1000113.6
547V29.6Very low37.4Very low133 Ų133149.8 Ų149.881%0.80679%0.791SS**  trans-129.2138.6169.81790000107.9
548P36.1Very low38.5Very low123 Ų123148 Ų14880%0.79978%0.783SS**  trans-87.9143.3-160.533-35.9000114.7
549S30.3Very low39Very low111 Ų111144.9 Ų144.978%0.77678%0.776SS**  trans-113.2148.4163-700000109.8
550P39.1Very low40Very low117 Ų117145.1 Ų145.176%0.7677%0.767SS**  trans-69.3140.5-15824.7-34.9000114.6V552P550-V552 VanDerWaalsContact C-N 3.27Å; P550-V552 PolarHBondContact O-N 3.42Å
551M30.8Very low41.3Very low185 Ų185140.8 Ų140.891%0.91175%0.752SS**  trans-71.378.6170.1-77.517348.500111.2Q553M551-Q553 PolarHBondContact O-N 3.41Å; M551-Q553 VanDerWaalsContact O-N 3.17Å
552V41.2Very low42.9Very low125 Ų125138.8 Ų138.876%0.75874%0.738SS**  trans-65.1115.7161.1-1630000107.1P550 R554P550-V552 VanDerWaalsContact C-N 3.27Å; P550-V552 PolarHBondContact O-N 3.42Å; V552-R554 PolarHBondContact O-N 2.81Å
553Q43.2Very low44.5Very low165 Ų165136.1 Ų136.177%0.77172%0.719SS**  trans-58.9109.6-177.7-66.2173.7-1400109.7M551 K555M551-Q553 PolarHBondContact O-N 3.41Å; M551-Q553 VanDerWaalsContact O-N 3.17Å; Q553-K555 PolarHBondContact O-N 2.96Å
554R38.1Very low46Very low250 Ų250131.5 Ų131.594%0.94371%0.705SS**  trans-67.288.8166.3-77.6-170.7171.1124.3-0.1108.1V552 K556V552-R554 PolarHBondContact O-N 2.81Å; R554-K556 PolarHBondContact O-N 3.45Å
555K49.7Very low47.4Very low185 Ų185126.4 Ų126.480%0.80469%0.689SS**  trans-50.5130.4174.3-76.5-178.8175.4177.30108.3Q553 G557Q553-K555 PolarHBondContact O-N 2.96Å; K555-G557 PolarHBondContact O-N 2.75Å
556K53.6Low48.6Very low196 Ų196131.5 Ų131.585%0.85269%0.694SS**  trans-45.2132.8-178.8-172178.9179.7-175.20109.7R554R554-K556 PolarHBondContact O-N 3.45Å
557G47.8Very low48.8Very low57 Ų57131.4 Ų131.459%0.58870%0.696SS**  trans-52.3144.8176.600000110.8K555 T559K555-G557 PolarHBondContact O-N 2.75Å; G557-T559 PolarHBondContact O-N 2.71Å
558N57.9Low49.2Very low102 Ų102129.8 Ų129.855%0.54570%0.696SS.*  trans-75.467.4-174.1-171.591.1000111.3F560 G618N558-F560 PolarHBondContact O-N 3.35Å; N558-G618 PolarHBondContact OD1-N 3.01Å
559T51.1Low49Very low107 Ų107132.7 Ų132.766%0.65670%0.699SS**  trans-70.8110.3165.1-520000107.7G557G557-T559 PolarHBondContact O-N 2.71Å
560F57.3Low49.4Very low126 Ų126133.1 Ų133.155%0.55370%0.699SS**  trans-80.2137.3167.966.8-86.8000108.9N558 V562 V615 G617N558-F560 PolarHBondContact O-N 3.35Å; F560-V562 HydrophobicContact CD2-CG2 4.14Å; F560-V562 HydrophobicContact CE2-CG2 4.09Å; F560-V615 HydrophobicContact CB-CG1 3.84Å; F560-V615 HydrophobicContact CD2-CG1 4.09Å; F560-V615 HydrophobicContact CG-CG1 4.34Å; F560-G617 WeakPolarHBondContact CB-O 3.21Å
561T60.6Low49.1Very low75 Ų75137 Ų13746%0.4671%0.707SS.*EExtended strand (participates in β ladder)trans-107.4118.6174.9-52.80000108.8V563 I616T561-V563 HydrophobicContact CG2-CG2 3.92Å; T561-I616 PolarHBondContact N-O 2.7Å; T561-I616 PolarHBondContact O-N 2.95Å
562V70.1Confident49.3Very low65 Ų65138.1 Ų138.139%0.39471%0.707SS.*EExtended strand (participates in β ladder)trans-81.9120.6167.6166.20000108.4F560 I613F560-V562 HydrophobicContact CD2-CG2 4.14Å; F560-V562 HydrophobicContact CE2-CG2 4.09Å; V562-I613 HydrophobicContact CB-CG2 4.44Å; V562-I613 HydrophobicContact CG1-CG1 4.31Å; V562-I613 HydrophobicContact CG1-CG2 3.82Å; V562-I613 HydrophobicContact CG2-CG2 3.94Å
563V66.6Low48.6Very low68 Ų68137.8 Ų137.841%0.41271%0.71SS.*EExtended strand (participates in β ladder)trans-116.9110.4172.7-176.50000108.4T561 K565 Q614 I616T561-V563 HydrophobicContact CG2-CG2 3.92Å; V563-K565 PolarHBondContact O-N 3.35Å; V563-Q614 PolarHBondContact N-O 2.82Å; V563-I616 HydrophobicContact CG2-CD1 4.06Å
564P63.7Low48.8Very low79 Ų79135.6 Ų135.651%0.51371%0.71SS.*EExtended strand (participates in β ladder)trans-61.1124.4173.6-22.834000110.6R566P564-R566 PolarHBondContact O-N 3.04Å
565K59.6Low49.5Very low131 Ų131129.4 Ų129.457%0.5770%0.703SS**  trans-78.4105.8-179.9-61.1-171.7761500110.2V563 S567 E612 Q614V563-K565 PolarHBondContact O-N 3.35Å; K565-S567 PolarHBondContact O-N 3.08Å; K565-E612 PolarHBondContact N-O 3.21Å; K565-Q614 HydrophobicContact CD-CB 4.02Å; K565-Q614 HydrophobicContact CG-CB 4.06Å
566R56.5Low48.5Very low241 Ų241129.7 Ų129.791%0.90971%0.707SS**PPolyproline II helixtrans-70.4120.3162.8-64.9-172.6-66.21740.4108.5P564P564-R566 PolarHBondContact O-N 3.04Å
567S42.7Very low48.2Very low118 Ų118125.5 Ų125.583%0.82570%0.699SS**PPolyproline II helixtrans-63.7133.8164.6400000109.2K565K565-S567 PolarHBondContact O-N 3.08Å
568A37Very low47.5Very low99 Ų99130.9 Ų130.982%0.81871%0.709SS**PPolyproline II helixtrans-82.8119.9166.100000107.9
