A0A061AD43_CAEEL Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AD43, Species CAEEL (Caenorhabditis elegans), Gene lin-3, Length 421 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M55.9Low66.7Low152 Ų152122.9 Ų122.975%0.74959%0.587SS**  0-740-53-153.8-5100112.5K3 M4 L5M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.95Å; M1-K3 VanDerWaalsContact O-N 3.08Å; M1-M4 WeakPolarHBondContact O-CA 3.49Å; M1-M4 WeakPolarHBondContact O-CB 3.26Å; M1-M4 PolarHBondContact O-N 2.87Å; M1-L5 PolarHBondContact O-N 3.36Å
2R62.3Low66Low217 Ų217125 Ų12582%0.81960%0.602SS**Hα-helixtrans-48.6-42.2-173.9-162176-174.1179.41.9115.2L6R2-L6 HydrophobicContact CG-CD1 4.45Å; R2-L6 WeakPolarHBondContact O-CB 3.32Å; R2-L6 WeakPolarHBondContact O-CG 3.45Å; R2-L6 PolarHBondContact O-N 3.06Å
3K63.9Low65.3Low188 Ų188128 Ų12882%0.81761%0.611SS**Hα-helixtrans-67.6-37.3175-69.3-167.8175.8-172.20114.5M1 F7M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.95Å; M1-K3 VanDerWaalsContact O-N 3.08Å; K3-F7 WeakPolarHBondContact O-CB 3.4Å; K3-F7 PolarHBondContact O-N 3.15Å
4M62.9Low64.3Low134 Ų134126 Ų12666%0.6660%0.603SS**Hα-helixtrans-68.1-43.2174.6-89-70-173.500111.3M1 L6 F7 C8M1-M4 WeakPolarHBondContact O-CA 3.49Å; M1-M4 WeakPolarHBondContact O-CB 3.26Å; M1-M4 PolarHBondContact O-N 2.87Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.08Å; M4-F7 WeakPolarHBondContact O-CB 3.47Å; M4-F7 PolarHBondContact O-N 3.35Å; M4-F7 VanDerWaalsContact O-N 3.11Å; M4-C8 PolarHBondContact O-N 3.48Å; M4-C8 PolarHBondContact O-SG 3.44Å; M4-C8 VanDerWaalsContact O-SG 3.35Å
5L70Confident63.1Low113 Ų113122.2 Ų122.259%0.59259%0.593SS**Hα-helixtrans-66.1-37.1177.9-171.6135.3000111.6M1 I9M1-L5 PolarHBondContact O-N 3.36Å; L5-I9 HydrophobicContact CD2-CD1 3.63Å; L5-I9 HydrophobicContact CG-CD1 4.35Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.5Å; L5-I9 PolarHBondContact O-N 3.13Å
6L73.1Confident62.1Low96 Ų96124.1 Ų124.150%0.50360%0.6SS.*Hα-helixtrans-62.5-39.1168.8-85.3163.9000112.9R2 M4 I9 L10R2-L6 HydrophobicContact CG-CD1 4.45Å; R2-L6 WeakPolarHBondContact O-CB 3.32Å; R2-L6 WeakPolarHBondContact O-CG 3.45Å; R2-L6 PolarHBondContact O-N 3.06Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.08Å; L6-I9 PolarHBondContact O-N 2.87Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.94Å
7F74.4Confident61.2Low124 Ų124127.4 Ų127.454%0.54461%0.611SS.*Hα-helixtrans-66.2-44.2177.2-172.3-105.7000112K3 M4 I9 L10 L11K3-F7 WeakPolarHBondContact O-CB 3.4Å; K3-F7 PolarHBondContact O-N 3.15Å; M4-F7 WeakPolarHBondContact O-CB 3.47Å; M4-F7 PolarHBondContact O-N 3.35Å; M4-F7 VanDerWaalsContact O-N 3.11Å; F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.82Å; F7-L10 PolarHBondContact O-N 3.32Å; F7-L11 HydrophobicContact CD1-CD1 4Å; F7-L11 HydrophobicContact CE1-CD1 3.68Å; F7-L11 HydrophobicContact CE1-CG 4.4Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.41Å; F7-L11 PolarHBondContact O-N 3.33Å
8C64.9Low60.3Low41 Ų41126.2 Ų126.228%0.27761%0.613SS.*Hα-helixtrans-62.2-38.9173.8-60.70000112.5M4 L11 L12M4-C8 PolarHBondContact O-N 3.48Å; M4-C8 PolarHBondContact O-SG 3.44Å; M4-C8 VanDerWaalsContact O-SG 3.35Å; C8-L11 PolarHBondContact O-N 2.89Å; C8-L12 WeakPolarHBondContact O-CG 3.4Å; C8-L12 PolarHBondContact O-N 3.11Å
9I74.1Confident59.4Low76 Ų76128 Ų12839%0.3962%0.621SS.*Hα-helixtrans-67.4-40.7174.8-69.3169.3000110.9L5 L6 F7 L11 L12 F13L5-I9 HydrophobicContact CD2-CD1 3.63Å; L5-I9 HydrophobicContact CG-CD1 4.35Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.5Å; L5-I9 PolarHBondContact O-N 3.13Å; L6-I9 PolarHBondContact O-N 2.87Å; F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.82Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.34Å; I9-L12 CarbonylContact O-C 3.58Å; I9-L12 PolarHBondContact O-N 3Å; I9-L12 VanDerWaalsContact O-N 3.12Å; I9-F13 HydrophobicContact CG2-CD2 3.84Å; I9-F13 HydrophobicContact CG2-CE2 4.24Å; I9-F13 WeakPolarHBondContact O-CB 3.24Å; I9-F13 WeakPolarHBondContact O-CD2 3.19Å; I9-F13 PolarHBondContact O-N 3Å
10L69.4Low58.4Low98 Ų98126.9 Ų126.951%0.51363%0.627SS.*Hα-helixtrans-60.8-39.2175.7-103.8161.9000112.5L6 F7 L12 F13 M14L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.94Å; F7-L10 PolarHBondContact O-N 3.32Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.07Å; L10-F13 CarbonylContact O-C 3.54Å; L10-F13 PolarHBondContact O-N 3.41Å; L10-M14 HydrophobicContact CD2-CE 4.34Å; L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.45Å
11L63.1Low57.8Low113 Ų113126.1 Ų126.159%0.59263%0.632SS**Hα-helixtrans-66.2-32.1174.4-70.4172.4000112.8F7 C8 I9 F13F7-L11 HydrophobicContact CD1-CD1 4Å; F7-L11 HydrophobicContact CE1-CD1 3.68Å; F7-L11 HydrophobicContact CE1-CG 4.4Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.41Å; F7-L11 PolarHBondContact O-N 3.33Å; C8-L11 PolarHBondContact O-N 2.89Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.34Å; L11-F13 VanDerWaalsContact C-N 3.34Å
12L58.1Low57.1Low148 Ų148125.9 Ų125.978%0.77563%0.633SS**Hα-helixtrans-78.2-15.5173.7-68.7168.5000113.6C8 I9 L10C8-L12 WeakPolarHBondContact O-CG 3.4Å; C8-L12 PolarHBondContact O-N 3.11Å; I9-L12 CarbonylContact O-C 3.58Å; I9-L12 PolarHBondContact O-N 3Å; I9-L12 VanDerWaalsContact O-N 3.12Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.07Å
13F56.2Low56.2Low164 Ų164119.1 Ų119.172%0.71962%0.617SS**THydrogen-bonded Turntrans-11119-178.7-90-88.6000113.6I9 L10 L11 P15I9-F13 HydrophobicContact CG2-CD2 3.84Å; I9-F13 HydrophobicContact CG2-CE2 4.24Å; I9-F13 WeakPolarHBondContact O-CB 3.24Å; I9-F13 WeakPolarHBondContact O-CD2 3.19Å; I9-F13 PolarHBondContact O-N 3Å; L10-F13 CarbonylContact O-C 3.54Å; L10-F13 PolarHBondContact O-N 3.41Å; L11-F13 VanDerWaalsContact C-N 3.34Å; F13-P15 WeakPolarHBondContact O-CD 3.5Å
14M51.7Low55.2Low100 Ų100115.2 Ų115.249%0.49361%0.614SS.*  trans-90.9100.8170.2-83.5-73.5165.900110.4L10 Q16L10-M14 HydrophobicContact CD2-CE 4.34Å; L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.45Å; M14-Q16 PolarHBondContact O-N 3.19Å
15P46.5Very low54.8Low69 Ų69117.6 Ų117.645%0.44862%0.616SS.*G310 helixtrans-74-9.7-175.832.4-37.7000113.5F13 F17 T18F13-P15 WeakPolarHBondContact O-CD 3.5Å; P15-F17 PolarHBondContact O-N 2.95Å; P15-T18 PolarHBondContact O-N 3.18Å; P15-T18 PolarHBondContact O-OG1 3.46Å
16Q47.2Very low53.6Low153 Ų153119.9 Ų119.972%0.71562%0.621SS**G310 helixtrans-63.3-5.9-173-60.3-78.5-69.400114.5M14M14-Q16 PolarHBondContact O-N 3.19Å
17F46.1Very low52.1Low179 Ų179125.8 Ų125.879%0.78564%0.637SS**G310 helixtrans-117.6-3-179.8-69.9-75.2000114.6P15P15-F17 PolarHBondContact O-N 2.95Å
18T46.5Very low50.2Low106 Ų106128.3 Ų128.365%0.6565%0.65SS**THydrogen-bonded Turntrans-103.3-16.4-172.8440000115.2P15P15-T18 PolarHBondContact O-N 3.18Å; P15-T18 PolarHBondContact O-OG1 3.46Å
19E42Very low48.9Very low161 Ų161134.2 Ų134.275%0.75267%0.674SS**SBendtrans-97.2-11.4-170.3-60.8-171.7147.200114.6
20S40.4Very low47.3Very low106 Ų106142.7 Ų142.774%0.74170%0.701SS**SBendtrans-89.40.7-172.1-49.70000115.7
21C45Very low45.5Very low110 Ų110143.5 Ų143.574%0.74372%0.715SS**  trans-121.520.4-166.3-66.60000115
22L41.1Very low44Very low147 Ų147142.5 Ų142.577%0.7772%0.723SS**  trans-90.9117.9169.6-70.4176.1000110.3
23P43.6Very low42.9Very low75 Ų75141.7 Ų141.749%0.48773%0.726SS.*  trans-68.7148.4-179.229.2-35.6000111.9W25 F26P23-W25 PolarHBondContact O-N 3.36Å; P23-W25 VanDerWaalsContact O-N 3.09Å; P23-F26 PolarHBondContact O-N 3.2Å
24S43.7Very low41.7Very low106 Ų106143.3 Ų143.374%0.74174%0.736SS**G310 helixtrans-61.5-23.2-167.351.50000115.7F26 R27S24-F26 PolarHBondContact O-N 2.74Å; S24-F26 VanDerWaalsContact O-N 3.15Å; S24-R27 PolarHBondContact O-N 3.49Å; S24-R27 VanDerWaalsContact O-N 3.16Å
25W54.5Low40.8Very low185 Ų185147.7 Ų147.770%0.70176%0.755SS**G310 helixtrans-62.9-20.9-177.969.4-97.3000113.9P23 R27 Q28P23-W25 PolarHBondContact O-N 3.36Å; P23-W25 VanDerWaalsContact O-N 3.09Å; W25-R27 PolarHBondContact O-N 2.94Å; W25-R27 VanDerWaalsContact O-N 3.14Å; W25-Q28 PolarHBondContact O-N 3.36Å
26F43.7Very low40.3Very low160 Ų160152 Ų15270%0.70277%0.774SS**G310 helixtrans-72.40.8176.7-131-87.5000114.3P23 S24P23-F26 PolarHBondContact O-N 3.2Å; S24-F26 PolarHBondContact O-N 2.74Å; S24-F26 VanDerWaalsContact O-N 3.15Å
27R41.1Very low39.4Very low221 Ų221153.7 Ų153.783%0.83478%0.782SS**G310 helixtrans-102.6-3177.8-70.9-172.7175.8-120.31.6114.9S24 W25 E29S24-R27 PolarHBondContact O-N 3.49Å; S24-R27 VanDerWaalsContact O-N 3.16Å; W25-R27 PolarHBondContact O-N 2.94Å; W25-R27 VanDerWaalsContact O-N 3.14Å; R27-E29 PolarHBondContact O-N 2.9Å
28Q34.8Very low38.6Very low176 Ų176150.8 Ų150.882%0.82278%0.784SS**  trans-82.4111.2178.7-150.868.624.200110.5W25W25-Q28 PolarHBondContact O-N 3.36Å
29E37.4Very low37.7Very low166 Ų166149.8 Ų149.878%0.77679%0.786SS**  trans-62.5135.5179.2-62.9-177.4128.300110.9R27 S31R27-E29 PolarHBondContact O-N 2.9Å; E29-S31 PolarHBondContact O-N 3.14Å
30R40.5Very low37.1Very low253 Ų253150.4 Ų150.496%0.95579%0.789SS**  37.170.496.6-79.1-170.8172.8-176.6-1.2114.6
31S33.1Very low36.6Very low116 Ų116152.8 Ų152.881%0.81179%0.793SS**  trans-121.8141.9150.450.20000109.9E29E29-S31 PolarHBondContact O-N 3.14Å
32A30.4Very low35.8Very low92 Ų92152.9 Ų152.976%0.7680%0.802SS**PPolyproline II helixtrans-88.3159.1178.200000110.4
33P36Very low35.3Very low130 Ų130150.7 Ų150.784%0.84481%0.805SS**PPolyproline II helixtrans-76.9127.3-17930.4-34000112
34E30.8Very low34.6Very low198 Ų198155.7 Ų155.793%0.92582%0.822SS**PPolyproline II helixtrans-92.5168159.8-86-166.8117.700111.7
35Q31.9Very low34Very low193 Ų193157.8 Ų157.890%0.90282%0.824SS**PPolyproline II helixtrans-97.6164.5-159.1-65.5-178.2-7.700114.9
36L36Very low32.7Very low159 Ų159154.8 Ų154.883%0.83283%0.832SS**  trans-42.5124.3170.6-67.3152.3000115.1
37Q29Very low31.9Very low189 Ų189150.8 Ų150.888%0.88384%0.836SS**  -174.2123.1129.9-97.8146.891.200107.5
38S28.1Very low31.4Very low118 Ų118145.8 Ų145.883%0.82584%0.835SS**  90.9155.656.2-1630000112.4
39A29.2Very low31.3Very low84 Ų84144 Ų14469%0.69484%0.836SS**  trans67.5121.2-159.700000113.8
40E28.4Very low32.2Very low175 Ų175141.3 Ų141.382%0.81883%0.833SS**  cis83.1116.337.8-166.4-178159.200112.8
41N29.8Very low32.2Very low156 Ų156134.9 Ų134.983%0.83482%0.824SS**  trans142.282.3157.4-81.4-62.7000112.8
42A29.2Very low32.2Very low112 Ų112136.2 Ų136.293%0.92682%0.822SS**  trans-164.772.2161.700000110.5
43A30.4Very low32.1Very low100 Ų100138 Ų13883%0.82682%0.823SS**  trans-122.9118.4175.400000110.2
44E29.6Very low31.8Very low181 Ų181136.4 Ų136.485%0.84682%0.815SS**  trans-157.2122.6161.5-128.8173.6-145.800110.2
45N29.7Very low31.8Very low149 Ų149137.6 Ų137.680%0.79781%0.811SS**  trans37.2134159.6-65.1-36.1000121
46S28.1Very low31.7Very low122 Ų122135.1 Ų135.185%0.85380%0.804SS**  cis-145.6160.324-59.90000112.4
47G26.7Very low31.5Very low76 Ų76132.6 Ų132.678%0.78480%0.8SS**  trans-156.6158.7167.200000112.7
48S31.5Very low31.8Very low117 Ų117131.7 Ų131.782%0.81880%0.8SS**  trans-169.1124.4170.655.50000112.5
49V31.4Very low32.1Very low139 Ų139134.9 Ų134.984%0.84280%0.802SS**  trans-159.9145.3172.1-179.40000107.1
50P55.9Low32.4Very low109 Ų109137.3 Ų137.371%0.70881%0.808SS**  cis-111.9-149-27.438.4-19.6000109.4
51P41Very low32.8Very low118 Ų118137 Ų13777%0.76681%0.812SS**  -137-177.553.538.6-18.1000115.6
52D33.9Very low33Very low144 Ų144138.4 Ų138.477%0.7781%0.814SS**  trans-72.9166.3-175.7-46.4-95.6000115.7
53T27.8Very low33.3Very low128 Ų128139.7 Ų139.779%0.78580%0.804SS**  168.7133114.1-66.30000114.2
54S30.1Very low33.3Very low97 Ų97138.5 Ų138.568%0.67880%0.801SS**  trans75.6124.5151.868.70000124.8
55R31.2Very low33.4Very low224 Ų224137.3 Ų137.385%0.84580%0.8SS**  77.8116.6125.3-75.1179.1170.6163.2-2.9123.5