569E33.2Very low46.3Very low185 Ų185133.1 Ų133.186%0.86472%0.716SS**PPolyproline II helixtrans-74.4122.7175.1-170.6176.4166.100109.4Q571E569-Q571 PolarHBondContact O-N 3.31Å
570P38.3Very low45.3Very low120 Ų120136 Ų13678%0.77972%0.722SS**PPolyproline II helixtrans-77.2119.7-176.729.5-33.1000111.2
571Q31.7Very low44.1Very low199 Ų199134.2 Ų134.293%0.9373%0.731SS**PPolyproline II helixtrans-70.5152.3172.6-73.8-168.8-97.800112.5E569E569-Q571 PolarHBondContact O-N 3.31Å
572K35.4Very low43.5Very low208 Ų208136.4 Ų136.490%0.90475%0.747SS**PPolyproline II helixtrans-66.1153.3-166.7-59.1174.8179.3177.40114.9
573S27.5Very low41.8Very low118 Ų118138 Ų13883%0.82577%0.766SS**  trans-138.5139.6142.1550000110.3
574P46.6Very low40.1Very low118 Ų118144.1 Ų144.177%0.76679%0.791SS**  trans-121.4-176.917042.4-32.5000111.5
575P52.3Low38.7Very low121 Ų121144.3 Ų144.379%0.78680%0.799SS**  cis-126.6167.7-27.337.1-23.5000113.1
576E29.1Very low38Very low191 Ų191143.8 Ų143.889%0.89381%0.809SS**  trans-161.4148.4135.7-150.6149-166.700110.7
577P48.5Very low37.3Very low107 Ų107138.4 Ų138.470%0.69581%0.805SS**  trans-117.2162.4-174.540.7-31.1000114.9
578Q31.1Very low36.6Very low170 Ų170136.3 Ų136.379%0.79480%0.802SS**  trans179.7137.5136.5-101.8164.52.200114.2
579Q33.2Very low36.3Very low149 Ų149137 Ų13770%0.69680%0.801SS**  trans48.9148.8132.2-68.9-178.8-82.900122.3
580E31.6Very low36.6Very low167 Ų167134.6 Ų134.678%0.7880%0.799SS**  cis-161.8-178.7-19.1-152.5160159.500109.1
581A30.7Very low36.4Very low89 Ų89134.3 Ų134.374%0.73680%0.797SS**  trans-108-162.3-177.800000111.2
582P48.6Very low36.7Very low122 Ų122130.7 Ų130.779%0.79279%0.791SS**  cis-141.5-163.9-544.1-24.2000116.1
583A34.9Very low37.2Very low97 Ų97129 Ų12980%0.80279%0.786SS**  trans72.9152.9164.500000118.1
584E30Very low37.5Very low198 Ų198128.1 Ų128.193%0.92578%0.778SS**  cis-127.1-170.89.1-151.6176.8150.700112.4
585A35.1Very low37.4Very low83 Ų83131.4 Ų131.469%0.68678%0.783SS**  trans-139-158.5-163.200000113.3
586P44.7Very low36.8Very low120 Ų120134.2 Ų134.278%0.77978%0.779SS**  -112-159.8-75.940.6-27.2000110.7
587P41.4Very low37.5Very low128 Ų128129.1 Ų129.183%0.83177%0.77SS**  cis-129.1162.8-7.740.7-25.1000116
588G27.2Very low37.6Very low74 Ų74132 Ų13276%0.76377%0.773SS**  trans175.386.2169.500000116.9
589S31.6Very low38.2Very low114 Ų114128.3 Ų128.380%0.79776%0.759SS**  trans43.693.3155.9178.80000119.7
590T38.9Very low38.8Very low133 Ų133123.5 Ų123.582%0.81675%0.749SS**  trans-170.1134.5134.68.40000112.4
591P35Very low39.7Very low115 Ų115118.5 Ų118.575%0.74773%0.732SS**PPolyproline II helixtrans-73.6156.6159.8-15.531.6000111.7
592P38.2Very low40.7Very low122 Ų122120.6 Ų120.679%0.79273%0.731SS**PPolyproline II helixtrans-75.3148.4-170.830.4-36.1000113.8
593Q45.3Very low41Very low174 Ų174122.5 Ų122.581%0.81373%0.733SS**PPolyproline II helixtrans-69.6130.7167.4-87.2-158.3-18.700111.3Q595Q593-Q595 PolarHBondContact O-N 3.17Å
594P33.3Very low41.8Very low99 Ų99125.8 Ų125.864%0.64373%0.729SS**PPolyproline II helixtrans-71.9124.416529.5-32.1000109.8Y596P594-Y596 PolarHBondContact O-N 3.04Å
595Q43.8Very low43.2Very low186 Ų186127 Ų12787%0.86973%0.732SS**THydrogen-bonded Turntrans-69.419.7-176.9-65176.9-28.200114.6Q593Q593-Q595 PolarHBondContact O-N 3.17Å
596Y40.4Very low44.6Very low181 Ų181131.4 Ų131.471%0.7173%0.731SS**THydrogen-bonded Turntrans-100-12.9-178.9-94.7-95.3000114.5P594 Q598 L599P594-Y596 PolarHBondContact O-N 3.04Å; Y596-Q598 PolarHBondContact O-N 3.18Å; Y596-Q598 VanDerWaalsContact O-N 3.13Å; Y596-L599 HydrophobicContact CD1-CD1 3.93Å; Y596-L599 HydrophobicContact CE1-CD1 3.89Å; Y596-L599 PolarHBondContact O-N 3.32Å
597A44.6Very low45.7Very low84 Ų84136.4 Ų136.469%0.69474%0.735SS**G310 helixtrans-57.2-31-179.900000113.1G600A597-G600 PolarHBondContact O-N 3.35Å
598Q50.5Low47.4Very low166 Ų166133.1 Ų133.178%0.77671%0.714SS**G310 helixtrans-80.3-12.9-175.5-144.1165.30.600114.1Y596 S601Y596-Q598 PolarHBondContact O-N 3.18Å; Y596-Q598 VanDerWaalsContact O-N 3.13Å; Q598-S601 PolarHBondContact O-OG 3.46Å
599L43.4Very low49.5Very low94 Ų94131.5 Ų131.549%0.49269%0.694SS.*G310 helixtrans-87.7-18.6173.4-68171000112.6Y596 S601 L602Y596-L599 HydrophobicContact CD1-CD1 3.93Å; Y596-L599 HydrophobicContact CE1-CD1 3.89Å; Y596-L599 PolarHBondContact O-N 3.32Å; L599-S601 PolarHBondContact O-N 3.17Å; L599-L602 HydrophobicContact CD2-CD1 4.25Å; L599-L602 PolarHBondContact O-N 2.94Å
600G45.5Very low51Low47 Ų47131.4 Ų131.449%0.48569%0.688SS.*THydrogen-bonded Turntrans-69.7-14.4-179.200000115.3A597A597-G600 PolarHBondContact O-N 3.35Å
601S49.5Very low52.5Low62 Ų62132.6 Ų132.643%0.43468%0.684SS.*THydrogen-bonded Turntrans-92.4-24.6175.246.70000113.7Q598 L599 L603Q598-S601 PolarHBondContact O-OG 3.46Å; L599-S601 PolarHBondContact O-N 3.17Å; S601-L603 PolarHBondContact O-N 2.69Å