56N29.6Very low33.7Very low141 Ų141134.6 Ų134.675%0.75480%0.798SS**  88156.7126.2-72.326.8000121.9
57S31.7Very low34.3Very low106 Ų106135.1 Ų135.174%0.74180%0.799SS**  trans62.497.9167.2370000118
58L34.5Very low34.6Very low170 Ų170137.2 Ų137.289%0.8980%0.801SS**  trans-66.4140.5133.4-101.169.3000108.2
59E35.4Very low34.5Very low184 Ų184136.7 Ų136.786%0.8680%0.798SS**  trans-111.1140.3158.3-71.8-173.713200109
60T34.2Very low34.3Very low135 Ų135136.2 Ų136.283%0.82880%0.796SS**PPolyproline II helixtrans-92.8129.8-17947.10000110.7
61N37.3Very low33.1Very low170 Ų170136.6 Ų136.691%0.90980%0.801SS**PPolyproline II helixtrans-78.4155.9175.5-78-49.8000112.8
62E34.3Very low32.5Very low185 Ų185137.5 Ų137.586%0.86480%0.804SS**PPolyproline II helixtrans-97.9171.5-162.3-154.9175.1153.100114.8
63I34.9Very low33.1Very low139 Ų139135.8 Ų135.871%0.71380%0.801SS**PPolyproline II helixtrans-61.8158.9-168.2-67.1147.7000115.7
64G31.3Very low33.3Very low74 Ų74139 Ų13976%0.76381%0.807SS**  trans-139.5129.6156.300000111.5
65D32.3Very low33.5Very low157 Ų157140.4 Ų140.484%0.8481%0.812SS**PPolyproline II helixtrans-83.3165.9-165.9-69.4-64000116.9
66A34.4Very low33.9Very low91 Ų91134.9 Ų134.975%0.75281%0.805SS**PPolyproline II helixtrans-100.8149.6170.600000112.8
67P40.9Very low33.9Very low133 Ų133133.8 Ų133.886%0.86480%0.804SS**PPolyproline II helixtrans-83.8160.4179.834.5-35.9000113.7
68S32.5Very low34Very low120 Ų120137 Ų13784%0.83981%0.807SS**  trans-135.3147-177-175.90000113.2
69S29.6Very low33.8Very low106 Ų106134.4 Ų134.474%0.74180%0.798SS**  trans-160.3109.7168.259.70000110.6
70T28.8Very low33.6Very low130 Ų130131.2 Ų131.280%0.79879%0.792SS**  90.2102.875.7-62.70000114.4
71S29Very low34Very low117 Ų117132 Ų13282%0.81879%0.789SS**  trans-176.5168130.1440000110.6
72T29.4Very low34.1Very low137 Ų137128 Ų12884%0.8478%0.775SS**  trans-137.9-168.9-155.4-13.90000112.4
73P47.3Very low34.7Very low107 Ų107128.8 Ų128.870%0.69578%0.778SS**  -118.4177.1-127.943.9-28.7000115.7
74E31.1Very low35.2Very low195 Ų195125.6 Ų125.691%0.91177%0.772SS**  trans-135.7155.6155.8-68.3-165.7158.500111.5
75T33.2Very low36Very low127 Ų127124.7 Ų124.778%0.77976%0.763SS**  trans-136156.2172.6-33.80000107.4
76P40.6Very low37.2Very low109 Ų109123.9 Ų123.971%0.70876%0.759SS**  -153.4165109.938.6-21.4000117.4
77T30.3Very low38.2Very low118 Ų118125.2 Ų125.272%0.72475%0.753SS**  trans69.2112.7146.239.50000123
78E32.1Very low39.1Very low174 Ų174125.7 Ų125.781%0.81374%0.744SS**  86.1111.2120.6-83.8-168.9153.900124.4
79T30.9Very low40.6Very low115 Ų115126.4 Ų126.471%0.70673%0.732SS**  89130.5129.1-40.10000121
80T30.5Very low42.3Very low117 Ų117129.5 Ų129.572%0.71873%0.728SS**  trans108110152.2-26.80000117.7
81I44Very low44.2Very low152 Ų152127.9 Ų127.978%0.77972%0.717SS**  trans-8.1137.2137.2-8.6178.1000113.7
82S39.6Very low46.3Very low86 Ų86129 Ų12960%0.60171%0.71SS**  cis-164.2168.545-53.90000114.7A84S82-A84 PolarHBondContact O-N 3.23Å
83E46.9Very low48.4Very low200 Ų200129.1 Ų129.194%0.93570%0.701SS**  trans18.191145.4-62.2173.7145.200117.6
84A44.9Very low49.8Very low72 Ų72127.4 Ų127.460%0.59569%0.688SS**  trans-146.8-3.2171.100000115.3S82S82-A84 PolarHBondContact O-N 3.23Å
85G48.2Very low51.8Low56 Ų56120.2 Ų120.258%0.57766%0.662SS**Hα-helixtrans-86.3-21.9-16400000117.7
86D56.3Low53.9Low139 Ų139120.9 Ų120.974%0.74366%0.655SS**Hα-helixtrans-87-35.7-177.6-79.8-46.6000112.9R90D86-R90 VanDerWaalsContact O-CB 3.31Å; D86-R90 WeakPolarHBondContact O-CB 3.45Å; D86-R90 PolarHBondContact O-N 2.84Å
87D55.4Low55.6Low119 Ų119120.6 Ų120.664%0.63664%0.644SS**Hα-helixtrans-71.5-40.1179.9-75-46.5000112.3R90 T91D87-R90 PolarHBondContact O-N 2.9Å; D87-T91 PolarHBondContact O-N 3.38Å; D87-T91 PolarHBondContact O-OG1 2.68Å
88E60.9Low57.8Low143 Ų143120.1 Ų120.167%0.66864%0.636SS**Hα-helixtrans-59.1-50.3176.8-175.3169.6-142.500110.8R90 T91 E92E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.21Å; E88-T91 WeakPolarHBondContact CA-OG1 3.4Å; E88-T91 PolarHBondContact O-N 3.44Å; E88-T91 VanDerWaalsContact O-N 3.13Å; E88-T91 PolarHBondContact O-OG1 3.16Å; E88-E92 PolarHBondContact O-N 2.96Å
89K63.8Low60.1Low135 Ų135117.1 Ų117.159%0.58762%0.624SS**Hα-helixtrans-59.9-37.9175.4-171.5-176.6178.3-168.90112.8E92 E93K89-E92 PolarHBondContact O-N 2.99Å; K89-E93 PolarHBondContact O-N 3.13Å
90R64.8Low62.3Low172 Ų172117.7 Ų117.765%0.64962%0.619SS**Hα-helixtrans-69.6-34.8176.5-170.1178-175.4-176.51.9112.3D86 D87 E88 V94D86-R90 VanDerWaalsContact O-CB 3.31Å; D86-R90 WeakPolarHBondContact O-CB 3.45Å; D86-R90 PolarHBondContact O-N 2.84Å; D87-R90 PolarHBondContact O-N 2.9Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.21Å; R90-V94 WeakPolarHBondContact O-CG2 3.3Å; R90-V94 PolarHBondContact O-N 3.02Å; R90-V94 VanDerWaalsContact O-N 3.1Å
91T68.1Low64.4Low95 Ų95117.1 Ų117.158%0.58361%0.607SS**Hα-helixtrans-70-34.2172.251.50000112.5D87 E88 A95D87-T91 PolarHBondContact O-N 3.38Å; D87-T91 PolarHBondContact O-OG1 2.68Å; E88-T91 WeakPolarHBondContact CA-OG1 3.4Å; E88-T91 PolarHBondContact O-N 3.44Å; E88-T91 VanDerWaalsContact O-N 3.13Å; E88-T91 PolarHBondContact O-OG1 3.16Å; T91-A95 VanDerWaalsContact O-CB 3.25Å; T91-A95 WeakPolarHBondContact O-CB 3.39Å; T91-A95 PolarHBondContact O-N 3.13Å
92E73.8Confident65.7Low141 Ų141115.9 Ų115.966%0.65960%0.598SS**Hα-helixtrans-65.7-42.5173.2-171.2178.8-152.900111.7E88 K89 A95 K96E88-E92 PolarHBondContact O-N 2.96Å; K89-E92 PolarHBondContact O-N 2.99Å; E92-A95 PolarHBondContact O-N 3Å; E92-K96 WeakPolarHBondContact O-CB 3.19Å; E92-K96 PolarHBondContact O-N 2.83Å
93E73.3Confident67.2Low139 Ų139114.7 Ų114.765%0.6559%0.593SS**Hα-helixtrans-64.4-42.5176.8-167164.7-130.500112.2K89 K96 E97K89-E93 PolarHBondContact O-N 3.13Å; E93-K96 PolarHBondContact O-N 2.03Å; E93-E97 PolarHBondContact O-N 3.01Å
94V76.8Confident68.6Low71 Ų71111.8 Ų111.843%0.4358%0.579SS.*Hα-helixtrans-69-38.2174.4171.20000112.2R90 K96 E97 L98R90-V94 WeakPolarHBondContact O-CG2 3.3Å; R90-V94 PolarHBondContact O-N 3.02Å; R90-V94 VanDerWaalsContact O-N 3.1Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.88Å; V94-E97 PolarHBondContact O-N 2.8Å; V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 WeakPolarHBondContact O-CG 3.26Å; V94-L98 PolarHBondContact O-N 2.72Å
95A74.1Confident69.5Low45 Ų45115.1 Ų115.137%0.37258%0.578SS.*Hα-helixtrans-62.8-38.1174.300000111.3T91 E92 L98 I99T91-A95 VanDerWaalsContact O-CB 3.25Å; T91-A95 WeakPolarHBondContact O-CB 3.39Å; T91-A95 PolarHBondContact O-N 3.13Å; E92-A95 PolarHBondContact O-N 3Å; A95-L98 PolarHBondContact O-N 3.2Å; A95-I99 WeakPolarHBondContact O-CD1 3.44Å; A95-I99 VanDerWaalsContact O-CG1 3.29Å; A95-I99 WeakPolarHBondContact O-CG1 2.97Å; A95-I99 PolarHBondContact O-N 3.29Å
96K76.1Confident70.3Confident141 Ų141118.9 Ų118.961%0.61358%0.58SS**Hα-helixtrans-67.1-43.4174.6-168.5-175.8174.1-165.30112.4E92 E93 V94 L98 I99 E100E92-K96 WeakPolarHBondContact O-CB 3.19Å; E92-K96 PolarHBondContact O-N 2.83Å; E93-K96 PolarHBondContact O-N 2.03Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.88Å; K96-L98 VanDerWaalsContact C-N 3.26Å; K96-L98 PolarHBondContact O-N 2.89Å; K96-I99 PolarHBondContact O-N 2.92Å; K96-E100 WeakPolarHBondContact O-CB 3.15Å; K96-E100 PolarHBondContact O-N 2.72Å
97E77.8Confident70.7Confident102 Ų102113.7 Ų113.748%0.47756%0.56SS.*Hα-helixtrans-61.1-35.3175.3-165.3-165.7145.800112E93 V94 K101E93-E97 PolarHBondContact O-N 3.01Å; V94-E97 PolarHBondContact O-N 2.8Å; E97-K101 HydrophobicContact CG-CD 4.49Å; E97-K101 WeakPolarHBondContact O-CB 2.93Å; E97-K101 WeakPolarHBondContact O-CG 3.36Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 VanDerWaalsContact O-N 3.16Å; E97-K101 IonicContact OE1-NZ 2.59Å; E97-K101 PolarHBondContact OE1-NZ 3.2Å
98L75.3Confident71.3Confident109 Ų109113.8 Ų113.857%0.57156%0.556SS**Hα-helixtrans-67.4-46.5174.1-76.3164.3000112V94 A95 K96 E100 K101 E102V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 WeakPolarHBondContact O-CG 3.26Å; V94-L98 PolarHBondContact O-N 2.72Å; A95-L98 PolarHBondContact O-N 3.2Å; K96-L98 VanDerWaalsContact C-N 3.26Å; K96-L98 PolarHBondContact O-N 2.89Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 2.84Å; L98-K101 PolarHBondContact O-N 3.2Å; L98-E102 WeakPolarHBondContact O-CB 3.5Å; L98-E102 PolarHBondContact O-N 3.48Å
99I80.2Confident71.4Confident110 Ų110113.8 Ų113.856%0.56455%0.551SS**Hα-helixtrans-64.3-38.4177.7-68.3162.6000111.4A95 K96 K101 E102 A103A95-I99 WeakPolarHBondContact O-CD1 3.44Å; A95-I99 VanDerWaalsContact O-CG1 3.29Å; A95-I99 WeakPolarHBondContact O-CG1 2.97Å; A95-I99 PolarHBondContact O-N 3.29Å; K96-I99 PolarHBondContact O-N 2.92Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.32Å; I99-E102 PolarHBondContact O-N 3.07Å; I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 2.81Å
100E77.9Confident71.6Confident128 Ų128114.2 Ų114.260%0.59856%0.555SS**Hα-helixtrans-64.9-37.8177.4-167.3162.6178.200111.4K96 L98 E104K96-E100 WeakPolarHBondContact O-CB 3.15Å; K96-E100 PolarHBondContact O-N 2.72Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 2.84Å; E100-E104 WeakPolarHBondContact O-CB 3.44Å; E100-E104 PolarHBondContact O-N 3.01Å
101K74.6Confident71.6Confident105 Ų105111.5 Ų111.546%0.45755%0.554SS.*Hα-helixtrans-75.9-32.7173.9-76.1170.9175.4170.80114.3E97 L98 I99 E104 Y105E97-K101 HydrophobicContact CG-CD 4.49Å; E97-K101 WeakPolarHBondContact O-CB 2.93Å; E97-K101 WeakPolarHBondContact O-CG 3.36Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 VanDerWaalsContact O-N 3.16Å; E97-K101 IonicContact OE1-NZ 2.59Å; E97-K101 PolarHBondContact OE1-NZ 3.2Å; L98-K101 PolarHBondContact O-N 3.2Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.32Å; K101-E104 PolarHBondContact O-N 3.45Å; K101-Y105 WeakPolarHBondContact O-CB 3.43Å; K101-Y105 PolarHBondContact O-N 2.74Å
102E70.1Confident71.6Confident126 Ų126113.1 Ų113.159%0.58955%0.554SS**Hα-helixtrans-65-43.2173.7-167.6163.1-148.200109.7L98 I99 Y105 E106L98-E102 WeakPolarHBondContact O-CB 3.5Å; L98-E102 PolarHBondContact O-N 3.48Å; I99-E102 PolarHBondContact O-N 3.07Å; E102-Y105 PolarHBondContact O-N 2.03Å; E102-E106 WeakPolarHBondContact O-CG 3.05Å; E102-E106 PolarHBondContact O-N 3.47Å
103A72Confident71.4Confident60 Ų60111.8 Ų111.850%0.49655%0.546SS..Hα-helixtrans-67.9-35.7173.500000114I99 Y105 G107I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 2.81Å; A103-Y105 VanDerWaalsContact C-N 3.34Å; A103-G107 PolarHBondContact O-N 2.84Å
104E76.4Confident71.1Confident140 Ų140108.8 Ų108.865%0.65454%0.538SS*.Hα-helixtrans-61.9-42.4172.1-173.5174.4-149.700111E100 K101 G107 E108E100-E104 WeakPolarHBondContact O-CB 3.44Å; E100-E104 PolarHBondContact O-N 3.01Å; K101-E104 PolarHBondContact O-N 3.45Å; E104-G107 PolarHBondContact O-N 3.34Å; E104-E108 PolarHBondContact O-N 3.38Å; E104-E108 VanDerWaalsContact O-N 3.09Å
105Y63.4Low70.7Confident142 Ų142110.8 Ų110.856%0.55755%0.546SS*.Hα-helixtrans-77.3-33.3-178.5-156.5-100000113.6K101 E102 A103 G107 Y109K101-Y105 WeakPolarHBondContact O-CB 3.43Å; K101-Y105 PolarHBondContact O-N 2.74Å; E102-Y105 PolarHBondContact O-N 2.03Å; A103-Y105 VanDerWaalsContact C-N 3.34Å; Y105-G107 VanDerWaalsContact C-N 3.35Å; Y105-Y109 HydrophobicContact CD1-CD2 4.19Å; Y105-Y109 HydrophobicContact CD1-CE2 4.3Å; Y105-Y109 AromaticContact CE1-CD2 3.96Å; Y105-Y109 HydrophobicContact CE1-CD2 3.96Å; Y105-Y109 AromaticContact CE1-CE2 3.61Å; Y105-Y109 HydrophobicContact CE1-CE2 3.61Å; Y105-Y109 AromaticContact CZ-CE2 3.97Å; Y105-Y109 PolarHBondContact O-N 2.69Å