602L52.9Low54.5Low133 Ų133132.2 Ų132.270%0.69667%0.672SS**THydrogen-bonded Turntrans-76.2-17.4-169.8-103.2160.6000115L599L599-L602 HydrophobicContact CD2-CD1 4.25Å; L599-L602 PolarHBondContact O-N 2.94Å
603L54.3Low56Low163 Ų163129 Ų12985%0.85365%0.648SS**THydrogen-bonded Turntrans-131.420.7-166.1-83.7165.7000115.4S601S601-L603 PolarHBondContact O-N 2.69Å
604K51.1Low57.2Low165 Ų165125.2 Ų125.272%0.71763%0.631SS**SBendtrans-131.9138.9172-87.3165.5-179.11680111R606K604-R606 VanDerWaalsContact C-N 3.35Å; K604-R606 PolarHBondContact O-N 3.21Å
605K60.8Low58.9Low224 Ų224124.1 Ų124.197%0.97462%0.622SS**  trans-61.588.8-178.6-67.2-177.4-179.9178.40111
606R63.7Low59.8Low175 Ų175119.7 Ų119.766%0.6660%0.603SS**PPolyproline II helixtrans-102.7142.6169.7-65.2178.9-179.7-162.10.1108.1K604K604-R606 VanDerWaalsContact C-N 3.35Å; K604-R606 PolarHBondContact O-N 3.21Å
607Y69.1Low60.9Low225 Ų225113.1 Ų113.188%0.88259%0.59SS**PPolyproline II helixtrans-67.3141.1170.3-63.3-77.1000109
608P76.5Confident62Low59 Ų59110.9 Ų110.938%0.38358%0.575SS.*PPolyproline II helixtrans-56.9143179.6-25.834.8000112.3E612 I613P608-E612 VanDerWaalsContact CA-OE2 3.25Å; P608-E612 WeakPolarHBondContact CA-OE2 3.43Å; P608-E612 HydrophobicContact CB-CB 4.24Å; P608-I613 HydrophobicContact CB-CD1 4.29Å; P608-I613 HydrophobicContact CB-CG1 4.02Å
609A70.5Confident62.1Low40 Ų40112 Ų11233%0.33157%0.574SS.*PPolyproline II helixtrans-67.8161.1175.100000111.3E611 E612 I613A609-E611 WeakPolarHBondContact CB-OE2 3.5Å; A609-E611 PolarHBondContact O-N 2.89Å; A609-E612 HydrophobicContact CB-CG 4.07Å; A609-E612 PolarHBondContact N-OE2 3.14Å; A609-E612 PolarHBondContact O-N 3.28Å; A609-I613 WeakPolarHBondContact O-CG1 3.39Å; A609-I613 PolarHBondContact O-N 2.95Å
610V62.6Low62.7Low112 Ų112116.4 Ų116.468%0.67960%0.597SS**THydrogen-bonded Turntrans-58.9-31.6179.7150.80000111.6
611E70.4Confident63.2Low159 Ų159116.9 Ų116.974%0.74359%0.593SS**THydrogen-bonded Turntrans-78-22.5-179.1-58.669.8-153.800112.6A609A609-E611 WeakPolarHBondContact CB-OE2 3.5Å; A609-E611 PolarHBondContact O-N 2.89Å
612E77.9Confident63.5Low106 Ų106121.1 Ų121.150%0.49561%0.61SS.*THydrogen-bonded Turntrans-87.4-15.3178.1-62.6173.1159.600112.3K565 P608 A609 Q614K565-E612 PolarHBondContact N-O 3.21Å; P608-E612 VanDerWaalsContact CA-OE2 3.25Å; P608-E612 WeakPolarHBondContact CA-OE2 3.43Å; P608-E612 HydrophobicContact CB-CB 4.24Å; A609-E612 HydrophobicContact CB-CG 4.07Å; A609-E612 PolarHBondContact N-OE2 3.14Å; A609-E612 PolarHBondContact O-N 3.28Å; E612-Q614 PolarHBondContact O-N 2.99Å
613I69.8Low63.8Low56 Ų56119.1 Ų119.129%0.28761%0.612SS.*EExtended strand (participates in β ladder)trans-89.5103.4-176.4-72.4166.3000110.3V562 P608 A609 V615V562-I613 HydrophobicContact CB-CG2 4.44Å; V562-I613 HydrophobicContact CG1-CG1 4.31Å; V562-I613 HydrophobicContact CG1-CG2 3.82Å; V562-I613 HydrophobicContact CG2-CG2 3.94Å; P608-I613 HydrophobicContact CB-CD1 4.29Å; P608-I613 HydrophobicContact CB-CG1 4.02Å; A609-I613 WeakPolarHBondContact O-CG1 3.39Å; A609-I613 PolarHBondContact O-N 2.95Å; I613-V615 HydrophobicContact CG2-CG2 3.88Å; I613-V615 PolarHBondContact O-N 2.7Å
614Q70.9Confident63.8Low94 Ų94118.9 Ų118.944%0.43961%0.605SS.*EExtended strand (participates in β ladder)trans-86.8108.1169.2-171160.9-9.300110.3V563 K565 E612 I616V563-Q614 PolarHBondContact N-O 2.82Å; K565-Q614 HydrophobicContact CD-CB 4.02Å; K565-Q614 HydrophobicContact CG-CB 4.06Å; E612-Q614 PolarHBondContact O-N 2.99Å; Q614-I616 HydrophobicContact CG-CG1 4.31Å
615V68.9Low64.2Low75 Ų75113 Ų11346%0.45558%0.584SS.*EExtended strand (participates in β ladder)trans-82.2115.8176.2-174.20000109.7F560 I613F560-V615 HydrophobicContact CB-CG1 3.84Å; F560-V615 HydrophobicContact CD2-CG1 4.09Å; F560-V615 HydrophobicContact CG-CG1 4.34Å; I613-V615 HydrophobicContact CG2-CG2 3.88Å; I613-V615 PolarHBondContact O-N 2.7Å
616I62.9Low63.8Low93 Ų93108.5 Ų108.548%0.47758%0.58SS.*EExtended strand (participates in β ladder)trans-106.7111.1179.4-55.8179.7000108.9T561 V563 Q614T561-I616 PolarHBondContact N-O 2.7Å; T561-I616 PolarHBondContact O-N 2.95Å; V563-I616 HydrophobicContact CG2-CD1 4.06Å; Q614-I616 HydrophobicContact CG-CG1 4.31Å
617G63Low63.4Low43 Ų43106.6 Ų106.644%0.44358%0.582SS.*SBendtrans94.6134.2-172.800000112.1F560F560-G617 WeakPolarHBondContact CB-O 3.21Å
618G67.4Low62.9Low37 Ų3798.1 Ų98.138%0.38156%0.555SS.*SBendtrans140.4167.9-16600000111.3N558 L620N558-G618 PolarHBondContact OD1-N 3.01Å; G618-L620 PolarHBondContact O-N 2.86Å
619Y53.2Low62.1Low190 Ų190105 Ų10575%0.74558%0.579SS**  trans-61.1128.4175.8-68.1-74.8000110.4S621Y619-S621 PolarHBondContact O-N 2.92Å
620L55.5Low61.2Low186 Ų186109.3 Ų109.397%0.97460%0.602SS**SBendtrans-72.223.8-171.1-149.975.4000114.4G618G618-L620 PolarHBondContact O-N 2.86Å
621S56.9Low60.9Low58 Ų58107.5 Ų107.541%0.40661%0.606SS.*  trans-147.8115.4-177.554.50000110.3Y619 A623 K624Y619-S621 PolarHBondContact O-N 2.92Å; S621-A623 PolarHBondContact O-N 3.04Å; S621-K624 PolarHBondContact O-N 3.17Å; S621-K624 VanDerWaalsContact O-N 3.11Å
622L55.7Low59.8Low151 Ų151105.5 Ų105.579%0.79161%0.609SS**G310 helixtrans-57.9-32.3-177.6-70.5169.1000112.5K624 S625 S628L622-K624 PolarHBondContact O-N 3.02Å; L622-S625 VanDerWaalsContact O-CB 3.25Å; L622-S625 WeakPolarHBondContact O-CB 3.35Å; L622-S625 PolarHBondContact O-N 3.04Å; L622-S628 WeakPolarHBondContact O-CB 3.17Å; L622-S628 PolarHBondContact O-OG 3.37Å
623A59Low58.8Low90 Ų90107.6 Ų107.674%0.74463%0.629SS**G310 helixtrans-65.80177.800000115.4S621S621-A623 PolarHBondContact O-N 3.04Å
624K54.5Low58.2Low159 Ų159107.9 Ų107.969%0.69165%0.645SS**G310 helixtrans-119.411.8169.4-58.2-166.370.564.50113.1S621 L622S621-K624 PolarHBondContact O-N 3.17Å; S621-K624 VanDerWaalsContact O-N 3.11Å; L622-K624 PolarHBondContact O-N 3.02Å
625S59.2Low57.9Low41 Ų41112.8 Ų112.829%0.28767%0.665SS.*SBendtrans-85.7144.8176.5-174.60000111.2L622 L627 S628L622-S625 VanDerWaalsContact O-CB 3.25Å; L622-S625 WeakPolarHBondContact O-CB 3.35Å; L622-S625 PolarHBondContact O-N 3.04Å; S625-L627 PolarHBondContact O-N 3.3Å; S625-L627 VanDerWaalsContact O-N 3.14Å; S625-L627 PolarHBondContact OG-N 3.22Å; S625-S628 PolarHBondContact O-N 2.93Å; S625-S628 PolarHBondContact O-OG 3.29Å
626C52.3Low57.8Low130 Ų130119.3 Ų119.388%0.87869%0.688SS**THydrogen-bonded Turntrans-63.2-13.7167.553.40000113.1
627L54.2Low58Low134 Ų134122 Ų12270%0.70270%0.702SS**THydrogen-bonded Turntrans-83.1-18176.1-56.4177.9000113.6S625 K629S625-L627 PolarHBondContact O-N 3.3Å; S625-L627 VanDerWaalsContact O-N 3.14Å; S625-L627 PolarHBondContact OG-N 3.22Å; L627-K629 VanDerWaalsContact C-N 3.27Å; L627-K629 PolarHBondContact O-N 2.97Å
628S58.5Low58.4Low47 Ų47129.3 Ų129.333%0.32972%0.722SS.*  trans-78.177.9176.8630000110.5L622 S625 T630L622-S628 WeakPolarHBondContact O-CB 3.17Å; L622-S628 PolarHBondContact O-OG 3.37Å; S625-S628 PolarHBondContact O-N 2.93Å; S625-S628 PolarHBondContact O-OG 3.29Å; S628-T630 PolarHBondContact O-N 3.4Å
629K60.5Low58.4Low204 Ų204133.6 Ų133.689%0.88774%0.735SS**  trans-77.157.5-171.9-163.1175.8-179.3175.70113.4L627 G631L627-K629 VanDerWaalsContact C-N 3.27Å; L627-K629 PolarHBondContact O-N 2.97Å; K629-G631 PolarHBondContact O-N 2.78Å
630T52.6Low59.1Low131 Ų131129.4 Ų129.480%0.80473%0.733SS**  trans-83.599.8174.350.30000111.6S628S628-T630 PolarHBondContact O-N 3.4Å
631G54.8Low59.7Low74 Ų74128.2 Ų128.276%0.76372%0.72SS**  trans75.579.5148.800000118.5K629K629-G631 PolarHBondContact O-N 2.78Å
632S48.5Very low60.2Low117 Ų117130.5 Ų130.582%0.81873%0.728SS**  trans-134.5115.4139.964.30000110G634S632-G634 PolarHBondContact O-N 2.89Å; S632-G634 VanDerWaalsContact O-N 3.13Å
633V57.2Low60.8Low149 Ų149130.4 Ų130.490%0.90372%0.723SS**  trans-81.594.1179-179.70000108.1K635V633-K635 PolarHBondContact O-N 2.9Å
634G56.1Low61Low62 Ų62130.5 Ų130.564%0.63972%0.719SS**  trans-60.1128.6177.100000111.6S632 K636S632-G634 PolarHBondContact O-N 2.89Å; S632-G634 VanDerWaalsContact O-N 3.13Å; G634-K636 PolarHBondContact O-N 2.72Å
635K65.4Low61.4Low197 Ų197127.3 Ų127.386%0.85772%0.716SS**  trans-61.9120.4175.4-62178-178.1178.70109V633 L637V633-K635 PolarHBondContact O-N 2.9Å; K635-L637 PolarHBondContact O-N 3.37Å; K635-L637 VanDerWaalsContact O-N 3.09Å
636K66.6Low61.4Low212 Ų212130.9 Ų130.992%0.92273%0.732SS**  trans-69103.5175-74.8-172.8174.6-176.30110G634G634-K636 PolarHBondContact O-N 2.72Å
637L66.1Low61.6Low149 Ų149131.1 Ų131.178%0.7872%0.72SS**  trans-71.2130.2155.7-89.272.4000107.9K635K635-L637 PolarHBondContact O-N 3.37Å; K635-L637 VanDerWaalsContact O-N 3.09Å
638K71.9Confident61.9Low197 Ų197130.2 Ų130.286%0.85773%0.725SS**  trans-103.793.4172.4-176.6-175.9176.1-173.30107.7
639I66.8Low62.1Low128 Ų128134 Ų13466%0.65675%0.746SS**  trans-81.6132.7170.4-56.7174.5000107.2F641I639-F641 HydrophobicContact CG2-CE1 4.47Å; I639-F641 HydrophobicContact CG2-CE2 3.91Å; I639-F641 HydrophobicContact CG2-CZ 3.88Å
640S69.6Low61.5Low101 Ų101132.5 Ų132.571%0.70674%0.736SS**  trans-130.7124.917552.20000109
641F67.2Low61.9Low162 Ų162134.4 Ų134.471%0.71174%0.736SS**  trans-87.1149.6174.7-61.5-84.5000109.8I639 E643I639-F641 HydrophobicContact CG2-CE1 4.47Å; I639-F641 HydrophobicContact CG2-CE2 3.91Å; I639-F641 HydrophobicContact CG2-CZ 3.88Å; F641-E643 PolarHBondContact O-N 3.26Å