106E66.2Low70.5Confident134 Ų134115.7 Ų115.763%0.62656%0.561SS**Hα-helixtrans-65.3-39168.2-75.1-169.7145.300111.2E102 Y109 E110E102-E106 WeakPolarHBondContact O-CG 3.05Å; E102-E106 PolarHBondContact O-N 3.47Å; E106-Y109 PolarHBondContact O-N 2.86Å; E106-E110 PolarHBondContact O-N 3.18Å
107G64.7Low70Confident31 Ų31114.2 Ų114.232%0.3256%0.557SS.*Hα-helixtrans-61.6-47.7175.600000113.4A103 E104 Y105 Y109 E110 D111A103-G107 PolarHBondContact O-N 2.84Å; E104-G107 PolarHBondContact O-N 3.34Å; Y105-G107 VanDerWaalsContact C-N 3.35Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.9Å; G107-E110 PolarHBondContact O-N 2.99Å; G107-D111 PolarHBondContact O-N 2.92Å
108E66Low69.8Low121 Ų121112.7 Ų112.757%0.56555%0.554SS**Hα-helixtrans-59.8-37176.5-167.5170.2-143.900111.6E104 E112E104-E108 PolarHBondContact O-N 3.38Å; E104-E108 VanDerWaalsContact O-N 3.09Å; E108-E112 PolarHBondContact O-N 3.42Å; E108-E112 VanDerWaalsContact O-N 3.1Å
109Y64.9Low69.5Low143 Ų143114.4 Ų114.456%0.56156%0.559SS**Hα-helixtrans-72-33.9174.9-101.8-97.1000114.5Y105 E106 G107 K113Y105-Y109 HydrophobicContact CD1-CD2 4.19Å; Y105-Y109 HydrophobicContact CD1-CE2 4.3Å; Y105-Y109 AromaticContact CE1-CD2 3.96Å; Y105-Y109 HydrophobicContact CE1-CD2 3.96Å; Y105-Y109 AromaticContact CE1-CE2 3.61Å; Y105-Y109 HydrophobicContact CE1-CE2 3.61Å; Y105-Y109 AromaticContact CZ-CE2 3.97Å; Y105-Y109 PolarHBondContact O-N 2.69Å; E106-Y109 PolarHBondContact O-N 2.86Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.9Å; Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.03Å; Y109-K113 PolarHBondContact O-N 3.14Å
110E67Low69Low144 Ų144116.2 Ų116.267%0.67357%0.565SS**Hα-helixtrans-73.2-38.9173.9-71.3-154144.500111.5E106 G107 K113 V114E106-E110 PolarHBondContact O-N 3.18Å; G107-E110 PolarHBondContact O-N 2.99Å; E110-K113 PolarHBondContact O-N 3.46Å; E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 3.22Å
111D65.4Low68.3Low115 Ų115112.6 Ų112.662%0.61556%0.557SS**Hα-helixtrans-65.3-48.6177.4-81.3-18.2000112G107 K113 V114 D115G107-D111 PolarHBondContact O-N 2.92Å; D111-K113 PolarHBondContact O-N 3.18Å; D111-V114 PolarHBondContact O-N 3.07Å; D111-V114 VanDerWaalsContact O-N 3.17Å; D111-D115 PolarHBondContact O-N 3.13Å
112E66.6Low67.9Low128 Ų128113 Ų11360%0.59856%0.563SS**Hα-helixtrans-56.2-41175-79.1-163.4149.900111.6E108 D115 E116E108-E112 PolarHBondContact O-N 3.42Å; E108-E112 VanDerWaalsContact O-N 3.1Å; E112-D115 PolarHBondContact O-N 3.35Å; E112-E116 PolarHBondContact O-N 3.29Å
113K69.5Low67.9Low113 Ų113113.5 Ų113.549%0.49156%0.563SS.*Hα-helixtrans-70.7-33.6-179.8-178.6179.7168-61.50112.8Y109 E110 D111 E117Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.03Å; Y109-K113 PolarHBondContact O-N 3.14Å; E110-K113 PolarHBondContact O-N 3.46Å; D111-K113 PolarHBondContact O-N 3.18Å; K113-E117 IonicContact NZ-OE1 2.62Å; K113-E117 PolarHBondContact NZ-OE1 2.95Å; K113-E117 WeakPolarHBondContact O-CG 3.43Å; K113-E117 PolarHBondContact O-N 3.06Å; K113-E117 VanDerWaalsContact O-N 3.07Å
114V67.4Low67.2Low77 Ų77118.8 Ų118.847%0.46757%0.572SS.*Hα-helixtrans-68.4-40.9173.9166.60000110.6E110 D111 E117 V118E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 3.22Å; D111-V114 PolarHBondContact O-N 3.07Å; D111-V114 VanDerWaalsContact O-N 3.17Å; V114-E117 PolarHBondContact O-N 2.03Å; V114-V118 HydrophobicContact CG1-CG2 4.42Å; V114-V118 WeakPolarHBondContact O-CB 3.5Å; V114-V118 VanDerWaalsContact O-CG2 3.27Å; V114-V118 WeakPolarHBondContact O-CG2 3.43Å; V114-V118 PolarHBondContact O-N 3.17Å
115D69.8Low66.5Low112 Ų112116.6 Ų116.660%0.59957%0.565SS**Hα-helixtrans-65.6-40.3175.9-86.9-9.6000112D111 E112 V118 E119D111-D115 PolarHBondContact O-N 3.13Å; E112-D115 PolarHBondContact O-N 3.35Å; D115-V118 PolarHBondContact O-N 2.92Å; D115-E119 PolarHBondContact O-N 2.4Å
116E68.2Low66.3Low149 Ų149116.3 Ų116.370%0.69657%0.569SS**Hα-helixtrans-61.3-44.8171.9-76.2-160.1151.200112.6E112 V118 E119 E120E112-E116 PolarHBondContact O-N 3.29Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 3.14Å; E116-E119 PolarHBondContact O-N 2.97Å; E116-E120 PolarHBondContact O-N 3.49Å
117E67.3Low65.8Low110 Ų110114.6 Ų114.651%0.51456%0.563SS.*Hα-helixtrans-64.5-33.3176.7-78-176.9-158.700112.3K113 V114 A121K113-E117 IonicContact NZ-OE1 2.62Å; K113-E117 PolarHBondContact NZ-OE1 2.95Å; K113-E117 WeakPolarHBondContact O-CG 3.43Å; K113-E117 PolarHBondContact O-N 3.06Å; K113-E117 VanDerWaalsContact O-N 3.07Å; V114-E117 PolarHBondContact O-N 2.03Å; E117-A121 VanDerWaalsContact O-CB 3.25Å; E117-A121 WeakPolarHBondContact O-CB 3.25Å; E117-A121 PolarHBondContact O-N 2.93Å
118V71.8Confident65.3Low69 Ų69116.4 Ų116.442%0.41858%0.576SS.*Hα-helixtrans-71.9-42.4174.6168.30000111.5V114 D115 E116 A121 L122V114-V118 HydrophobicContact CG1-CG2 4.42Å; V114-V118 WeakPolarHBondContact O-CB 3.5Å; V114-V118 VanDerWaalsContact O-CG2 3.27Å; V114-V118 WeakPolarHBondContact O-CG2 3.43Å; V114-V118 PolarHBondContact O-N 3.17Å; D115-V118 PolarHBondContact O-N 2.92Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 3.14Å; V118-A121 PolarHBondContact O-N 2.87Å; V118-L122 HydrophobicContact CG1-CD1 3.91Å; V118-L122 HydrophobicContact CG1-CG 4.37Å; V118-L122 WeakPolarHBondContact O-CB 3.26Å; V118-L122 VanDerWaalsContact O-CG 3.26Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 3.16Å
119E70.5Confident64.6Low146 Ų146115.8 Ų115.868%0.68258%0.58SS**Hα-helixtrans-64-42.6174.9-75.9-151.3162.500112.1D115 E116 L122 K123D115-E119 PolarHBondContact O-N 2.4Å; E116-E119 PolarHBondContact O-N 2.97Å; E119-L122 PolarHBondContact O-N 3.14Å; E119-K123 VanDerWaalsContact O-CB 3.25Å; E119-K123 WeakPolarHBondContact O-CB 3.45Å; E119-K123 PolarHBondContact O-N 3.42Å
120E68.7Low64.1Low148 Ų148113.5 Ų113.569%0.69258%0.575SS**Hα-helixtrans-63.8-42.2175.3-174.6168.7-144.300111.4E116 K123 Y124E116-E120 PolarHBondContact O-N 3.49Å; E120-K123 PolarHBondContact O-N 2.92Å; E120-Y124 WeakPolarHBondContact O-CB 3.01Å; E120-Y124 PolarHBondContact O-N 2.76Å
121A64.1Low63.4Low51 Ų51110.9 Ų110.942%0.42157%0.565SS.*Hα-helixtrans-63.5-41.2175.900000112.6E117 V118 N125E117-A121 VanDerWaalsContact O-CB 3.25Å; E117-A121 WeakPolarHBondContact O-CB 3.25Å; E117-A121 PolarHBondContact O-N 2.93Å; V118-A121 PolarHBondContact O-N 2.87Å; A121-N125 PolarHBondContact O-N 3.38Å; A121-N125 VanDerWaalsContact O-N 3.14Å; A121-N125 PolarHBondContact O-ND2 2.91Å
122L65.2Low63Low113 Ų113109.7 Ų109.759%0.59257%0.571SS**Hα-helixtrans-64.2-47.2176-75.1170.2000111.2V118 E119 Y124 N125 E126V118-L122 HydrophobicContact CG1-CD1 3.91Å; V118-L122 HydrophobicContact CG1-CG 4.37Å; V118-L122 WeakPolarHBondContact O-CB 3.26Å; V118-L122 VanDerWaalsContact O-CG 3.26Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 3.16Å; E119-L122 PolarHBondContact O-N 3.14Å; L122-Y124 PolarHBondContact O-N 3.49Å; L122-N125 WeakPolarHBondContact O-CB 3.26Å; L122-N125 PolarHBondContact O-N 2.88Å; L122-N125 VanDerWaalsContact O-N 3.16Å; L122-E126 PolarHBondContact O-N 3.04Å
123K70.3Confident62.5Low137 Ų137104.9 Ų104.960%0.59655%0.551SS**Hα-helixtrans-61.3-43.1177.8-178.6-177.1175.9-1720112.5E119 E120 N125 E126 D127E119-K123 VanDerWaalsContact O-CB 3.25Å; E119-K123 WeakPolarHBondContact O-CB 3.45Å; E119-K123 PolarHBondContact O-N 3.42Å; E120-K123 PolarHBondContact O-N 2.92Å; K123-N125 VanDerWaalsContact C-N 3.3Å; K123-N125 PolarHBondContact O-N 2.87Å; K123-E126 PolarHBondContact O-N 3.36Å; K123-D127 PolarHBondContact O-N 2.87Å
124Y58.2Low61.8Low171 Ų171102 Ų10267%0.67155%0.545SS*.Hα-helixtrans-60.6-39.5174.6-179.9-94.5000111.9E120 L122 A128E120-Y124 WeakPolarHBondContact O-CB 3.01Å; E120-Y124 PolarHBondContact O-N 2.76Å; L122-Y124 PolarHBondContact O-N 3.49Å; Y124-A128 WeakPolarHBondContact O-CB 3.35Å; Y124-A128 PolarHBondContact O-N 3.42Å
125N61Low61.5Low95 Ų95104 Ų10451%0.50856%0.558SS.*Hα-helixtrans-69.1-35.7174.5-78.6-71.9000112.6A121 L122 K123 A128 T129A121-N125 PolarHBondContact O-N 3.38Å; A121-N125 VanDerWaalsContact O-N 3.14Å; A121-N125 PolarHBondContact O-ND2 2.91Å; L122-N125 WeakPolarHBondContact O-CB 3.26Å; L122-N125 PolarHBondContact O-N 2.88Å; L122-N125 VanDerWaalsContact O-N 3.16Å; K123-N125 VanDerWaalsContact C-N 3.3Å; K123-N125 PolarHBondContact O-N 2.87Å; N125-A128 PolarHBondContact O-N 3.29Å; N125-T129 WeakPolarHBondContact O-CB 3.04Å; N125-T129 WeakPolarHBondContact O-CG2 3.35Å; N125-T129 PolarHBondContact O-N 3.02Å; N125-T129 PolarHBondContact O-OG1 3.41Å
126E58.8Low61.3Low136 Ų136101 Ų10164%0.63654%0.541SS*.Hα-helixtrans-68.1-44.9175.9-167.6166-148.800111.5L122 K123 A128 T129 Q130L122-E126 PolarHBondContact O-N 3.04Å; K123-E126 PolarHBondContact O-N 3.36Å; E126-A128 VanDerWaalsContact C-N 3.35Å; E126-A128 PolarHBondContact O-N 2.96Å; E126-T129 CarbonylContact O-C 3.5Å; E126-T129 PolarHBondContact O-N 3.34Å; E126-T129 PolarHBondContact O-OG1 3.09Å; E126-Q130 WeakPolarHBondContact O-CG 3.33Å; E126-Q130 PolarHBondContact O-N 3.3Å
127D56.9Low61.7Low97 Ų97100.9 Ų100.952%0.51954%0.539SS..Hα-helixtrans-65.9-34.1173.9-80.2-25.1000112.7K123 T129 Q130K123-D127 PolarHBondContact O-N 2.87Å; D127-T129 VanDerWaalsContact C-N 3.32Å; D127-Q130 PolarHBondContact OD1-NE2 3.37Å
128A53.7Low62.2Low70 Ų70101.2 Ų101.258%0.57955%0.55SS*.Hα-helixtrans-74.6-17.8174.200000114Y124 N125 E126Y124-A128 WeakPolarHBondContact O-CB 3.35Å; Y124-A128 PolarHBondContact O-N 3.42Å; N125-A128 PolarHBondContact O-N 3.29Å; E126-A128 VanDerWaalsContact C-N 3.35Å; E126-A128 PolarHBondContact O-N 2.96Å
129T52Low62.2Low108 Ų108101.7 Ų101.766%0.66356%0.561SS**Hα-helixtrans-108.70176.656.90000113.8N125 E126 D127 D131N125-T129 WeakPolarHBondContact O-CB 3.04Å; N125-T129 WeakPolarHBondContact O-CG2 3.35Å; N125-T129 PolarHBondContact O-N 3.02Å; N125-T129 PolarHBondContact O-OG1 3.41Å; E126-T129 CarbonylContact O-C 3.5Å; E126-T129 PolarHBondContact O-N 3.34Å; E126-T129 PolarHBondContact O-OG1 3.09Å; D127-T129 VanDerWaalsContact C-N 3.32Å; T129-D131 PolarHBondContact O-N 2.79Å
130Q53.2Low62.4Low95 Ų9596.4 Ų96.444%0.44454%0.539SS..  trans-56.8110.4173.6-92.7-160.758.500110.8E126 D127 A132 S134E126-Q130 WeakPolarHBondContact O-CG 3.33Å; E126-Q130 PolarHBondContact O-N 3.3Å; D127-Q130 PolarHBondContact OD1-NE2 3.37Å; Q130-A132 PolarHBondContact O-N 3.42Å; Q130-S134 PolarHBondContact OE1-OG 3.27Å
131D53.1Low62.8Low88 Ų8895.3 Ų95.347%0.47153%0.528SS..  trans-48.6121.6170.6171.122.4000109.3T129 T133 S134 R141T129-D131 PolarHBondContact O-N 2.79Å; D131-T133 PolarHBondContact O-N 3.28Å; D131-T133 PolarHBondContact OD2-OG1 3.38Å; D131-S134 VanDerWaalsContact O-CB 3.32Å; D131-S134 WeakPolarHBondContact O-CB 3.35Å; D131-S134 PolarHBondContact O-N 3.31Å; D131-S134 PolarHBondContact O-OG 3.04Å; D131-R141 IonicContact OD2-CZ 3.96Å; D131-R141 IonicContact OD2-NH2 2.92Å; D131-R141 PolarHBondContact OD2-NH2 3.19Å
132A57.5Low63.7Low90 Ų90100.1 Ų100.174%0.74454%0.54SS*.THydrogen-bonded Turntrans-63.47.2-169.400000115.3Q130Q130-A132 PolarHBondContact O-N 3.42Å
133T55.3Low64.4Low27 Ų2799.9 Ų99.917%0.16654%0.536CS..THydrogen-bonded Turntrans-102.8-1.5169.370.90000114.1D131 T135 L136 R141 I144D131-T133 PolarHBondContact O-N 3.28Å; D131-T133 PolarHBondContact OD2-OG1 3.38Å; T133-T135 PolarHBondContact O-N 2.92Å; T133-L136 HydrophobicContact CG2-CD1 4.31Å; T133-L136 WeakPolarHBondContact O-CB 3.37Å; T133-L136 PolarHBondContact O-N 3.37Å; T133-R141 PolarHBondContact OG1-NE 2.95Å; T133-R141 VanDerWaalsContact OG1-NE 3.14Å; T133-I144 HydrophobicContact CG2-CD1 4.12Å
134S55.4Low64.9Low53 Ų5394.2 Ų94.237%0.37151%0.512SS..THydrogen-bonded Turntrans-59.9-41.3-178.163.40000113.2Q130 D131 L136Q130-S134 PolarHBondContact OE1-OG 3.27Å; D131-S134 VanDerWaalsContact O-CB 3.32Å; D131-S134 WeakPolarHBondContact O-CB 3.35Å; D131-S134 PolarHBondContact O-N 3.31Å; D131-S134 PolarHBondContact O-OG 3.04Å; S134-L136 VanDerWaalsContact C-N 3.26Å; S134-L136 PolarHBondContact O-N 3.07Å