642N67.3Low61.8Low105 Ų105139.6 Ų139.656%0.56173%0.734SS**  trans-78110.8170.4175.331.3000108.9S644 S645N642-S644 PolarHBondContact ND2-OG 3.38Å; N642-S644 PolarHBondContact O-N 3.11Å; N642-S644 PolarHBondContact OD1-N 3.44Å; N642-S644 PolarHBondContact OD1-OG 2.89Å; N642-S644 VanDerWaalsContact OD1-OG 3.11Å; N642-S645 WeakPolarHBondContact O-CB 3.37Å; N642-S645 PolarHBondContact O-N 2.89Å
643E68Low62.1Low149 Ų149139.2 Ų139.270%0.69673%0.728SS**G310 helixtrans-63.1-26.6-175.6-65-169.814000112.9F641 S645 L646 Q647F641-E643 PolarHBondContact O-N 3.26Å; E643-S645 PolarHBondContact O-N 2.8Å; E643-S645 VanDerWaalsContact O-N 3.17Å; E643-L646 WeakPolarHBondContact O-CB 3.46Å; E643-L646 PolarHBondContact O-N 2.87Å; E643-Q647 VanDerWaalsContact O-CD 3.26Å; E643-Q647 PolarHBondContact O-NE2 2.85Å; E643-Q647 PolarHBondContact O-OE1 3.36Å
644S64.5Low61.8Low92 Ų92137.4 Ų137.464%0.64372%0.722SS**G310 helixtrans-70.8-4.6175.167.10000114.6N642N642-S644 PolarHBondContact ND2-OG 3.38Å; N642-S644 PolarHBondContact O-N 3.11Å; N642-S644 PolarHBondContact OD1-N 3.44Å; N642-S644 PolarHBondContact OD1-OG 2.89Å; N642-S644 VanDerWaalsContact OD1-OG 3.11Å
645S61.3Low61.6Low92 Ų92144 Ų14464%0.64374%0.737SS**G310 helixtrans-91.8-0170-168.80000113.1N642 E643N642-S645 WeakPolarHBondContact O-CB 3.37Å; N642-S645 PolarHBondContact O-N 2.89Å; E643-S645 PolarHBondContact O-N 2.8Å; E643-S645 VanDerWaalsContact O-N 3.17Å
646L61.1Low60.7Low116 Ų116139.6 Ų139.661%0.60773%0.731SS**SBendtrans-110-12.3-171-61.3177.3000114.3E643 S648E643-L646 WeakPolarHBondContact O-CB 3.46Å; E643-L646 PolarHBondContact O-N 2.87Å; L646-S648 PolarHBondContact O-N 2.82Å
647Q54.9Low59.8Low136 Ų136135.1 Ų135.164%0.63673%0.726SS**  trans-83.651.8174.7-58.977.228.900112.6E643E643-Q647 VanDerWaalsContact O-CD 3.26Å; E643-Q647 PolarHBondContact O-NE2 2.85Å; E643-Q647 PolarHBondContact O-OE1 3.36Å
648S62.1Low59Low114 Ų114133.6 Ų133.680%0.79772%0.722SS**  trans-95.283.4161.5-168.10000108.6L646L646-S648 PolarHBondContact O-N 2.82Å
649T61.7Low57.4Low127 Ų127135.9 Ų135.978%0.77973%0.726SS**  trans-87.4111178-52.10000109.2
650Y48.8Very low56.2Low172 Ų172137 Ų13768%0.67573%0.733SS**  trans-94.2110.9170.2-172-92.2000109.6Y652Y650-Y652 AromaticContact CD1-CD2 3.65Å; Y650-Y652 HydrophobicContact CD1-CD2 3.65Å; Y650-Y652 AromaticContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CG 4.32Å; Y650-Y652 HydrophobicContact CE1-CD1 4.1Å; Y650-Y652 AromaticContact CE1-CD2 3.72Å; Y650-Y652 HydrophobicContact CE1-CD2 3.72Å; Y650-Y652 AromaticContact CE1-CE1 3.95Å; Y650-Y652 HydrophobicContact CE1-CE1 3.95Å; Y650-Y652 AromaticContact CE1-CE2 3.56Å; Y650-Y652 HydrophobicContact CE1-CE2 3.56Å; Y650-Y652 AromaticContact CE1-CG 4Å; Y650-Y652 HydrophobicContact CE1-CG 4Å; Y650-Y652 AromaticContact CE1-CZ 3.68Å
651E60.2Low54.8Low172 Ų172137.9 Ų137.980%0.80474%0.739SS**PPolyproline II helixtrans-92.7122.6178-171.9167.9-168.800109.8
652Y53.2Low53.3Low183 Ų183133.8 Ų133.872%0.71874%0.743SS**PPolyproline II helixtrans-84.6138.9178.9-90.6-90000111.2Y650Y650-Y652 AromaticContact CD1-CD2 3.65Å; Y650-Y652 HydrophobicContact CD1-CD2 3.65Å; Y650-Y652 AromaticContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CG 4.32Å; Y650-Y652 HydrophobicContact CE1-CD1 4.1Å; Y650-Y652 AromaticContact CE1-CD2 3.72Å; Y650-Y652 HydrophobicContact CE1-CD2 3.72Å; Y650-Y652 AromaticContact CE1-CE1 3.95Å; Y650-Y652 HydrophobicContact CE1-CE1 3.95Å; Y650-Y652 AromaticContact CE1-CE2 3.56Å; Y650-Y652 HydrophobicContact CE1-CE2 3.56Å; Y650-Y652 AromaticContact CE1-CG 4Å; Y650-Y652 HydrophobicContact CE1-CG 4Å; Y650-Y652 AromaticContact CE1-CZ 3.68Å
653P53.3Low51.8Low108 Ų108137 Ų13770%0.70176%0.755SS**PPolyproline II helixtrans-62.8140.2171.7-21.333.3000112.8
654S51.3Low50.4Low112 Ų112138.4 Ų138.478%0.78376%0.761SS**PPolyproline II helixtrans-70.2125.6-174.9-52.70000114S656S654-S656 VanDerWaalsContact C-N 3.26Å; S654-S656 PolarHBondContact O-N 3.08Å
655E53.3Low49.2Very low201 Ų201141.5 Ų141.594%0.93977%0.771SS**  trans-81.331.4-173.2-56.2-174110.100115.3
656S45.3Very low48.4Very low104 Ų104146 Ų14673%0.72778%0.781SS**  trans-122.170.5-165.864.70000114.7S654S654-S656 VanDerWaalsContact C-N 3.26Å; S654-S656 PolarHBondContact O-N 3.08Å
657S47.6Very low47.3Very low118 Ų118148.4 Ų148.483%0.82580%0.795SS**SBendtrans-160.8-0.9170.5-165.40000117.1
658V49.5Very low46.4Very low116 Ų116146.9 Ų146.970%0.70379%0.791SS**SBendtrans-95.6-7-160.8174.40000114.9
659W39.6Very low45.3Very low246 Ų246150.6 Ų150.693%0.93279%0.793SS**SBendtrans-132.866-170.4-56.3101.7000112.9
660D40Very low44.2Very low150 Ų150152.9 Ų152.980%0.80279%0.787SS**  trans-153.6151163.8-1642.3000109.5
661S41.3Very low43.5Very low120 Ų120151.4 Ų151.484%0.83979%0.791SS**  trans63130.4-168.5-52.50000115.6
662G35.6Very low42.1Very low77 Ų77146.6 Ų146.679%0.79479%0.788SS**  cis-165.5168-3.600000112.1