135T60.8Low66.1Low120 Ų12092.5 Ų92.574%0.73651%0.51SS*.THydrogen-bonded Turntrans-77.4-6.7-179.256.10000113.7T133T133-T135 PolarHBondContact O-N 2.92Å
136L66.1Low67.3Low47 Ų4795.4 Ų95.425%0.24652%0.518CS..SBendtrans-86.3143.5-176.7-60.1178.5000112.1T133 S134 V140 I144 F168T133-L136 HydrophobicContact CG2-CD1 4.31Å; T133-L136 WeakPolarHBondContact O-CB 3.37Å; T133-L136 PolarHBondContact O-N 3.37Å; S134-L136 VanDerWaalsContact C-N 3.26Å; S134-L136 PolarHBondContact O-N 3.07Å; L136-V140 HydrophobicContact CD1-CG1 4.36Å; L136-I144 HydrophobicContact CD1-CD1 3.42Å; L136-I144 VanDerWaalsContact CD1-CD1 3.42Å; L136-F168 HydrophobicContact CD1-CE2 4.25Å; L136-F168 HydrophobicContact CD1-CZ 3.93Å
137K76.4Confident68.5Low148 Ų14890.9 Ų90.964%0.64350%0.498SS*.  trans-52.9136.2175.8-68.8166.7-177159.30110.1A139 V140 R141K137-A139 PolarHBondContact O-N 3.03Å; K137-V140 HydrophobicContact CB-CG2 4.27Å; K137-V140 WeakPolarHBondContact O-CA 3.5Å; K137-V140 WeakPolarHBondContact O-CB 3.16Å; K137-V140 PolarHBondContact O-N 3.17Å; K137-R141 PolarHBondContact O-N 3.28Å; K137-R141 VanDerWaalsContact O-N 3.13Å
138P76.2Confident69.9Low116 Ų11690.9 Ų90.975%0.75349%0.493SS*.Hα-helixtrans-54.2-31.2-174.3-30.835.7000115.5R141 K142P138-R141 PolarHBondContact O-N 3.39Å; P138-K142 PolarHBondContact O-N 3.34Å; P138-K142 VanDerWaalsContact O-N 3.11Å
139A73.8Confident71.5Confident80 Ų8094.3 Ų94.366%0.66150%0.497SS*.Hα-helixtrans-63-41.2173.500000112.7K137 K142 E143K137-A139 PolarHBondContact O-N 3.03Å; A139-K142 PolarHBondContact O-N 3.09Å; A139-E143 PolarHBondContact O-N 3.39Å; A139-E143 VanDerWaalsContact O-N 3.08Å
140V74.6Confident73.2Confident35 Ų3592.9 Ų92.921%0.21250%0.496CS..Hα-helixtrans-70-40.8176.9-177.80000110.2L136 K137 K142 E143 I144 F168L136-V140 HydrophobicContact CD1-CG1 4.36Å; K137-V140 HydrophobicContact CB-CG2 4.27Å; K137-V140 WeakPolarHBondContact O-CA 3.5Å; K137-V140 WeakPolarHBondContact O-CB 3.16Å; K137-V140 PolarHBondContact O-N 3.17Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.33Å; V140-E143 WeakPolarHBondContact O-CB 3.41Å; V140-E143 PolarHBondContact O-N 2.94Å; V140-I144 HydrophobicContact CG1-CD1 4.04Å; V140-I144 HydrophobicContact CG1-CG1 4.39Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.26Å; V140-I144 PolarHBondContact O-N 2.93Å; V140-F168 HydrophobicContact CG1-CE1 4.01Å; V140-F168 HydrophobicContact CG1-CZ 4.21Å
141R75.5Confident74.8Confident124 Ų12493.1 Ų93.147%0.46850%0.496SS..Hα-helixtrans-58.1-42.2175.4-161.5174.7-167.2-159.91.7111.9D131 T133 K137 P138 I144 E145D131-R141 IonicContact OD2-CZ 3.96Å; D131-R141 IonicContact OD2-NH2 2.92Å; D131-R141 PolarHBondContact OD2-NH2 3.19Å; T133-R141 PolarHBondContact OG1-NE 2.95Å; T133-R141 VanDerWaalsContact OG1-NE 3.14Å; K137-R141 PolarHBondContact O-N 3.28Å; K137-R141 VanDerWaalsContact O-N 3.13Å; P138-R141 PolarHBondContact O-N 3.39Å; R141-I144 PolarHBondContact O-N 3.1Å; R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.33Å
142K82.8Confident76.5Confident153 Ų15390 Ų9067%0.66548%0.481SS*.Hα-helixtrans-68.1-31.4174.6-171.7169.3-175.1169.10113.6P138 A139 V140 K146P138-K142 PolarHBondContact O-N 3.34Å; P138-K142 VanDerWaalsContact O-N 3.11Å; A139-K142 PolarHBondContact O-N 3.09Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.33Å; K142-K146 WeakPolarHBondContact O-CB 3.36Å; K142-K146 PolarHBondContact O-N 2.59Å; K142-K146 VanDerWaalsContact O-N 3.15Å
143E81.3Confident78Confident108 Ų10892.8 Ų92.851%0.50548%0.476SS..Hα-helixtrans-69.8-42.2172.6-172.5169.8-166.900111.5A139 V140 K146 L147A139-E143 PolarHBondContact O-N 3.39Å; A139-E143 VanDerWaalsContact O-N 3.08Å; V140-E143 WeakPolarHBondContact O-CB 3.41Å; V140-E143 PolarHBondContact O-N 2.94Å; E143-K146 PolarHBondContact O-N 3.32Å; E143-L147 HydrophobicContact CG-CD1 4.11Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.35Å; E143-L147 PolarHBondContact O-N 3.27Å
144I80.5Confident79.4Confident17 Ų1797.6 Ų97.69%0.08750%0.501CS..Hα-helixtrans-61.4-43.7173.4-64.5165.3000111.1T133 L136 V140 R141 K146 L147 K148 V166 F168T133-I144 HydrophobicContact CG2-CD1 4.12Å; L136-I144 HydrophobicContact CD1-CD1 3.42Å; L136-I144 VanDerWaalsContact CD1-CD1 3.42Å; V140-I144 HydrophobicContact CG1-CD1 4.04Å; V140-I144 HydrophobicContact CG1-CG1 4.39Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.26Å; V140-I144 PolarHBondContact O-N 2.93Å; R141-I144 PolarHBondContact O-N 3.1Å; I144-K146 PolarHBondContact O-N 3.41Å; I144-L147 CarbonylContact O-C 3.49Å; I144-L147 PolarHBondContact O-N 3.18Å; I144-K148 WeakPolarHBondContact O-CB 3.37Å; I144-K148 PolarHBondContact O-N 3.4Å; I144-V166 HydrophobicContact CG1-CG2 4.27Å; I144-V166 HydrophobicContact CG2-CG2 4.11Å; I144-F168 HydrophobicContact CD1-CZ 4.12Å
145E83.6Confident81.1Confident136 Ų13698 Ų9864%0.63650%0.495SS*.Hα-helixtrans-59.7-46.4176.9-175.7178.5-152.200111.6R141 L147 K148 E149R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.33Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3Å; E145-K148 WeakPolarHBondContact O-CB 3.42Å; E145-K148 PolarHBondContact O-N 2.62Å; E145-E149 PolarHBondContact O-N 2.95Å
146K86.4Confident82.6Confident156 Ų15693.3 Ų93.368%0.67847%0.466SS*.Hα-helixtrans-63.2-38.4174.4-174.8-176.6178.3-173.40112.5K142 E143 I144 A150K142-K146 WeakPolarHBondContact O-CB 3.36Å; K142-K146 PolarHBondContact O-N 2.59Å; K142-K146 VanDerWaalsContact O-N 3.15Å; E143-K146 PolarHBondContact O-N 3.32Å; I144-K146 PolarHBondContact O-N 3.41Å; K146-A150 VanDerWaalsContact O-CB 3.26Å; K146-A150 WeakPolarHBondContact O-CB 3.36Å; K146-A150 PolarHBondContact O-N 3.07Å
147L84.3Confident83.7Confident41 Ų4194.5 Ų94.522%0.21547%0.471CS..Hα-helixtrans-67.4-36.6174.2-74.9165.6000111.5E143 I144 E145 A150 K151 V173 V176E143-L147 HydrophobicContact CG-CD1 4.11Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.35Å; E143-L147 PolarHBondContact O-N 3.27Å; I144-L147 CarbonylContact O-C 3.49Å; I144-L147 PolarHBondContact O-N 3.18Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3Å; L147-A150 PolarHBondContact O-N 3.42Å; L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 VanDerWaalsContact O-CG 3.24Å; L147-K151 WeakPolarHBondContact O-CG 3.27Å; L147-K151 PolarHBondContact O-N 3.03Å; L147-V173 HydrophobicContact CD1-CG1 4.32Å; L147-V176 HydrophobicContact CB-CG1 4.37Å; L147-V176 HydrophobicContact CD1-CG2 4.07Å; L147-V176 HydrophobicContact CD2-CG2 4.41Å
148K86.1Confident84.3Confident97 Ų9792.1 Ų92.142%0.42246%0.461SS..Hα-helixtrans-62.3-52.1174.1-175.8174.8-179.2173.90110.5I144 E145 A150 K151 C152 C162 V164I144-K148 WeakPolarHBondContact O-CB 3.37Å; I144-K148 PolarHBondContact O-N 3.4Å; E145-K148 WeakPolarHBondContact O-CB 3.42Å; E145-K148 PolarHBondContact O-N 2.62Å; K148-A150 PolarHBondContact O-N 3.31Å; K148-K151 PolarHBondContact O-N 2.87Å; K148-C152 WeakPolarHBondContact O-CB 3.5Å; K148-C152 PolarHBondContact O-N 3Å; K148-C162 WeakPolarHBondContact CE-O 3.39Å; K148-V164 HydrophobicContact CB-CG2 4.27Å; K148-V164 HydrophobicContact CG-CG2 4.16Å
149E87.4Confident84.8Confident141 Ų14194.3 Ų94.366%0.65947%0.467SS*.Hα-helixtrans-56.3-49.5175-167.1-170.7178.700111.3E145 K151 K153E145-E149 PolarHBondContact O-N 2.95Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.46Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 2.75Å
150A87.4Confident85.5Confident78 Ų7891.1 Ų91.165%0.64544%0.441SS*.Hα-helixtrans-70.6-20-176.600000115.3K146 L147 K148K146-A150 VanDerWaalsContact O-CB 3.26Å; K146-A150 WeakPolarHBondContact O-CB 3.36Å; K146-A150 PolarHBondContact O-N 3.07Å; L147-A150 PolarHBondContact O-N 3.42Å; K148-A150 PolarHBondContact O-N 3.31Å
151K87.2Confident86.2Confident101 Ų10193 Ų9344%0.43945%0.452SS..Hα-helixtrans-106.7-27.2-179.7-67.3-66.4-172.7177.40114.2L147 K148 E149 Y155 V164 V176 P178L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 VanDerWaalsContact O-CG 3.24Å; L147-K151 WeakPolarHBondContact O-CG 3.27Å; L147-K151 PolarHBondContact O-N 3.03Å; K148-K151 PolarHBondContact O-N 2.87Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.46Å; K151-Y155 VanDerWaalsContact O-CB 3.26Å; K151-Y155 WeakPolarHBondContact O-CB 3.25Å; K151-V164 HydrophobicContact CB-CG2 4.45Å; K151-V176 HydrophobicContact CG-CG1 4.04Å; K151-P178 HydrophobicContact CB-CB 4.35Å; K151-P178 HydrophobicContact CB-CG 4.48Å
152C88.5Confident86.9Confident21 Ų2188.1 Ų88.114%0.14244%0.437CS..Hα-helixtrans-88-26.4178.1-76.60000113.7K148 D154 Y155 C162 V164K148-C152 WeakPolarHBondContact O-CB 3.5Å; K148-C152 PolarHBondContact O-N 3Å; C152-D154 PolarHBondContact O-N 2.85Å; C152-D154 VanDerWaalsContact O-N 3.13Å; C152-Y155 PolarHBondContact O-N 3.16Å; C152-C162 WeakPolarHBondContact CA-SG 3.43Å; C152-C162 HydrophobicContact CB-CB 3.46Å; C152-C162 VanDerWaalsContact CB-CB 3.46Å; C152-C162 WeakPolarHBondContact CB-SG 3.32Å; C152-C162 WeakPolarHBondContact SG-CB 3.29Å; C152-C162 CovalentContact SG-SG 2.03Å; C152-C162 PolarHBondContact SG-SG 2.98Å; C152-V164 VanDerWaalsContact SG-CG2 3.52Å
153K88.4Confident87.2Confident150 Ų15086.4 Ų86.465%0.65243%0.431SS*.THydrogen-bonded Turntrans-54.6120.7178.8178.2166.5-175.71710110.8E149 Y155E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 2.75Å; K153-Y155 PolarHBondContact O-N 3.39Å
154D85.6Confident87.5Confident127 Ų12782.6 Ų82.668%0.67942%0.415SS*.THydrogen-bonded Turntrans56.312.6-178.1-48.6-46.8000114.9C152 R190C152-D154 PolarHBondContact O-N 2.85Å; C152-D154 VanDerWaalsContact O-N 3.13Å; D154-R190 PolarHBondContact O-NH2 2.86Å
155Y90Very high87.7Confident63 Ų6387.2 Ų87.225%0.24744%0.436CS..THydrogen-bonded Turntrans-79.3-52.1-179.7-174.9-104.2000111.9K151 C152 K153 P178 C180 R190K151-Y155 VanDerWaalsContact O-CB 3.26Å; K151-Y155 WeakPolarHBondContact O-CB 3.25Å; C152-Y155 PolarHBondContact O-N 3.16Å; K153-Y155 PolarHBondContact O-N 3.39Å; Y155-P178 HydrophobicContact CD1-CB 3.74Å; Y155-P178 HydrophobicContact CD1-CG 3.95Å; Y155-P178 HydrophobicContact CD2-CG 4.3Å; Y155-P178 HydrophobicContact CE1-CB 3.82Å; Y155-P178 HydrophobicContact CE1-CG 3.73Å; Y155-P178 HydrophobicContact CE2-CG 4.08Å; Y155-P178 HydrophobicContact CG-CB 4.29Å; Y155-P178 HydrophobicContact CG-CG 4.24Å; Y155-C180 WeakPolarHBondContact CD1-SG 3.48Å; Y155-C180 VanDerWaalsContact CE1-SG 3.58Å; Y155-R190 HydrophobicContact CD2-CG 4.47Å; Y155-R190 HydrophobicContact CE1-CG 4.15Å; Y155-R190 HydrophobicContact CE2-CG 3.98Å; Y155-R190 PolarHBondContact O-NE 3.13Å; Y155-R190 PolarHBondContact O-NH2 3.29Å
156C91.9Very high87.7Confident21 Ų2182 Ų8214%0.14241%0.414CS..SBendtrans-87.3134.3177.8-54.20000111.1A160 C162 C180C156-A160 HydrophobicContact CB-CB 4.02Å; C156-C162 HydrophobicContact CB-CB 4.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 VanDerWaalsContact SG-SG 3.68Å; C156-C180 WeakPolarHBondContact CA-SG 3.3Å; C156-C180 HydrophobicContact CB-CB 3.84Å; C156-C180 WeakPolarHBondContact CB-SG 3.47Å; C156-C180 VanDerWaalsContact SG-CA 3.5Å; C156-C180 WeakPolarHBondContact SG-CB 3.44Å; C156-C180 CovalentContact SG-SG 2.03Å; C156-C180 PolarHBondContact SG-SG 2.94Å
157H90.8Very high87.6Confident72 Ų7278.6 Ų78.633%0.33340%0.402SS..  trans-94.7172.8177.9-63.2-60000112N159 A160 R190H157-N159 VanDerWaalsContact C-N 3.28Å; H157-N159 PolarHBondContact O-N 3.5Å; H157-N159 VanDerWaalsContact O-N 3.13Å; H157-A160 VanDerWaalsContact O-CB 3.26Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.42Å; H157-R190 WeakPolarHBondContact CB-O 3.48Å; H157-R190 PolarHBondContact CE1-NH2 3.2Å; H157-R190 PolarHBondContact N-O 3.29Å; H157-R190 VanDerWaalsContact NE2-CZ 3.31Å; H157-R190 PolarHBondContact NE2-NH2 3.13Å