663E35.5Very low41.2Very low173 Ų173144.8 Ų144.881%0.80880%0.796SS**  trans-107.2174.2-177.261.1-139.9138.500112.4
664E37.7Very low40.6Very low177 Ų177145.6 Ų145.683%0.82780%0.801SS**  trans69.2151.4176.6-62.1163.8-17700113.9
665D40.4Very low39.9Very low158 Ų158145 Ų14585%0.84580%0.803SS**  cis-130.5171.918.9-90.2-55.9000114
666E45Very low39.2Very low185 Ų185143.5 Ų143.586%0.86480%0.802SS**  trans-85157.3165.3-59.9179.893.200111.8
667D36.7Very low38.8Very low168 Ų168147.9 Ų147.990%0.89881%0.81SS**  174.2166.4116-122.1-33.4000117.3
668D37.1Very low38.3Very low104 Ų104151.1 Ų151.156%0.55681%0.813SS**  trans-67.6132.9-169.6-164.5-28.7000118.4
669K38.4Very low37.9Very low192 Ų192151.3 Ų151.384%0.83582%0.816SS**  -160.4168.5129.6-12872.7176.7-1730114.1
670R38.9Very low37.9Very low174 Ų174145.3 Ų145.366%0.65781%0.812SS**  trans-127.6171.2-159.3-69.3179.4-87.9108.9-11.4115.6
671D33Very low37.6Very low142 Ų142146.4 Ų146.476%0.75981%0.814SS**  trans81.8122.8155.5-53.9-52000117.5
672G32.6Very low37.8Very low71 Ų71147.4 Ų147.473%0.73282%0.815SS**  trans-173.8-26.1-177.900000124.3
673T34Very low37.9Very low145 Ų145146.3 Ų146.389%0.8980%0.803SS**  trans75.6140.7-176.1-38.60000115.7
674P39.2Very low38.1Very low124 Ų124148.2 Ų148.281%0.80580%0.803SS**  trans-94.8154.6-175.436.5-36.2000115.6
675A36.5Very low38.1Very low100 Ų100149 Ų14983%0.82680%0.804SS**  trans-144.7153.4161.400000109.5E677A675-E677 PolarHBondContact O-N 2.81Å
676D38.5Very low37.9Very low170 Ų170148.6 Ų148.691%0.90980%0.797SS**  trans-76.7113.6-171.1-63.9-75.7000114.3
677E38.4Very low37.9Very low195 Ų195147 Ų14791%0.91179%0.793SS**  trans-138.6151.1155-74.7-155.1115.900111.1A675A675-E677 PolarHBondContact O-N 2.81Å
678Q37.3Very low37.7Very low187 Ų187144.7 Ų144.787%0.87479%0.787SS**  trans-90.9141.7-175.7-66.6-159.1-13.300113S680Q678-S680 PolarHBondContact O-N 3.36Å
679P39.4Very low37.8Very low120 Ų120151 Ų15178%0.77980%0.803SS**  trans-73.392.7178.230-34.9000112M681P679-M681 PolarHBondContact O-N 2.69Å
680S40.7Very low37.6Very low119 Ų119147.6 Ų147.683%0.83280%0.801SS**  trans-73.898.4167.2-173.90000110.3Q678Q678-S680 PolarHBondContact O-N 3.36Å
681M34.1Very low37.2Very low173 Ų173142.8 Ų142.885%0.85281%0.806SS**  trans-13284.9-178.3-80.5-73.6-78.400111.3P679P679-M681 PolarHBondContact O-N 2.69Å
682V44.6Very low37.4Very low141 Ų141144.1 Ų144.186%0.85581%0.812SS**  trans-128133.3165.7178.80000108.5R684V682-R684 PolarHBondContact O-N 3.11Å
683G38.2Very low37.5Very low54 Ų54147.4 Ų147.456%0.55782%0.817SS**  trans-56.6128.6-16900000114.2F685G683-F685 VanDerWaalsContact O-CD2 3.27Å; G683-F685 WeakPolarHBondContact O-CD2 3.14Å; G683-F685 PolarHBondContact O-N 2.76Å; G683-F685 VanDerWaalsContact O-N 3.08Å
684R39.7Very low37.7Very low214 Ų214143.8 Ų143.881%0.80881%0.809SS**  trans-81.683.2-178.5-164.7179.1-15917910.6111V682 H686V682-R684 PolarHBondContact O-N 3.11Å; R684-H686 WeakPolarHBondContact CD-NE2 3.02Å; R684-H686 PolarHBondContact O-CD2 3.49Å; R684-H686 VanDerWaalsContact O-CD2 3.31Å; R684-H686 PolarHBondContact O-N 3.24Å
685F36.6Very low37.3Very low193 Ų193143.3 Ų143.385%0.84681%0.809SS**  trans-63.6105.7175.1-65.8-81.1000111.1G683G683-F685 VanDerWaalsContact O-CD2 3.27Å; G683-F685 WeakPolarHBondContact O-CD2 3.14Å; G683-F685 PolarHBondContact O-N 2.76Å; G683-F685 VanDerWaalsContact O-N 3.08Å
686H37Very low37.5Very low150 Ų150144 Ų14469%0.69480%0.804SS**  trans-85.4111.5176.6-86.7-96.2000111R684R684-H686 WeakPolarHBondContact CD-NE2 3.02Å; R684-H686 PolarHBondContact O-CD2 3.49Å; R684-H686 VanDerWaalsContact O-CD2 3.31Å; R684-H686 PolarHBondContact O-N 3.24Å
687I44.3Very low37.5Very low150 Ų150141.5 Ų141.577%0.76980%0.795SS**PPolyproline II helixtrans-85.7121.3169.6-57.1173.9000108.4R689I687-R689 PolarHBondContact O-N 3.01Å
688P34Very low37.2Very low121 Ų121140.4 Ų140.479%0.78679%0.79SS**PPolyproline II helixtrans-69.5123.8177.328.1-33.2000110.5
689R38.3Very low37Very low235 Ų235135.8 Ų135.889%0.88778%0.778SS**PPolyproline II helixtrans-83.9131.9173.2-69.1-178174.2-174.9-2.9109.9I687 G691I687-R689 PolarHBondContact O-N 3.01Å; R689-G691 PolarHBondContact O-N 2.98Å
690P35.1Very low36.7Very low121 Ų121137.9 Ų137.979%0.78678%0.778SS**PPolyproline II helixtrans-67.7124.2169.628.3-32.8000109.8
691G30.1Very low36.4Very low74 Ų74139.4 Ų139.476%0.76378%0.776SS**PPolyproline II helixtrans-89.1124.3176.600000111.7R689R689-G691 PolarHBondContact O-N 2.98Å
692L36.7Very low36.5Very low169 Ų169134.9 Ų134.989%0.88577%0.774SS**PPolyproline II helixtrans-85136.3165.3-85.476.3000109.9
693V35.4Very low36.2Very low140 Ų140135.2 Ų135.285%0.84877%0.771SS**PPolyproline II helixtrans-77.9134.2179176.90000110.3