158H87.9Confident87.3Confident97 Ų9780.4 Ų80.445%0.44941%0.408SS..THydrogen-bonded Turntrans53.435.6171.2-57.7-76.1000115.7A160 W186 C191H158-A160 PolarHBondContact O-N 2.99Å; H158-W186 HydrophobicContact CB-CD2 4.08Å; H158-W186 HydrophobicContact CB-CE3 4.4Å; H158-W186 HydrophobicContact CB-CG 4.41Å; H158-W186 AromaticContact CD2-CE3 3.54Å; H158-W186 AromaticContact CD2-CH2 3.88Å; H158-W186 AromaticContact CD2-CZ3 3.42Å; H158-W186 VanDerWaalsContact CD2-CZ3 3.42Å; H158-W186 WeakPolarHBondContact CD2-CZ3 3.49Å; H158-W186 AromaticContact CE1-CH2 3.35Å; H158-W186 WeakPolarHBondContact CE1-CH2 3.41Å; H158-W186 AromaticContact CE1-CZ2 3.92Å; H158-W186 AromaticContact CE1-CZ3 3.64Å; H158-W186 AromaticContact CG-CD2 3.89Å; H158-W186 AromaticContact CG-CE2 3.92Å; H158-W186 AromaticContact CG-CE3 3.8Å; H158-W186 AromaticContact CG-CH2 3.86Å; H158-W186 AromaticContact CG-CZ2 3.92Å; H158-W186 AromaticContact CG-CZ3 3.79Å; H158-W186 AromaticContact ND1-CH2 3.52Å; H158-W186 AromaticContact ND1-CZ2 3.6Å; H158-W186 AromaticContact ND1-CZ3 3.9Å; H158-W186 AromaticContact NE2-CH2 3.62Å; H158-W186 AromaticContact NE2-CZ3 3.37Å; H158-W186 WeakPolarHBondContact NE2-CZ3 3.5Å; H158-C191 PolarHBondContact CD2-O 2.95Å; H158-C191 VanDerWaalsContact CD2-O 3.31Å
159N86.2Confident87Confident163 Ų16384.6 Ų84.687%0.87242%0.421SS*.THydrogen-bonded Turntrans61.124.1-179-159.752.9000114.5H157H157-N159 VanDerWaalsContact C-N 3.28Å; H157-N159 PolarHBondContact O-N 3.5Å; H157-N159 VanDerWaalsContact O-N 3.13Å
160A88.6Confident86.3Confident13 Ų1386.3 Ų86.311%0.10743%0.429CS..  trans-66.4142.1170.200000111.8C156 H157 H158 H181 C191C156-A160 HydrophobicContact CB-CB 4.02Å; H157-A160 VanDerWaalsContact O-CB 3.26Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.42Å; H158-A160 PolarHBondContact O-N 2.99Å; A160-H181 WeakPolarHBondContact CA-O 3.37Å; A160-H181 WeakPolarHBondContact CB-O 3.49Å; A160-C191 HydrophobicContact CB-CB 3.95Å; A160-C191 WeakPolarHBondContact CB-SG 3.42Å
161T90.3Very high85.3Confident73 Ų7389.6 Ų89.645%0.44844%0.436SS..EExtended strand (participates in β ladder)trans-79.2139.1179.5680000110.7H163 H181T161-H163 VanDerWaalsContact CB-NE2 3.33Å; T161-H163 WeakPolarHBondContact CB-NE2 3.39Å; T161-H163 PolarHBondContact OG1-NE2 3.37Å; T161-H181 PolarHBondContact N-O 3.02Å; T161-H181 PolarHBondContact O-N 2.99Å
162C89.7Confident84.5Confident22 Ų2293.8 Ų93.815%0.14945%0.449CS..EExtended strand (participates in β ladder)trans-108126-178.2-173.40000111.9K148 C152 C156K148-C162 WeakPolarHBondContact CE-O 3.39Å; C152-C162 WeakPolarHBondContact CA-SG 3.43Å; C152-C162 HydrophobicContact CB-CB 3.46Å; C152-C162 VanDerWaalsContact CB-CB 3.46Å; C152-C162 WeakPolarHBondContact CB-SG 3.32Å; C152-C162 WeakPolarHBondContact SG-CB 3.29Å; C152-C162 CovalentContact SG-SG 2.03Å; C152-C162 PolarHBondContact SG-SG 2.98Å; C156-C162 HydrophobicContact CB-CB 4.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 VanDerWaalsContact SG-SG 3.68Å
163H88.6Confident83.7Confident118 Ų11895 Ų9555%0.54646%0.456SS..EExtended strand (participates in β ladder)trans-115.1159.5174-59.2-81.5000108.9T161 P178 S179T161-H163 VanDerWaalsContact CB-NE2 3.33Å; T161-H163 WeakPolarHBondContact CB-NE2 3.39Å; T161-H163 PolarHBondContact OG1-NE2 3.37Å; H163-P178 WeakPolarHBondContact O-CA 3.31Å; H163-S179 PolarHBondContact N-O 3.36Å; H163-S179 PolarHBondContact O-N 3.34Å
164V88.7Confident83.2Confident27 Ų2790.7 Ų90.716%0.16445%0.445CS..EExtended strand (participates in β ladder)trans-133115.7180176.60000109.5K148 K151 C152 V166 V176 V177 P178K148-V164 HydrophobicContact CB-CG2 4.27Å; K148-V164 HydrophobicContact CG-CG2 4.16Å; K151-V164 HydrophobicContact CB-CG2 4.45Å; C152-V164 VanDerWaalsContact SG-CG2 3.52Å; V164-V166 HydrophobicContact CG1-CG2 4.01Å; V164-V176 HydrophobicContact CG1-CG1 3.31Å; V164-V177 WeakPolarHBondContact CA-O 3.37Å; V164-P178 HydrophobicContact CG2-CB 4.34Å
165E85.1Confident82.9Confident114 Ų11486.7 Ų86.753%0.53343%0.429SS..EExtended strand (participates in β ladder)trans-83.7124.6172.9-69.2167-144.900108.8V177E165-V177 HydrophobicContact CB-CB 4.47Å; E165-V177 PolarHBondContact N-O 2.78Å; E165-V177 PolarHBondContact O-N 3Å
166V83.6Confident82.7Confident27 Ų2785.1 Ų85.116%0.16443%0.426CS..EExtended strand (participates in β ladder)trans-113.3108.8-176-177.10000108.5I144 V164 F168 V173I144-V166 HydrophobicContact CG1-CG2 4.27Å; I144-V166 HydrophobicContact CG2-CG2 4.11Å; V164-V166 HydrophobicContact CG1-CG2 4.01Å; V166-F168 HydrophobicContact CB-CE2 4.08Å; V166-F168 HydrophobicContact CB-CZ 4.28Å; V166-F168 HydrophobicContact CG1-CD2 4.38Å; V166-F168 HydrophobicContact CG1-CE1 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.75Å; V166-F168 HydrophobicContact CG1-CZ 3.58Å; V166-F168 WeakPolarHBondContact O-CD2 3.42Å; V166-V173 HydrophobicContact CG1-CB 4.35Å; V166-V173 HydrophobicContact CG1-CG1 3.88Å; V166-V173 HydrophobicContact CG1-CG2 3.79Å
167I82.6Confident82.5Confident85 Ų8587.3 Ų87.344%0.43644%0.438SS..EExtended strand (participates in β ladder)trans-90.9111-177.1-55.6178.4000108.3S174 A175I167-S174 WeakPolarHBondContact O-CA 3.47Å; I167-S174 WeakPolarHBondContact O-CB 3.25Å; I167-S174 PolarHBondContact O-N 3.49Å; I167-S174 PolarHBondContact O-OG 3.48Å; I167-A175 HydrophobicContact CB-CB 4.23Å; I167-A175 HydrophobicContact CD1-CB 4.33Å; I167-A175 PolarHBondContact N-O 3.38Å; I167-A175 PolarHBondContact O-N 3.26Å
168F79.9Confident82.4Confident79 Ų7985 Ų8535%0.34643%0.43SS..EExtended strand (participates in β ladder)trans-84.4147.6176.8-63.3-86.3000112.2L136 V140 I144 V166 R172 V173L136-F168 HydrophobicContact CD1-CE2 4.25Å; L136-F168 HydrophobicContact CD1-CZ 3.93Å; V140-F168 HydrophobicContact CG1-CE1 4.01Å; V140-F168 HydrophobicContact CG1-CZ 4.21Å; I144-F168 HydrophobicContact CD1-CZ 4.12Å; V166-F168 HydrophobicContact CB-CE2 4.08Å; V166-F168 HydrophobicContact CB-CZ 4.28Å; V166-F168 HydrophobicContact CG1-CD2 4.38Å; V166-F168 HydrophobicContact CG1-CE1 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.75Å; V166-F168 HydrophobicContact CG1-CZ 3.58Å; V166-F168 WeakPolarHBondContact O-CD2 3.42Å; F168-R172 CarbonylContact C-O 3.54Å; F168-R172 VanDerWaalsContact CA-O 3.3Å; F168-R172 WeakPolarHBondContact CA-O 3.46Å; F168-V173 HydrophobicContact CD1-CG2 4.3Å; F168-V173 HydrophobicContact CE1-CG2 3.76Å; F168-V173 HydrophobicContact CZ-CG2 4.44Å
169R79.3Confident82.6Confident184 Ų18482.7 Ų82.769%0.69443%0.425SS*.EExtended strand (participates in β ladder)trans-141.2132.7161.4-69.8-178.7178.7-169.4-1.2107.9D171 R172R169-D171 VanDerWaalsContact C-N 3.34Å; R169-D171 PolarHBondContact O-N 3.46Å; R169-R172 PolarHBondContact N-O 3.28Å; R169-R172 PolarHBondContact O-N 3.18Å; R169-R172 VanDerWaalsContact O-O 3.13Å
170E71.9Confident82.9Confident178 Ų17875.9 Ų75.983%0.83239%0.389SS*.THydrogen-bonded Turntrans51.250.1175.1-59.7168.1-157.200112.6R172E170-R172 WeakPolarHBondContact O-CG 3.29Å; E170-R172 PolarHBondContact O-N 3.27Å; E170-R172 VanDerWaalsContact O-N 3.07Å
171D66.2Low83Confident147 Ų14781.6 Ų81.679%0.78641%0.414SS*.THydrogen-bonded Turntrans56.814.7-175-70.71.2000116.1R169R169-D171 VanDerWaalsContact C-N 3.34Å; R169-D171 PolarHBondContact O-N 3.46Å
172R70.1Confident83.1Confident189 Ų18979.6 Ų79.671%0.71340%0.403SS*.EExtended strand (participates in β ladder)trans-118.7145.8-179.9-62.4172.4-164.8-161.73.2111.6F168 R169 E170 S174F168-R172 CarbonylContact C-O 3.54Å; F168-R172 VanDerWaalsContact CA-O 3.3Å; F168-R172 WeakPolarHBondContact CA-O 3.46Å; R169-R172 PolarHBondContact N-O 3.28Å; R169-R172 PolarHBondContact O-N 3.18Å; R169-R172 VanDerWaalsContact O-O 3.13Å; E170-R172 WeakPolarHBondContact O-CG 3.29Å; E170-R172 PolarHBondContact O-N 3.27Å; E170-R172 VanDerWaalsContact O-N 3.07Å; R172-S174 PolarHBondContact O-N 2.9Å; R172-S174 VanDerWaalsContact O-N 3.16Å
173V73.1Confident83.1Confident47 Ų4780.9 Ų80.929%0.28541%0.411SS..EExtended strand (participates in β ladder)trans-64.3112.8169.9175.40000108.8L147 V166 F168 V176L147-V173 HydrophobicContact CD1-CG1 4.32Å; V166-V173 HydrophobicContact CG1-CB 4.35Å; V166-V173 HydrophobicContact CG1-CG1 3.88Å; V166-V173 HydrophobicContact CG1-CG2 3.79Å; F168-V173 HydrophobicContact CD1-CG2 4.3Å; F168-V173 HydrophobicContact CE1-CG2 3.76Å; F168-V173 HydrophobicContact CZ-CG2 4.44Å; V173-V176 HydrophobicContact CG1-CG2 3.36Å
174S77.1Confident83Confident59 Ų5984.7 Ų84.741%0.41343%0.429SS..EExtended strand (participates in β ladder)trans-101.4-32.3-176.576.50000113.2I167 R172I167-S174 WeakPolarHBondContact O-CA 3.47Å; I167-S174 WeakPolarHBondContact O-CB 3.25Å; I167-S174 PolarHBondContact O-N 3.49Å; I167-S174 PolarHBondContact O-OG 3.48Å; R172-S174 PolarHBondContact O-N 2.9Å; R172-S174 VanDerWaalsContact O-N 3.16Å
175A79.8Confident82.8Confident42 Ų4284.7 Ų84.735%0.34743%0.434SS..EExtended strand (participates in β ladder)trans-149.8154.8170.800000110.6I167I167-A175 HydrophobicContact CB-CB 4.23Å; I167-A175 HydrophobicContact CD1-CB 4.33Å; I167-A175 PolarHBondContact N-O 3.38Å; I167-A175 PolarHBondContact O-N 3.26Å
176V84.9Confident83.1Confident31 Ų3182.9 Ų82.919%0.18842%0.422CS..EExtended strand (participates in β ladder)trans-136.8108.9-176.6-177.30000107.6L147 K151 V164 V173L147-V176 HydrophobicContact CB-CG1 4.37Å; L147-V176 HydrophobicContact CD1-CG2 4.07Å; L147-V176 HydrophobicContact CD2-CG2 4.41Å; K151-V176 HydrophobicContact CG-CG1 4.04Å; V164-V176 HydrophobicContact CG1-CG1 3.31Å; V173-V176 HydrophobicContact CG1-CG2 3.36Å
177V87.8Confident83.3Confident66 Ų6686.7 Ų86.740%0.444%0.438SS..EExtended strand (participates in β ladder)trans-113.6110.3-172.9-176.20000109.1V164 E165V164-V177 WeakPolarHBondContact CA-O 3.37Å; E165-V177 HydrophobicContact CB-CB 4.47Å; E165-V177 PolarHBondContact N-O 2.78Å; E165-V177 PolarHBondContact O-N 3Å
178P89.4Confident83.5Confident23 Ų2383.8 Ų83.815%0.14943%0.43CS..EExtended strand (participates in β ladder)trans-74.4136.2171.331-32.8000110.4K151 Y155 H163 V164K151-P178 HydrophobicContact CB-CB 4.35Å; K151-P178 HydrophobicContact CB-CG 4.48Å; Y155-P178 HydrophobicContact CD1-CB 3.74Å; Y155-P178 HydrophobicContact CD1-CG 3.95Å; Y155-P178 HydrophobicContact CD2-CG 4.3Å; Y155-P178 HydrophobicContact CE1-CB 3.82Å; Y155-P178 HydrophobicContact CE1-CG 3.73Å; Y155-P178 HydrophobicContact CE2-CG 4.08Å; Y155-P178 HydrophobicContact CG-CB 4.29Å; Y155-P178 HydrophobicContact CG-CG 4.24Å; H163-P178 WeakPolarHBondContact O-CA 3.31Å; V164-P178 HydrophobicContact CG2-CB 4.34Å
179S91Very high84Confident50 Ų5085.4 Ų85.435%0.3545%0.446SS..EExtended strand (participates in β ladder)trans-127.9131.6-178.3-171.80000109.4H163H163-S179 PolarHBondContact N-O 3.36Å; H163-S179 PolarHBondContact O-N 3.34Å
180C92.4Very high84.5Confident19 Ų1980.8 Ų80.813%0.12843%0.429CS..EExtended strand (participates in β ladder)trans-105.6123.2-176.5-61.80000111.1Y155 C156 T189Y155-C180 WeakPolarHBondContact CD1-SG 3.48Å; Y155-C180 VanDerWaalsContact CE1-SG 3.58Å; C156-C180 WeakPolarHBondContact CA-SG 3.3Å; C156-C180 HydrophobicContact CB-CB 3.84Å; C156-C180 WeakPolarHBondContact CB-SG 3.47Å; C156-C180 VanDerWaalsContact SG-CA 3.5Å; C156-C180 WeakPolarHBondContact SG-CB 3.44Å; C156-C180 CovalentContact SG-SG 2.03Å; C156-C180 PolarHBondContact SG-SG 2.94Å; C180-T189 PolarHBondContact SG-O 3.45Å
181H91.9Very high85.5Confident133 Ų13372.3 Ų72.362%0.61639%0.389SS*.EExtended strand (participates in β ladder)trans-91.5105.1169.9-167.185.3000109.6A160 T161A160-H181 WeakPolarHBondContact CA-O 3.37Å; A160-H181 WeakPolarHBondContact CB-O 3.49Å; T161-H181 PolarHBondContact N-O 3.02Å; T161-H181 PolarHBondContact O-N 2.99Å
182C91.8Very high86.7Confident32 Ų3268.7 Ų68.722%0.21637%0.37CS..PPolyproline II helixtrans-75.8143.2-171.6-54.30000113W186 C191C182-W186 HydrophobicContact CB-CB 4.24Å; C182-W186 WeakPolarHBondContact CB-O 3.28Å; C182-C191 WeakPolarHBondContact CA-SG 3.37Å; C182-C191 HydrophobicContact CB-CB 3.75Å; C182-C191 WeakPolarHBondContact CB-SG 3.45Å; C182-C191 WeakPolarHBondContact SG-CA 3.45Å; C182-C191 WeakPolarHBondContact SG-CB 3.46Å; C182-C191 CovalentContact SG-SG 2.03Å; C182-C191 PolarHBondContact SG-SG 3.34Å
183P89.9Confident87.5Confident49 Ų4967.2 Ų67.232%0.31836%0.364SS..PPolyproline II helixtrans-66.8161.6168.830.9-35.9000111.1G185 W186P183-G185 PolarHBondContact O-N 2.88Å; P183-W186 HydrophobicContact CG-CB 4.25Å; P183-W186 HydrophobicContact CG-CG 4.2Å; P183-W186 PolarHBondContact O-N 3.38Å; P183-W186 VanDerWaalsContact O-N 3.07Å
184Q86.1Confident88.1Confident198 Ų19870.2 Ų70.293%0.92538%0.375SS*.THydrogen-bonded Turntrans-53.4137.1176.2-64.7-177.9-0.200111.2
185G85.8Confident88Confident27 Ų2772.7 Ų72.728%0.27838%0.376SS..THydrogen-bonded Turntrans81.67.9-175.100000114.9P183 H194 Y195P183-G185 PolarHBondContact O-N 2.88Å; G185-H194 CarbonylContact O-C 3.44Å; G185-H194 VanDerWaalsContact O-CA 3.3Å; G185-H194 WeakPolarHBondContact O-CA 3.4Å; G185-H194 PolarHBondContact O-CD2 3.16Å; G185-Y195 PolarHBondContact O-N 3.36Å
186W90.1Very high87.6Confident75 Ų7575.4 Ų75.428%0.28439%0.388SS..EExtended strand (participates in β ladder)trans-129.6146.3175.5-64.183.4000113.2H158 C182 P183 C191 R193 H194H158-W186 HydrophobicContact CB-CD2 4.08Å; H158-W186 HydrophobicContact CB-CE3 4.4Å; H158-W186 HydrophobicContact CB-CG 4.41Å; H158-W186 AromaticContact CD2-CE3 3.54Å; H158-W186 AromaticContact CD2-CH2 3.88Å; H158-W186 AromaticContact CD2-CZ3 3.42Å; H158-W186 VanDerWaalsContact CD2-CZ3 3.42Å; H158-W186 WeakPolarHBondContact CD2-CZ3 3.49Å; H158-W186 AromaticContact CE1-CH2 3.35Å; H158-W186 WeakPolarHBondContact CE1-CH2 3.41Å; H158-W186 AromaticContact CE1-CZ2 3.92Å; H158-W186 AromaticContact CE1-CZ3 3.64Å; H158-W186 AromaticContact CG-CD2 3.89Å; H158-W186 AromaticContact CG-CE2 3.92Å; H158-W186 AromaticContact CG-CE3 3.8Å; H158-W186 AromaticContact CG-CH2 3.86Å; H158-W186 AromaticContact CG-CZ2 3.92Å; H158-W186 AromaticContact CG-CZ3 3.79Å; H158-W186 AromaticContact ND1-CH2 3.52Å; H158-W186 AromaticContact ND1-CZ2 3.6Å; H158-W186 AromaticContact ND1-CZ3 3.9Å; H158-W186 AromaticContact NE2-CH2 3.62Å; H158-W186 AromaticContact NE2-CZ3 3.37Å; H158-W186 WeakPolarHBondContact NE2-CZ3 3.5Å; C182-W186 HydrophobicContact CB-CB 4.24Å; C182-W186 WeakPolarHBondContact CB-O 3.28Å; P183-W186 HydrophobicContact CG-CB 4.25Å; P183-W186 HydrophobicContact CG-CG 4.2Å; P183-W186 PolarHBondContact O-N 3.38Å; P183-W186 VanDerWaalsContact O-N 3.07Å; W186-C191 HydrophobicContact CB-CB 4.37Å; W186-R193 CarbonylContact C-O 3.57Å; W186-R193 VanDerWaalsContact CA-O 3.28Å; W186-R193 WeakPolarHBondContact CA-O 3.42Å; W186-R193 VanDerWaalsContact CE3-C 3.41Å; W186-H194 AromaticContact CE2-CD2 3.91Å; W186-H194 HydrophobicContact CE3-CB 4.35Å; W186-H194 HydrophobicContact CH2-CB 4.18Å; W186-H194 HydrophobicContact CZ2-CB 4.44Å; W186-H194 AromaticContact CZ2-CD2 3.85Å; W186-H194 HydrophobicContact CZ3-CB 4.14Å
187E88.4Confident86.3Confident107 Ų10779.5 Ų79.550%0.541%0.405SS..EExtended strand (participates in β ladder)trans-144.1167.9-173.8-152.9-158.1147.400110.6C191 D192 R193 Y195E187-C191 CarbonylContact O-C 3.35Å; E187-C191 WeakPolarHBondContact O-CA 3.2Å; E187-D192 PolarHBondContact O-N 3.2Å; E187-R193 PolarHBondContact N-O 3.35Å; E187-R193 PolarHBondContact O-N 2.71Å; E187-Y195 HydrophobicContact CB-CD2 4.46Å; E187-Y195 HydrophobicContact CG-CD2 4.5Å; E187-Y195 WeakPolarHBondContact OE2-CD2 3.41Å
188G87.3Confident84.7Confident25 Ų2579.7 Ų79.726%0.25841%0.414SS..SBendtrans100.2159.1-178.700000112.7R190 C191G188-R190 PolarHBondContact O-N 3.1Å; G188-C191 PolarHBondContact O-N 3.37Å
189T88.7Confident83.1Confident113 Ų11387.4 Ų87.469%0.69345%0.445SS*.THydrogen-bonded Turntrans-63.8-16.5-174.451.90000114.1C180C180-T189 PolarHBondContact SG-O 3.45Å
190R91.8Very high81.1Confident87 Ų8794 Ų9433%0.32846%0.464SS..THydrogen-bonded Turntrans-12011.4174.5-60.6-176.366.9-163.3-1.6112.7D154 Y155 H157 G188 D192D154-R190 PolarHBondContact O-NH2 2.86Å; Y155-R190 HydrophobicContact CD2-CG 4.47Å; Y155-R190 HydrophobicContact CE1-CG 4.15Å; Y155-R190 HydrophobicContact CE2-CG 3.98Å; Y155-R190 PolarHBondContact O-NE 3.13Å; Y155-R190 PolarHBondContact O-NH2 3.29Å; H157-R190 WeakPolarHBondContact CB-O 3.48Å; H157-R190 PolarHBondContact CE1-NH2 3.2Å; H157-R190 PolarHBondContact N-O 3.29Å; H157-R190 VanDerWaalsContact NE2-CZ 3.31Å; H157-R190 PolarHBondContact NE2-NH2 3.13Å; G188-R190 PolarHBondContact O-N 3.1Å; R190-D192 PolarHBondContact O-N 3.05Å
191C91.4Very high79.1Confident0 Ų097.1 Ų97.10%049%0.491CS..SBendtrans57.134.3-170.4-46.20000112.8H158 A160 C182 W186 E187 G188 R193H158-C191 PolarHBondContact CD2-O 2.95Å; H158-C191 VanDerWaalsContact CD2-O 3.31Å; A160-C191 HydrophobicContact CB-CB 3.95Å; A160-C191 WeakPolarHBondContact CB-SG 3.42Å; C182-C191 WeakPolarHBondContact CA-SG 3.37Å; C182-C191 HydrophobicContact CB-CB 3.75Å; C182-C191 WeakPolarHBondContact CB-SG 3.45Å; C182-C191 WeakPolarHBondContact SG-CA 3.45Å; C182-C191 WeakPolarHBondContact SG-CB 3.46Å; C182-C191 CovalentContact SG-SG 2.03Å; C182-C191 PolarHBondContact SG-SG 3.34Å; W186-C191 HydrophobicContact CB-CB 4.37Å; E187-C191 CarbonylContact O-C 3.35Å; E187-C191 WeakPolarHBondContact O-CA 3.2Å; G188-C191 PolarHBondContact O-N 3.37Å; C191-R193 VanDerWaalsContact C-N 3.3Å; C191-R193 PolarHBondContact O-N 3.26Å
192D90.9Very high76.9Confident71 Ų7195.7 Ų95.738%0.3849%0.494SS..  trans-75.9-10.5-17456.3-67.8000114.4E187 R190E187-D192 PolarHBondContact O-N 3.2Å; R190-D192 PolarHBondContact O-N 3.05Å
193R87.8Confident75Confident158 Ų158101.5 Ų101.560%0.59652%0.521SS*.EExtended strand (participates in β ladder)trans-123.4132.6-170-49.3-176.7-176-178.2-2.7110.5W186 E187 C191 Y195W186-R193 CarbonylContact C-O 3.57Å; W186-R193 VanDerWaalsContact CA-O 3.28Å; W186-R193 WeakPolarHBondContact CA-O 3.42Å; W186-R193 VanDerWaalsContact CE3-C 3.41Å; E187-R193 PolarHBondContact N-O 3.35Å; E187-R193 PolarHBondContact O-N 2.71Å; C191-R193 VanDerWaalsContact C-N 3.3Å; C191-R193 PolarHBondContact O-N 3.26Å; R193-Y195 PolarHBondContact O-N 3.47Å
194H85.9Confident73Confident110 Ų110106.7 Ų106.751%0.50955%0.546SS..EExtended strand (participates in β ladder)trans-73.6121.5169.3-170.7-75.4000109.6G185 W186 V196G185-H194 CarbonylContact O-C 3.44Å; G185-H194 VanDerWaalsContact O-CA 3.3Å; G185-H194 WeakPolarHBondContact O-CA 3.4Å; G185-H194 PolarHBondContact O-CD2 3.16Å; W186-H194 AromaticContact CE2-CD2 3.91Å; W186-H194 HydrophobicContact CE3-CB 4.35Å; W186-H194 HydrophobicContact CH2-CB 4.18Å; W186-H194 HydrophobicContact CZ2-CB 4.44Å; W186-H194 AromaticContact CZ2-CD2 3.85Å; W186-H194 HydrophobicContact CZ3-CB 4.14Å; H194-V196 PolarHBondContact O-N 3.14Å
195Y75.8Confident70.9Confident111 Ų111100.8 Ų100.844%0.43554%0.538SS..  trans-69.790.8172.9-175.7-96000109.5G185 E187 R193 Q197G185-Y195 PolarHBondContact O-N 3.36Å; E187-Y195 HydrophobicContact CB-CD2 4.46Å; E187-Y195 HydrophobicContact CG-CD2 4.5Å; E187-Y195 WeakPolarHBondContact OE2-CD2 3.41Å; R193-Y195 PolarHBondContact O-N 3.47Å; Y195-Q197 HydrophobicContact CD1-CB 4.47Å; Y195-Q197 HydrophobicContact CE1-CB 3.89Å; Y195-Q197 HydrophobicContact CE1-CG 4Å
196V69.6Low68.6Low99 Ų99110.8 Ų110.860%0.657%0.567SS**  trans-86.3111.8170-169.20000108.1H194 A198H194-V196 PolarHBondContact O-N 3.14Å; V196-A198 HydrophobicContact CG1-CB 3.91Å; V196-A198 PolarHBondContact O-N 3.3Å
197Q58.2Low66.4Low116 Ų116116.9 Ų116.954%0.54259%0.592SS.*  trans-71.437179.3-159-174-21.900113.4Y195 F199 Y200Y195-Q197 HydrophobicContact CD1-CB 4.47Å; Y195-Q197 HydrophobicContact CE1-CB 3.89Å; Y195-Q197 HydrophobicContact CE1-CG 4Å; Q197-F199 PolarHBondContact O-N 2.87Å; Q197-Y200 PolarHBondContact NE2-O 3.42Å; Q197-Y200 VanDerWaalsContact NE2-O 3.13Å
198A55.2Low64.3Low71 Ų71118.8 Ų118.859%0.58761%0.605SS**THydrogen-bonded Turntrans-72.6-7.7-171.900000115V196V196-A198 HydrophobicContact CG1-CB 3.91Å; V196-A198 PolarHBondContact O-N 3.3Å
199F54.5Low62.4Low184 Ų184125.4 Ų125.481%0.80763%0.629SS**THydrogen-bonded Turntrans-116.7-9.1-171.8-67-72.8000115.4Q197Q197-F199 PolarHBondContact O-N 2.87Å
200Y49.6Very low60.4Low189 Ų189124.2 Ų124.274%0.74163%0.626SS**  trans-13886.3174.5-65.4-74.6000110.8Q197Q197-Y200 PolarHBondContact NE2-O 3.42Å; Q197-Y200 VanDerWaalsContact NE2-O 3.13Å
201A51.5Low58.5Low85 Ų85125 Ų12570%0.70265%0.645SS**  trans-6213216300000108.9I203A201-I203 PolarHBondContact O-N 3.15Å
202P44.2Very low56.8Low102 Ų102129.8 Ų129.866%0.66267%0.674SS**  trans-65.4125.4-177.225.7-33.6000110.7N204P202-N204 PolarHBondContact O-N 3.38Å
203I52.6Low55Low155 Ų155130.9 Ų130.980%0.79569%0.688SS**  trans-80.961.4-178.5-45.2178.5000109.9A201A201-I203 PolarHBondContact O-N 3.15Å
204N47Very low53.4Low158 Ų158126.4 Ų126.485%0.84568%0.684SS**  trans-131.9113.9177-94.4-23.7000110P202P202-N204 PolarHBondContact O-N 3.38Å
205G43.3Very low52.3Low73 Ų73127 Ų12775%0.75369%0.69SS**SBendtrans121.393.6172.300000115
206R37Very low51.8Low237 Ų237125 Ų12589%0.89469%0.691SS**  trans58.9105.9161.9-57.2-175.6-178.8-159.7-0.8116.8N208R206-N208 VanDerWaalsContact C-N 3.27Å; R206-N208 PolarHBondContact O-N 3.09Å
207Y44Very low52Low204 Ų204122.9 Ų122.980%0.868%0.683SS**  trans-65.580.1162.3-77-91.5000111.9Q209Y207-Q209 VanDerWaalsContact C-N 3.27Å; Y207-Q209 PolarHBondContact O-N 3.4Å
208N43.5Very low53Low147 Ų147124 Ų12479%0.78669%0.687SS**  trans-69.496.6148.5-86.4-5.5000106.5R206 S210R206-N208 VanDerWaalsContact C-N 3.27Å; R206-N208 PolarHBondContact O-N 3.09Å; N208-S210 PolarHBondContact O-N 2.73Å
209Q47.6Very low54.2Low163 Ų163123.1 Ų123.176%0.76268%0.679SS**  trans-75.964.9-167.1-164.517854.100112.3Y207 S211Y207-Q209 VanDerWaalsContact C-N 3.27Å; Y207-Q209 PolarHBondContact O-N 3.4Å; Q209-S211 PolarHBondContact O-N 3.03Å; Q209-S211 VanDerWaalsContact O-N 3.14Å; Q209-S211 PolarHBondContact O-OG 3.26Å
210S46.9Very low55.4Low89 Ų89121.2 Ų121.262%0.62267%0.671SS**  trans-50.4117.5170.7-62.80000109.8N208 T212N208-S210 PolarHBondContact O-N 2.73Å; S210-T212 PolarHBondContact O-N 3.18Å; S210-T212 PolarHBondContact O-OG1 3.01Å
211S51.3Low57.2Low104 Ų104118 Ų11873%0.72767%0.666SS**THydrogen-bonded Turntrans-77.232.2-160.5-39.60000115.1Q209Q209-S211 PolarHBondContact O-N 3.03Å; Q209-S211 VanDerWaalsContact O-N 3.14Å; Q209-S211 PolarHBondContact O-OG 3.26Å
212T55.4Low58.9Low99 Ų99117.4 Ų117.461%0.60765%0.65SS**THydrogen-bonded Turntrans-85.4-19.8-170.552.40000114.2S210 A214S210-T212 PolarHBondContact O-N 3.18Å; S210-T212 PolarHBondContact O-OG1 3.01Å; T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 3.21Å
213S53.2Low61Low95 Ų95116.7 Ų116.766%0.66464%0.644SS**THydrogen-bonded Turntrans-72.5-19.1-178.656.40000114.7P216S213-P216 WeakPolarHBondContact O-CD 3.29Å; S213-P216 WeakPolarHBondContact O-CG 3.34Å
214A56.2Low62.7Low64 Ų64114.2 Ų114.253%0.52963%0.63SS.*Hα-helixtrans-72.8-27.4179.100000113.4T212 A217 F218T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 3.21Å; A214-A217 PolarHBondContact O-N 3.23Å; A214-F218 PolarHBondContact O-N 3.05Å
215I61.8Low64.8Low121 Ų121111.6 Ų111.662%0.62162%0.616SS**Hα-helixtrans-61.1-52-174.5-56.9173.3000112.5A217 F218 A219I215-A217 PolarHBondContact O-N 3.45Å; I215-F218 PolarHBondContact O-N 3.38Å; I215-A219 PolarHBondContact O-N 3.46Å