694G37.8Very low36.6Very low69 Ų69138.6 Ų138.671%0.71178%0.776SS**PPolyproline II helixtrans-92.7138.817300000112.9
695S30.1Very low36.8Very low115 Ų115136.4 Ų136.480%0.80478%0.78SS**  trans-162.6162171.7-93.80000111.1
696P41.8Very low37.2Very low113 Ų113132.8 Ų132.873%0.73478%0.779SS**  trans-112.3160.9-132.16.316.1000117.5
697V38.2Very low37.8Very low119 Ų119131.1 Ų131.172%0.72178%0.784SS**  trans16114.9148-156.40000118
698H32.6Very low37.8Very low172 Ų172133.9 Ų133.980%0.79679%0.786SS**  -177144.5108.3-106.8-78.2000115.9
699S31.1Very low38.7Very low90 Ų90134.6 Ų134.663%0.62978%0.782SS**  trans66.5103.9147.5-57.50000122.7
700E33.4Very low39.2Very low164 Ų164126.9 Ų126.977%0.76676%0.762SS**  86.9132.2124.3-72-167.6-158.500124
701N35.3Very low40Very low151 Ų151130.4 Ų130.481%0.80777%0.765SS**  trans74.298.6152.2-55.9-32000119.8
702G36.6Very low41.2Very low78 Ų78135.3 Ų135.380%0.80477%0.767SS**  trans169.779.1166.800000116.2
703N37.5Very low41.9Very low148 Ų148131.3 Ų131.379%0.79175%0.754SS**  trans-62.7158.1165-83.248.2000111.1
704D47.7Very low42.8Very low125 Ų125129.3 Ų129.367%0.66874%0.742SS**  cis-153.6-170.411.4-137.9-50.2000111.9
705L44Very low43.6Very low167 Ų167132 Ų13287%0.87474%0.74SS**  trans82.756.4171.5-51.6-178.2000117.5
706S43.4Very low44.4Very low118 Ų118135.5 Ų135.583%0.82574%0.741SS**  trans-135.694.3157.2-177.40000111.5
707S49.6Very low44.9Very low114 Ų114136.5 Ų136.580%0.79774%0.74SS**  trans-173.558.4167.343.80000114.3
708Y45.1Very low45.6Very low209 Ų209134.3 Ų134.382%0.8273%0.727SS**  trans-114.492158.7-166.5-96.2000111P710Y708-P710 HydrophobicContact CD1-CG 4.26Å; Y708-P710 HydrophobicContact CE1-CB 4.43Å; Y708-P710 HydrophobicContact CE1-CG 4.01Å
709I52.7Low46.2Very low136 Ų136136.6 Ų136.670%0.69773%0.729SS**  trans-95.8115.2169.8-60.2174000107.2K711I709-K711 PolarHBondContact O-N 3.1Å; I709-K711 VanDerWaalsContact O-N 3.14Å
710P49.3Very low47.1Very low72 Ų72139.9 Ų139.947%0.46873%0.734SS.*  trans-63.7113.9176.4-19.731.9000110.4Y708 H712 S713Y708-P710 HydrophobicContact CD1-CG 4.26Å; Y708-P710 HydrophobicContact CE1-CB 4.43Å; Y708-P710 HydrophobicContact CE1-CG 4.01Å; P710-H712 PolarHBondContact O-N 2.76Å; P710-S713 PolarHBondContact O-N 2.99Å; P710-S713 PolarHBondContact O-OG 3.27Å
711K50.6Low47.6Very low195 Ų195139.1 Ų139.185%0.84873%0.731SS**THydrogen-bonded Turntrans-68.817.7-173.2-71.3-157.4172.5-167.80116.2I709I709-K711 PolarHBondContact O-N 3.1Å; I709-K711 VanDerWaalsContact O-N 3.14Å
712H55.8Low47.9Very low177 Ų177138.7 Ų138.782%0.81973%0.728SS**THydrogen-bonded Turntrans-13617.3-179.7-61.7-54.8000113.9P710 V714P710-H712 PolarHBondContact O-N 2.76Å; H712-V714 PolarHBondContact O-N 3.07Å; H712-V714 VanDerWaalsContact O-N 3.1Å
713S51.7Low48.3Very low86 Ų86143.9 Ų143.960%0.60173%0.729SS**  trans-72.496.6162.555.60000109.5P710P710-S713 PolarHBondContact O-N 2.99Å; P710-S713 PolarHBondContact O-OG 3.27Å
714V54.1Low48.8Very low98 Ų98144.1 Ų144.159%0.59473%0.725SS**  trans-81.3124.6172.8176.10000108.8H712 F716 T718H712-V714 PolarHBondContact O-N 3.07Å; H712-V714 VanDerWaalsContact O-N 3.1Å; V714-F716 PolarHBondContact O-N 3.48Å; V714-T718 WeakPolarHBondContact CG1-OG1 3.3Å
715D54.6Low48.4Very low125 Ų125146 Ų14667%0.66873%0.73SS**  trans-64.7133.7-179.1-70.8-56.7000112.1N717 T718D715-N717 PolarHBondContact O-N 3.33Å; D715-T718 PolarHBondContact O-N 2.9Å; D715-T718 PolarHBondContact O-OG1 3.22Å
716F46.5Very low48Very low189 Ų189145.7 Ų145.783%0.82973%0.729SS**THydrogen-bonded Turntrans-60.7-19-166.1-159.5-98.5000114.8V714V714-F716 PolarHBondContact O-N 3.48Å
717N52.4Low47.8Very low133 Ų133149 Ų14971%0.71173%0.729SS**THydrogen-bonded Turntrans-76.5-26.5177.2-71.2-9.1000113.6D715 W719 Q720D715-N717 PolarHBondContact O-N 3.33Å; N717-W719 PolarHBondContact O-N 3.14Å; N717-W719 VanDerWaalsContact O-N 3.11Å; N717-Q720 PolarHBondContact O-N 2.8Å
718T52.7Low47Very low73 Ų73149.7 Ų149.745%0.44873%0.727SS.*Hα-helixtrans-68.7-11.9-174.8580000114.2V714 D715V714-T718 WeakPolarHBondContact CG1-OG1 3.3Å; D715-T718 PolarHBondContact O-N 2.9Å; D715-T718 PolarHBondContact O-OG1 3.22Å
719W45.6Very low46.5Very low220 Ų220150.3 Ų150.383%0.83373%0.73SS**Hα-helixtrans-87.1-5.1177.1-89.681.7000115.2N717N717-W719 PolarHBondContact O-N 3.14Å; N717-W719 VanDerWaalsContact O-N 3.11Å
720Q49.6Very low45.4Very low160 Ų160151.6 Ų151.675%0.74873%0.733SS**Hα-helixtrans-100-36.5172.8-68-161.136.100113.7N717N717-Q720 PolarHBondContact O-N 2.8Å
721E44.4Very low44.8Very low148 Ų148154 Ų15469%0.69274%0.738SS**Hα-helixtrans-74.8-30-169.2-165.1158.6-137.400113.5K723 Q724E721-K723 PolarHBondContact O-N 3.08Å; E721-Q724 PolarHBondContact O-N 3.11Å
722N41.8Very low43.9Very low142 Ų142152.3 Ų152.376%0.75973%0.733SS**THydrogen-bonded Turntrans-73.124.8-178.3-154.921.6000114.6
723K44.8Very low43.5Very low187 Ų187148.3 Ų148.381%0.81372%0.723SS**THydrogen-bonded Turntrans-110.1-4.6174.3-139.6179.9-174.8-1780112.8E721E721-K723 PolarHBondContact O-N 3.08Å
724Q47.6Very low42.3Very low153 Ų153150.7 Ų150.772%0.71573%0.734SS**SBendtrans-109.1-27.8-171.8-107.666.76.900114.8E721E721-Q724 PolarHBondContact O-N 3.11Å
725E41.1Very low41.2Very low165 Ų165151.4 Ų151.477%0.77174%0.743SS**  trans-108.20.4-163-60.6-153.913300117K727E725-K727 PolarHBondContact O-N 3.17Å
726D35.5Very low40.8Very low160 Ų160150.8 Ų150.886%0.85675%0.746SS**  trans-76.366.5179.3-165.813.8000113
727K38.7Very low40.2Very low188 Ų188150.2 Ų150.282%0.81775%0.746SS**  trans-151.386.5171.3-75.2-174.4179.4173.80110.5E725E725-K727 PolarHBondContact O-N 3.17Å
728V32.6Very low39.6Very low127 Ų127149.8 Ų149.877%0.7775%0.748SS**  trans-175.3107.6145.9140.10000112.7
729Y33.8Very low38.7Very low223 Ų223153.7 Ų153.788%0.87577%0.772SS**  trans67.1150.4147.9-73.4-96.5000125.1
730Q30.9Very low38.2Very low163 Ų163152 Ų15276%0.76277%0.773SS**  trans-98.4-168.9169.4-62-177.6-7900109.7
731E36.8Very low37.6Very low121 Ų121152.7 Ų152.757%0.56578%0.777SS**  cis-173.8137.137.2-168.8160.8-148.800112.8G82G82-E731 WeakPolarHBondContact CA-OE1 3.46Å
732E31.2Very low37.5Very low160 Ų160152.1 Ų152.175%0.74878%0.783SS**  trans29.1-171.5137-106.5-132.411800123.3
733P47.3Very low37.4Very low94 Ų94153.6 Ų153.661%0.6179%0.787SS**  cis-131.7176.9-1127.5-4.7000117.3
734T27.2Very low37.1Very low136 Ų136152.7 Ų152.783%0.83479%0.791SS**  172.8126.7128.127.90000113.8
735S30.3Very low36.8Very low112 Ų112151.7 Ų151.778%0.78380%0.795SS**  trans-166.2134.9173-1770000116.8
736P46.3Very low37.3Very low113 Ų113149.1 Ų149.173%0.73479%0.793SS**  trans-130.4-173.9150.743.9-32.3000111
737Q34.3Very low37.4Very low177 Ų177145.9 Ų145.983%0.82779%0.788SS**  cis-148.8-148.14.4-150.8169.5-26.900110.9
738V38.3Very low37.2Very low123 Ų123144.9 Ų144.975%0.74579%0.791SS**  trans-149.4161.2-169.6-61.80000114.2
739T34.9Very low37.6Very low156 Ų156143.9 Ų143.996%0.95779%0.79SS**  trans-163.2178.2149.415.20000112.8
740E35.9Very low37.6Very low184 Ų184139.1 Ų139.186%0.8679%0.789SS**  trans-128.5-173.9-157.1-171.5170.4-171.100113.1
741E36.6Very low38.1Very low175 Ų175136.5 Ų136.582%0.81879%0.789SS**  trans100160.2158.4-58.1-165.5-178.900122.1
742V41.4Very low38.5Very low136 Ų136138.3 Ų138.382%0.82480%0.802SS**  trans82.5106.3165-164.50000119.1
743M39.7Very low39Very low172 Ų172135.5 Ų135.585%0.84780%0.8SS**  trans-63.9158.4170-52.4-134.7-60.900114.1
744L37.9Very low38.8Very low169 Ų169137.7 Ų137.789%0.88581%0.807SS**  -167.9137.3126.7-105.2174.5000113.4
745T41.3Very low39.4Very low131 Ų131141 Ų14180%0.80481%0.805SS**  trans-163.8158.4166.6-3.20000105.7
746P53.2Low39.8Very low112 Ų112140.4 Ų140.473%0.72780%0.801SS**  cis-132.8-169.92.743.5-27.3000114.5
747A36.4Very low39.7Very low91 Ų91140.2 Ų140.275%0.75280%0.802SS**  trans71.7135.5151.700000119.8
748D34.8Very low40.4Very low167 Ų167139.6 Ų139.689%0.89380%0.8SS**  -146.7155.9122.7-138.6-25.1000109.7
749S40.7Very low41.4Very low107 Ų107140 Ų14075%0.74881%0.805SS**  trans-148.690.4-169.763.80000114.7
750S33.8Very low42Very low122 Ų122135.5 Ų135.585%0.85378%0.783SS**  trans-168.6119161.2-173.60000112.6
751S41.5Very low42.6Very low109 Ų109135 Ų13576%0.76279%0.785SS**  175.4117.5118.5-160.50000110.5
752L46.5Very low42.9Very low159 Ų159135.6 Ų135.683%0.83278%0.782SS**  trans-90.4178.8155.4-78.8161.8000108.6
753S41.3Very low43Very low101 Ų101141.5 Ų141.571%0.70680%0.797SS**  trans66.5148172.318.50000114.9
754D41.6Very low43.1Very low139 Ų139140 Ų14074%0.74379%0.794SS**  cis-153.9179.35-109.6-29.8000111.8
755Y39.7Very low43.4Very low205 Ų205138.5 Ų138.580%0.80479%0.79SS**  trans71.3121.8179.2-63.8-95.2000114.3
756S39.8Very low43.5Very low101 Ų101138.9 Ų138.971%0.70679%0.789SS**  cis64.4141.144.798.10000112.7
757S44.3Very low43Very low108 Ų108140.5 Ų140.576%0.75579%0.792SS**  cis-147-166.617.359.30000112.4
758E48.2Very low43.4Very low164 Ų164143.6 Ų143.677%0.76680%0.795SS**  trans-56.3164.5166-55.4-178.8150.900112.7
759P58.9Low44Very low133 Ų133142 Ų14286%0.86479%0.788SS**  -123.4124.7122.534.2-30.7000112.8
760A48.2Very low44.2Very low60 Ų60144.5 Ų144.550%0.49679%0.791SS.*  trans-88.2136.2168.600000111.8
761L49Very low45Very low173 Ų173146.2 Ų146.291%0.90679%0.786SS**  trans-135.4103153.9-68177000104.1
762Y41.9Very low45.3Very low188 Ų188149.3 Ų149.374%0.73779%0.788SS**  cis72.479.838-122.2-87.2000112.8
763F43.8Very low45.2Very low261 Ų261148.5 Ų148.5100%1.14578%0.784SS**  trans52.90164-63.2-81000119

Retrieved 763 of 763 residues in 241.4 ms (Link to these results)