216P65.6Low67.1Low70 Ų70111.8 Ų111.846%0.45560%0.598SS.*Hα-helixtrans-64-38.5177.324-34.6000112.9S213 F218 A219 F220S213-P216 WeakPolarHBondContact O-CD 3.29Å; S213-P216 WeakPolarHBondContact O-CG 3.34Å; P216-F218 PolarHBondContact O-N 3.41Å; P216-A219 WeakPolarHBondContact O-CB 3.22Å; P216-A219 PolarHBondContact O-N 3.49Å; P216-F220 WeakPolarHBondContact O-CD2 3.21Å; P216-F220 PolarHBondContact O-N 2.83Å
217A74.2Confident69.7Low54 Ų54105 Ų10545%0.44658%0.578SS.*Hα-helixtrans-62-42.9179.500000112A214 I215 A219 F220 L221A214-A217 PolarHBondContact O-N 3.23Å; I215-A217 PolarHBondContact O-N 3.45Å; A217-A219 VanDerWaalsContact C-N 3.34Å; A217-A219 PolarHBondContact O-N 3.4Å; A217-F220 PolarHBondContact O-N 3.48Å; A217-L221 WeakPolarHBondContact O-CG 3.41Å; A217-L221 PolarHBondContact O-N 3.3Å; A217-L221 VanDerWaalsContact O-N 3.08Å
218F77.7Confident72Confident140 Ų140101.6 Ų101.661%0.61457%0.568SS**Hα-helixtrans-63.6-38.5176-170.4-115.9000112.4A214 I215 P216 L221 I222A214-F218 PolarHBondContact O-N 3.05Å; I215-F218 PolarHBondContact O-N 3.38Å; P216-F218 PolarHBondContact O-N 3.41Å; F218-L221 PolarHBondContact O-N 3.02Å; F218-I222 HydrophobicContact CD1-CD1 3.79Å; F218-I222 HydrophobicContact CE1-CD1 3.52Å; F218-I222 HydrophobicContact CE1-CG1 4.49Å; F218-I222 HydrophobicContact CG-CD1 4.47Å; F218-I222 HydrophobicContact CZ-CD1 3.98Å; F218-I222 WeakPolarHBondContact O-CG1 3.47Å; F218-I222 PolarHBondContact O-N 3.31Å
219A80.6Confident74.4Confident52 Ų5298.8 Ų98.843%0.4355%0.552SS.*Hα-helixtrans-62.7-43.4174.500000112.4I215 P216 A217 L221 I222 V223I215-A219 PolarHBondContact O-N 3.46Å; P216-A219 WeakPolarHBondContact O-CB 3.22Å; P216-A219 PolarHBondContact O-N 3.49Å; A217-A219 VanDerWaalsContact C-N 3.34Å; A217-A219 PolarHBondContact O-N 3.4Å; A219-L221 PolarHBondContact O-N 2.93Å; A219-I222 PolarHBondContact O-N 2.95Å; A219-V223 WeakPolarHBondContact O-CG2 3.44Å; A219-V223 PolarHBondContact O-N 3.42Å
220F81.2Confident76.4Confident144 Ų14495 Ų9563%0.63254%0.54SS*.Hα-helixtrans-61.8-41.6174.9-79.9-68000112.7P216 A217 I222 V223 M224P216-F220 WeakPolarHBondContact O-CD2 3.21Å; P216-F220 PolarHBondContact O-N 2.83Å; A217-F220 PolarHBondContact O-N 3.48Å; F220-I222 PolarHBondContact O-N 3.43Å; F220-V223 PolarHBondContact O-N 2.74Å; F220-M224 WeakPolarHBondContact O-CG 3.44Å; F220-M224 PolarHBondContact O-N 3.4Å
221L86.4Confident78.6Confident121 Ų12195 Ų9563%0.63453%0.532SS*.Hα-helixtrans-62.7-40.4176.1-69.5174.3000112.2A217 F218 A219 M224 L225A217-L221 WeakPolarHBondContact O-CG 3.41Å; A217-L221 PolarHBondContact O-N 3.3Å; A217-L221 VanDerWaalsContact O-N 3.08Å; F218-L221 PolarHBondContact O-N 3.02Å; A219-L221 PolarHBondContact O-N 2.93Å; L221-M224 PolarHBondContact O-N 3.12Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.48Å
222I87.5Confident80.6Confident73 Ų7393.5 Ų93.537%0.37452%0.518SS..Hα-helixtrans-62.9-44.9174.5-71.8169.6000111.3F218 A219 F220 M224 L225 I226F218-I222 HydrophobicContact CD1-CD1 3.79Å; F218-I222 HydrophobicContact CE1-CD1 3.52Å; F218-I222 HydrophobicContact CE1-CG1 4.49Å; F218-I222 HydrophobicContact CG-CD1 4.47Å; F218-I222 HydrophobicContact CZ-CD1 3.98Å; F218-I222 WeakPolarHBondContact O-CG1 3.47Å; F218-I222 PolarHBondContact O-N 3.31Å; A219-I222 PolarHBondContact O-N 2.95Å; F220-I222 PolarHBondContact O-N 3.43Å; I222-M224 PolarHBondContact O-N 2.98Å; I222-L225 PolarHBondContact O-N 3.48Å; I222-I226 HydrophobicContact CG2-CD1 3.75Å; I222-I226 HydrophobicContact CG2-CG1 4.45Å; I222-I226 VanDerWaalsContact O-CG1 3.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.49Å; I222-I226 PolarHBondContact O-N 3.31Å
223V88.1Confident82.3Confident88 Ų8891.7 Ų91.753%0.53351%0.507SS..Hα-helixtrans-62-43.5178171.20000111.2A219 F220 I226 M227A219-V223 WeakPolarHBondContact O-CG2 3.44Å; A219-V223 PolarHBondContact O-N 3.42Å; F220-V223 PolarHBondContact O-N 2.74Å; V223-I226 PolarHBondContact O-N 3.38Å; V223-M227 WeakPolarHBondContact O-CB 3.43Å; V223-M227 PolarHBondContact O-N 2.88Å
224M88.6Confident84Confident103 Ų10394.3 Ų94.351%0.50750%0.503SS..Hα-helixtrans-65.2-39.9176.7-70.8-64.2152.200112.4F220 L221 I222 M227 F228F220-M224 WeakPolarHBondContact O-CG 3.44Å; F220-M224 PolarHBondContact O-N 3.4Å; L221-M224 PolarHBondContact O-N 3.12Å; I222-M224 PolarHBondContact O-N 2.98Å; M224-M227 PolarHBondContact O-N 3.37Å; M224-M227 HydrophobicContact SD-CE 3.65Å; M224-F228 WeakPolarHBondContact O-CB 3.48Å; M224-F228 PolarHBondContact O-N 2.88Å
225L91.1Very high85.4Confident103 Ų10393.4 Ų93.454%0.53950%0.496SS..Hα-helixtrans-63.6-44.2175.2-178.463.6000111.9L221 I222 F228 I229L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.48Å; I222-L225 PolarHBondContact O-N 3.48Å; L225-F228 PolarHBondContact O-N 2.86Å; L225-I229 HydrophobicContact CD1-CD1 4.12Å; L225-I229 HydrophobicContact CD1-CG1 4.48Å; L225-I229 HydrophobicContact CG-CD1 3.97Å; L225-I229 VanDerWaalsContact O-CG1 3.26Å; L225-I229 WeakPolarHBondContact O-CG1 3.44Å; L225-I229 PolarHBondContact O-N 3.35Å
226I91.6Very high86.6Confident76 Ų7695.7 Ų95.739%0.3950%0.498SS..Hα-helixtrans-61.8-45.7175.5-69.2167.3000110.3I222 V223 I229 T230I222-I226 HydrophobicContact CG2-CD1 3.75Å; I222-I226 HydrophobicContact CG2-CG1 4.45Å; I222-I226 VanDerWaalsContact O-CG1 3.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.49Å; I222-I226 PolarHBondContact O-N 3.31Å; V223-I226 PolarHBondContact O-N 3.38Å; I226-I229 PolarHBondContact O-N 3.23Å; I226-T230 WeakPolarHBondContact O-CG2 3.34Å; I226-T230 PolarHBondContact O-N 2.95Å; I226-T230 PolarHBondContact O-OG1 3.47Å
227M91.1Very high87.3Confident94 Ų9499.5 Ų99.546%0.46350%0.503SS..Hα-helixtrans-58-50.7176.2-174-177.570.200111V223 M224 I229 T230 I231V223-M227 WeakPolarHBondContact O-CB 3.43Å; V223-M227 PolarHBondContact O-N 2.88Å; M224-M227 PolarHBondContact O-N 3.37Å; M224-M227 HydrophobicContact SD-CE 3.65Å; M227-I229 PolarHBondContact O-N 3.31Å; M227-T230 PolarHBondContact O-N 2.83Å; M227-T230 VanDerWaalsContact O-N 3.12Å; M227-T230 PolarHBondContact O-OG1 3Å; M227-I231 HydrophobicContact CG-CD1 3.96Å; M227-I231 WeakPolarHBondContact O-CG1 3.3Å; M227-I231 PolarHBondContact O-N 3.19Å
228F93.4Very high87.8Confident133 Ų133103.5 Ų103.558%0.58351%0.507SS*.Hα-helixtrans-57-46.6178.1-176.6-102.6000112.3M224 L225 T230 I231 V232M224-F228 WeakPolarHBondContact O-CB 3.48Å; M224-F228 PolarHBondContact O-N 2.88Å; L225-F228 PolarHBondContact O-N 2.86Å; F228-T230 VanDerWaalsContact C-N 3.33Å; F228-T230 PolarHBondContact O-N 3.3Å; F228-I231 PolarHBondContact O-N 3.49Å; F228-V232 HydrophobicContact CD1-CG2 4.2Å; F228-V232 HydrophobicContact CE1-CG2 3.83Å; F228-V232 HydrophobicContact CE2-CG2 4.25Å; F228-V232 HydrophobicContact CZ-CG2 3.85Å; F228-V232 WeakPolarHBondContact O-CG2 3.34Å; F228-V232 PolarHBondContact O-N 3.12Å
229I92.3Very high87.6Confident89 Ų89101.9 Ų101.946%0.45650%0.502SS..Hα-helixtrans-60.4-41.3176.7-69.1165.9000111.2L225 I226 M227 V232 V233L225-I229 HydrophobicContact CD1-CD1 4.12Å; L225-I229 HydrophobicContact CD1-CG1 4.48Å; L225-I229 HydrophobicContact CG-CD1 3.97Å; L225-I229 VanDerWaalsContact O-CG1 3.26Å; L225-I229 WeakPolarHBondContact O-CG1 3.44Å; L225-I229 PolarHBondContact O-N 3.35Å; I226-I229 PolarHBondContact O-N 3.23Å; M227-I229 PolarHBondContact O-N 3.31Å; I229-V232 PolarHBondContact O-N 3.44Å; I229-V233 HydrophobicContact CG2-CG2 4.33Å; I229-V233 WeakPolarHBondContact O-CB 3.34Å; I229-V233 VanDerWaalsContact O-CG2 3.29Å; I229-V233 WeakPolarHBondContact O-CG2 3.39Å; I229-V233 PolarHBondContact O-N 3.2Å
230T90.4Very high87Confident82 Ų82101.4 Ų101.450%0.50350%0.496SS..Hα-helixtrans-66.1-37.8176.559.60000113I226 M227 F228 Y234I226-T230 WeakPolarHBondContact O-CG2 3.34Å; I226-T230 PolarHBondContact O-N 2.95Å; I226-T230 PolarHBondContact O-OG1 3.47Å; M227-T230 PolarHBondContact O-N 2.83Å; M227-T230 VanDerWaalsContact O-N 3.12Å; M227-T230 PolarHBondContact O-OG1 3Å; F228-T230 VanDerWaalsContact C-N 3.33Å; F228-T230 PolarHBondContact O-N 3.3Å; T230-Y234 WeakPolarHBondContact O-CB 3.29Å; T230-Y234 PolarHBondContact O-N 3.42Å
231I92.3Very high86.1Confident91 Ų91101.5 Ų101.547%0.46750%0.496SS..Hα-helixtrans-64.2-47.3174.7-67.3165.8000110.5M227 F228 Y234 A235M227-I231 HydrophobicContact CG-CD1 3.96Å; M227-I231 WeakPolarHBondContact O-CG1 3.3Å; M227-I231 PolarHBondContact O-N 3.19Å; F228-I231 PolarHBondContact O-N 3.49Å; I231-Y234 PolarHBondContact O-N 3.24Å; I231-A235 WeakPolarHBondContact O-CB 3.46Å; I231-A235 PolarHBondContact O-N 2.87Å
232V92.9Very high84.8Confident71 Ų71102.7 Ų102.743%0.4349%0.492SS..Hα-helixtrans-62.9-44.8178.2172.60000111.3F228 I229 Y234 A235 Y236F228-V232 HydrophobicContact CD1-CG2 4.2Å; F228-V232 HydrophobicContact CE1-CG2 3.83Å; F228-V232 HydrophobicContact CE2-CG2 4.25Å; F228-V232 HydrophobicContact CZ-CG2 3.85Å; F228-V232 WeakPolarHBondContact O-CG2 3.34Å; F228-V232 PolarHBondContact O-N 3.12Å; I229-V232 PolarHBondContact O-N 3.44Å; V232-Y234 PolarHBondContact O-N 3.14Å; V232-A235 PolarHBondContact O-N 3.4Å; V232-Y236 VanDerWaalsContact O-CB 3.29Å; V232-Y236 WeakPolarHBondContact O-CB 3.26Å; V232-Y236 PolarHBondContact O-N 3.04Å
233V91.1Very high83.4Confident61 Ų61102.1 Ų102.137%0.3749%0.494SS..Hα-helixtrans-66.8-35.6177.2170.90000111.9I229 R237I229-V233 HydrophobicContact CG2-CG2 4.33Å; I229-V233 WeakPolarHBondContact O-CB 3.34Å; I229-V233 VanDerWaalsContact O-CG2 3.29Å; I229-V233 WeakPolarHBondContact O-CG2 3.39Å; I229-V233 PolarHBondContact O-N 3.2Å; V233-R237 WeakPolarHBondContact O-CB 3.5Å; V233-R237 WeakPolarHBondContact O-CG 3.32Å; V233-R237 PolarHBondContact O-N 2.8Å
234Y89.3Confident81.8Confident151 Ų151102.4 Ų102.459%0.59249%0.493SS*.Hα-helixtrans-67-46.8173.8174.4-101000111.7T230 I231 V232 R237 R238T230-Y234 WeakPolarHBondContact O-CB 3.29Å; T230-Y234 PolarHBondContact O-N 3.42Å; I231-Y234 PolarHBondContact O-N 3.24Å; V232-Y234 PolarHBondContact O-N 3.14Å; Y234-R237 PolarHBondContact O-N 2.8Å; Y234-R238 VanDerWaalsContact O-CB 3.29Å; Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 3.49Å
235A86.9Confident80.2Confident45 Ų45102.3 Ų102.337%0.37250%0.495SS..Hα-helixtrans-60.8-47.9176.100000111.2I231 V232 R237 R238 M239I231-A235 WeakPolarHBondContact O-CB 3.46Å; I231-A235 PolarHBondContact O-N 2.87Å; V232-A235 PolarHBondContact O-N 3.4Å; A235-R237 PolarHBondContact O-N 3.07Å; A235-R238 PolarHBondContact O-N 3Å; A235-R238 VanDerWaalsContact O-N 3.17Å; A235-M239 WeakPolarHBondContact O-CB 3.29Å; A235-M239 WeakPolarHBondContact O-CG 3.41Å; A235-M239 PolarHBondContact O-N 2.99Å
236Y85.6Confident78.3Confident169 Ų169103.5 Ų103.566%0.66350%0.499SS*.Hα-helixtrans-58.9-44.9176.2-176.1-95000111.9V232 R238 M239 S240V232-Y236 VanDerWaalsContact O-CB 3.29Å; V232-Y236 WeakPolarHBondContact O-CB 3.26Å; V232-Y236 PolarHBondContact O-N 3.04Å; Y236-R238 PolarHBondContact O-N 3.47Å; Y236-M239 PolarHBondContact O-N 3.35Å; Y236-S240 WeakPolarHBondContact O-CB 3.49Å; Y236-S240 PolarHBondContact O-N 3.11Å
237R81.6Confident76.6Confident150 Ų150104.3 Ų104.357%0.56651%0.507SS*.Hα-helixtrans-65.5-36.7175.2-79.1179.3153.6-129-15113.3V233 Y234 A235 M239 K241V233-R237 WeakPolarHBondContact O-CB 3.5Å; V233-R237 WeakPolarHBondContact O-CG 3.32Å; V233-R237 PolarHBondContact O-N 2.8Å; Y234-R237 PolarHBondContact O-N 2.8Å; A235-R237 PolarHBondContact O-N 3.07Å; R237-M239 VanDerWaalsContact C-N 3.34Å; R237-K241 WeakPolarHBondContact O-CB 3.37Å; R237-K241 PolarHBondContact O-N 3Å; R237-K241 VanDerWaalsContact O-N 3.08Å
238R84.3Confident74.7Confident138 Ų138107.8 Ų107.852%0.52152%0.517SS..Hα-helixtrans-69.4-32.2176.5-173.4176.5-177-1771.3112.1Y234 A235 Y236Y234-R238 VanDerWaalsContact O-CB 3.29Å; Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 3.49Å; A235-R238 PolarHBondContact O-N 3Å; A235-R238 VanDerWaalsContact O-N 3.17Å; Y236-R238 PolarHBondContact O-N 3.47Å
239M72.7Confident72.8Confident105 Ų105105.7 Ų105.752%0.51752%0.515SS..Hα-helixtrans-79-47.6174.4-67.4-61.1-7700111.3A235 Y236 R237 K241 R242 S243A235-M239 WeakPolarHBondContact O-CB 3.29Å; A235-M239 WeakPolarHBondContact O-CG 3.41Å; A235-M239 PolarHBondContact O-N 2.99Å; Y236-M239 PolarHBondContact O-N 3.35Å; R237-M239 VanDerWaalsContact C-N 3.34Å; M239-K241 VanDerWaalsContact C-N 3.29Å; M239-K241 PolarHBondContact O-N 3.24Å; M239-R242 CarbonylContact O-C 3.55Å; M239-R242 WeakPolarHBondContact O-CA 3.15Å; M239-R242 WeakPolarHBondContact O-CB 3.35Å; M239-R242 PolarHBondContact O-N 3.47Å; M239-S243 PolarHBondContact O-N 3.32Å; M239-S243 PolarHBondContact O-OG 2.94Å
240S69Low70.7Confident42 Ų42107.9 Ų107.929%0.29453%0.525SS..Hα-helixtrans-49.5-49.3173.4-175.20000111.3Y236 R242 S243 D244Y236-S240 WeakPolarHBondContact O-CB 3.49Å; Y236-S240 PolarHBondContact O-N 3.11Å; S240-R242 PolarHBondContact O-N 3.45Å; S240-R242 VanDerWaalsContact O-N 3.16Å; S240-S243 CarbonylContact O-C 3.51Å; S240-S243 WeakPolarHBondContact O-CA 3.29Å; S240-S243 VanDerWaalsContact O-CB 3.29Å; S240-S243 WeakPolarHBondContact O-CB 3.38Å; S240-S243 PolarHBondContact O-N 2.93Å; S240-D244 PolarHBondContact O-N 3.08Å; S240-D244 PolarHBondContact OG-OD2 2.95Å
241K62.4Low68.8Low147 Ų147107.8 Ų107.864%0.63953%0.527SS*.Hα-helixtrans-59.4-32179.1-169.6174.4-179.3-175.40113.3R237 M239 D245R237-K241 WeakPolarHBondContact O-CB 3.37Å; R237-K241 PolarHBondContact O-N 3Å; R237-K241 VanDerWaalsContact O-N 3.08Å; M239-K241 VanDerWaalsContact C-N 3.29Å; M239-K241 PolarHBondContact O-N 3.24Å; K241-D245 PolarHBondContact O-N 3.48Å
242R59Low66.9Low145 Ų145110.7 Ų110.755%0.54754%0.538SS..Hα-helixtrans-75.4-37.1172-69.1167.9162.9172.6-10.6112.1M239 S240 D244 M246M239-R242 CarbonylContact O-C 3.55Å; M239-R242 WeakPolarHBondContact O-CA 3.15Å; M239-R242 WeakPolarHBondContact O-CB 3.35Å; M239-R242 PolarHBondContact O-N 3.47Å; S240-R242 PolarHBondContact O-N 3.45Å; S240-R242 VanDerWaalsContact O-N 3.16Å; R242-D244 VanDerWaalsContact C-N 3.31Å; R242-M246 WeakPolarHBondContact O-CB 3.4Å; R242-M246 PolarHBondContact O-N 3.06Å
243S57.8Low64.6Low61 Ų61115 Ų11543%0.42756%0.556SS.*Hα-helixtrans-62.3-38.7173.8-56.50000111.7M239 S240 M246 T247M239-S243 PolarHBondContact O-N 3.32Å; M239-S243 PolarHBondContact O-OG 2.94Å; S240-S243 CarbonylContact O-C 3.51Å; S240-S243 WeakPolarHBondContact O-CA 3.29Å; S240-S243 VanDerWaalsContact O-CB 3.29Å; S240-S243 WeakPolarHBondContact O-CB 3.38Å; S240-S243 PolarHBondContact O-N 2.93Å; S243-M246 PolarHBondContact O-N 3.04Å; S243-T247 VanDerWaalsContact O-CB 3.28Å; S243-T247 WeakPolarHBondContact O-CB 3.43Å; S243-T247 PolarHBondContact O-N 2.92Å; S243-T247 PolarHBondContact O-OG1 3.35Å
244D54.7Low62.4Low94 Ų94116.9 Ų116.950%0.50357%0.571SS.*Hα-helixtrans-65.7-50.4178.1-59.4-42.4000110.4S240 R242 M246 T247 Y248S240-D244 PolarHBondContact O-N 3.08Å; S240-D244 PolarHBondContact OG-OD2 2.95Å; R242-D244 VanDerWaalsContact C-N 3.31Å; D244-M246 PolarHBondContact O-N 3.39Å; D244-T247 PolarHBondContact O-N 2.97Å; D244-Y248 WeakPolarHBondContact O-CB 3.49Å; D244-Y248 PolarHBondContact O-N 3.36Å
245D54Low60.5Low102 Ų102114.6 Ų114.655%0.54557%0.574SS.*Hα-helixtrans-60.8-40.6174.9-69.6-28.9000112.3K241 T249K241-D245 PolarHBondContact O-N 3.48Å; D245-T249 PolarHBondContact O-N 3.45Å; D245-T249 VanDerWaalsContact O-N 3.08Å; D245-T249 PolarHBondContact O-OG1 3.27Å
246M52.8Low58.8Low128 Ų128118.4 Ų118.463%0.63160%0.595SS**Hα-helixtrans-68.6-39.1177.2-179.1174.9169.300112.6R242 S243 D244 T249 M250R242-M246 WeakPolarHBondContact O-CB 3.4Å; R242-M246 PolarHBondContact O-N 3.06Å; S243-M246 PolarHBondContact O-N 3.04Å; D244-M246 PolarHBondContact O-N 3.39Å; M246-T249 WeakPolarHBondContact CA-OG1 3.28Å; M246-T249 PolarHBondContact O-OG1 2.78Å; M246-T249 VanDerWaalsContact O-OG1 3.05Å; M246-M250 VanDerWaalsContact O-CB 3.24Å; M246-M250 WeakPolarHBondContact O-CB 3.24Å; M246-M250 PolarHBondContact O-N 2.98Å
247T55.3Low56.9Low92 Ų92118.5 Ų118.556%0.56460%0.602SS**Hα-helixtrans-71.5-38.2177.8-53.80000110.9S243 D244 M250 S251S243-T247 VanDerWaalsContact O-CB 3.28Å; S243-T247 WeakPolarHBondContact O-CB 3.43Å; S243-T247 PolarHBondContact O-N 2.92Å; S243-T247 PolarHBondContact O-OG1 3.35Å; D244-T247 PolarHBondContact O-N 2.97Å; T247-M250 PolarHBondContact O-N 2.91Å; T247-S251 WeakPolarHBondContact O-CB 3.44Å; T247-S251 PolarHBondContact O-N 2.83Å; T247-S251 PolarHBondContact O-OG 3.33Å
248Y51Low55.3Low168 Ų168115.5 Ų115.566%0.65961%0.609SS**Hα-helixtrans-60.8-49.4175-168.5-101.5000111.1D244 M250 S251 H252D244-Y248 WeakPolarHBondContact O-CB 3.49Å; D244-Y248 PolarHBondContact O-N 3.36Å; Y248-M250 PolarHBondContact O-N 3.39Å; Y248-S251 PolarHBondContact O-N 3.44Å; Y248-S251 PolarHBondContact O-OG 2.85Å; Y248-H252 PolarHBondContact O-N 2.91Å
249T52.8Low53.5Low88 Ų88118.4 Ų118.454%0.5463%0.626SS.*Hα-helixtrans-65.2-37.3176.645.60000113.3D245 M246 H252D245-T249 PolarHBondContact O-N 3.45Å; D245-T249 VanDerWaalsContact O-N 3.08Å; D245-T249 PolarHBondContact O-OG1 3.27Å; M246-T249 WeakPolarHBondContact CA-OG1 3.28Å; M246-T249 PolarHBondContact O-OG1 2.78Å; M246-T249 VanDerWaalsContact O-OG1 3.05Å; T249-H252 PolarHBondContact O-N 3.08Å
250M47.9Very low52.2Low136 Ų136120.5 Ų120.567%0.6764%0.639SS**Hα-helixtrans-68.6-36.9176-172.2172.8173.400112.8M246 T247 Y248 H252 M253M246-M250 VanDerWaalsContact O-CB 3.24Å; M246-M250 WeakPolarHBondContact O-CB 3.24Å; M246-M250 PolarHBondContact O-N 2.98Å; T247-M250 PolarHBondContact O-N 2.91Å; Y248-M250 PolarHBondContact O-N 3.39Å; M250-H252 PolarHBondContact O-N 3.49Å; M250-M253 PolarHBondContact O-N 3.17Å
251S52.2Low51.2Low80 Ų80124.9 Ų124.956%0.55966%0.664SS**Hα-helixtrans-64.3-23.3174.870.10000113.6T247 Y248T247-S251 WeakPolarHBondContact O-CB 3.44Å; T247-S251 PolarHBondContact O-N 2.83Å; T247-S251 PolarHBondContact O-OG 3.33Å; Y248-S251 PolarHBondContact O-N 3.44Å; Y248-S251 PolarHBondContact O-OG 2.85Å
252H50.9Low50.2Low151 Ų151126.1 Ų126.170%0.69968%0.676SS**THydrogen-bonded Turntrans-91.12.5-177.3-142.4-57.3000113.6Y248 T249 M250Y248-H252 PolarHBondContact O-N 2.91Å; T249-H252 PolarHBondContact O-N 3.08Å; M250-H252 PolarHBondContact O-N 3.49Å
253M45.4Very low49.4Very low161 Ų161129 Ų12979%0.79369%0.693SS**THydrogen-bonded Turntrans-102-3.6-180-76.5-74.4170.900114.2M250 P255M250-M253 PolarHBondContact O-N 3.17Å; M253-P255 WeakPolarHBondContact O-CD 3.48Å
254C45.7Very low49Very low102 Ų102131.6 Ų131.669%0.68971%0.706SS**SBendtrans-85.7118.3171.2-74.90000110.6
255P49.2Very low48.5Very low102 Ų102133 Ų13366%0.66272%0.721SS**  trans-72.1131.6177.928.6-33.7000111.4M253 E257M253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-E257 PolarHBondContact O-N 3.43Å
256P50.5Low48.1Very low125 Ų125134.8 Ų134.881%0.81273%0.73SS**THydrogen-bonded Turntrans-8240.5-171.834.8-38.1000114.5
257E45.7Very low48Very low172 Ų172133 Ų13380%0.80474%0.744SS**THydrogen-bonded Turntrans-119-2.8-177-63.8-158.714800115.2P255 F259P255-E257 PolarHBondContact O-N 3.43Å; E257-F259 PolarHBondContact O-N 3.34Å
258A47.2Very low47.3Very low86 Ų86139.4 Ų139.471%0.71176%0.758SS**SBendtrans-76.9-15-173.400000116.2
259F46.8Very low46.9Very low199 Ų199140.4 Ų140.487%0.87377%0.768SS**SBendtrans-137.760-172.4-86.8-81.3000113.7E257E257-F259 PolarHBondContact O-N 3.34Å
260N45.9Very low46.7Very low149 Ų149142.9 Ų142.980%0.79778%0.777SS**  trans-143.131.9171.3-94.7-46.5000114.2
261V48.9Very low46.3Very low135 Ų135142.1 Ų142.182%0.81878%0.782SS**  trans-124.870.5178-165.60000112.6
262L40.2Very low45.8Very low172 Ų172143.9 Ų143.990%0.90179%0.789SS**  trans-140.185.9154.4-98.4134.9000108.2T264L262-T264 PolarHBondContact O-N 3.33Å
263K42.7Very low45.5Very low207 Ų207145.8 Ų145.890%0.980%0.798SS**  trans-70.3110.8174.5-77.8-179.7174.8175.60109.8
264T48.7Very low45.1Very low114 Ų114146.3 Ų146.370%0.69980%0.798SS**  trans-78.5146.1155.450.50000109.2L262 N266L262-T264 PolarHBondContact O-N 3.33Å; T264-N266 PolarHBondContact O-N 3.44Å; T264-N266 VanDerWaalsContact O-N 3.11Å
265P44.1Very low44.7Very low125 Ų125149.3 Ų149.381%0.81281%0.806SS**SBendtrans-78.45.7-165.130.3-36.8000115.5
266N47.2Very low44.1Very low139 Ų139149.6 Ų149.674%0.74381%0.808SS**SBendtrans-124.5105.8177.6-76.4-52.5000109.5T264 R268T264-N266 PolarHBondContact O-N 3.44Å; T264-N266 VanDerWaalsContact O-N 3.11Å; N266-R268 PolarHBondContact O-N 2.94Å
267G49.8Very low43.2Very low89 Ų89148.8 Ų148.892%0.91881%0.805SS**  trans-69.288.7-168.100000114.6
268R41.5Very low42.4Very low228 Ų228147.3 Ų147.386%0.8681%0.812SS**  trans-130.6103172-168.5175.7-172.6175.72.6110.3N266 I270N266-R268 PolarHBondContact O-N 2.94Å; R268-I270 PolarHBondContact O-N 2.8Å
269H42.3Very low41.6Very low189 Ų189148 Ų14888%0.87581%0.812SS**  trans-62.3133173.6-82.9-94.2000110.9
270I47Very low40.9Very low139 Ų139149.3 Ų149.371%0.71381%0.813SS**  trans-102.3116.4170.3-57.8175.3000107.2R268 V272R268-I270 PolarHBondContact O-N 2.8Å; I270-V272 HydrophobicContact CG2-CG2 3.96Å; I270-V272 PolarHBondContact O-N 2.86Å; I270-V272 VanDerWaalsContact O-N 3.1Å
271P40.9Very low40.1Very low121 Ų121148.1 Ų148.179%0.78681%0.811SS**  trans-78.992.517930.7-33.4000110.9H273P271-H273 PolarHBondContact O-N 2.92Å; P271-H273 VanDerWaalsContact O-N 3.09Å
272V40.9Very low39.5Very low117 Ų117148.7 Ų148.771%0.70981%0.808SS**  trans-84.579179.1-171.80000111I270I270-V272 HydrophobicContact CG2-CG2 3.96Å; I270-V272 PolarHBondContact O-N 2.86Å; I270-V272 VanDerWaalsContact O-N 3.1Å
273H44.7Very low39.2Very low191 Ų191146 Ų14688%0.88480%0.801SS**  trans-120.355.8164.4-96.3-58.3000110.9P271P271-H273 PolarHBondContact O-N 2.92Å; P271-H273 VanDerWaalsContact O-N 3.09Å
274Q37.5Very low38.7Very low171 Ų171142.7 Ų142.780%0.79980%0.798SS**  trans-139.492.1169.4-70.1-167.3-1.300111.4
275I36.1Very low38.2Very low166 Ų166143.8 Ų143.885%0.85181%0.807SS**  trans-130.594150.9-57.2-179.3000106.4
276P38.1Very low37.6Very low107 Ų107141.1 Ų141.170%0.69580%0.802SS**  trans-67139.5172.3-17.732000110.5C278P276-C278 PolarHBondContact O-N 3.16Å
277S31.3Very low36.8Very low109 Ų109141.3 Ų141.376%0.76281%0.809SS**  trans-63.6124.9168.853.30000110.2S279S277-S279 PolarHBondContact O-N 2.9Å
278C28.3Very low36.1Very low140 Ų140143.2 Ų143.295%0.94680%0.802SS**  trans-63.597.2-176.9-60.40000112.8P276P276-C278 PolarHBondContact O-N 3.16Å
279S30.1Very low36.7Very low102 Ų102137.9 Ų137.971%0.71380%0.797SS**  trans-94.2121.8162.449.50000109.8S277 T281S277-S279 PolarHBondContact O-N 2.9Å; S279-T281 PolarHBondContact O-N 2.91Å
280Y31.8Very low37Very low226 Ų226133.4 Ų133.489%0.88679%0.785SS**  trans-82.7105.5-174.2-161.3-86.5000110.5
281T31Very low36.3Very low123 Ų123133.7 Ų133.776%0.75579%0.788SS**  trans-138.8130.3176.3-38.80000110.6S279S279-T281 PolarHBondContact O-N 2.91Å
282I35.6Very low35.8Very low147 Ų147134.8 Ų134.875%0.75479%0.785SS**  trans-77.3136.7-179.4-62.4172.3000109.6
283P34.2Very low35.1Very low116 Ų116133.9 Ų133.975%0.75378%0.784SS**  trans-86.7147.5-172.933.4-36000114.3
284T31.9Very low34.5Very low138 Ų138129.7 Ų129.785%0.84778%0.776SS**  trans-132140.4155.942.20000109.5
285P37.8Very low34.2Very low136 Ų136128 Ų12888%0.88378%0.778SS**  trans-95.1146.6-171.535.6-34.5000113.8
286G31.3Very low34.6Very low69 Ų69126.1 Ų126.171%0.71178%0.777SS**  trans173.894.917000000117.9
287T31.2Very low34.1Very low144 Ų144124.7 Ų124.788%0.88378%0.781SS**  trans71.3149.4148.3-46.10000119.4
288V35.5Very low34.2Very low128 Ų128124.7 Ų124.778%0.77678%0.781SS**  trans-157.3155.7-165.3-1660000110.7
289P54.2Low34.3Very low116 Ų116129.5 Ų129.575%0.75378%0.78SS**  cis-104.4-91.5-40.130.2-10.6000110.1
290P48Very low34.9Very low95 Ų95131.6 Ų131.662%0.61778%0.781SS**  cis-122.8159.1-27.739.3-24.3000116.3
291N31.5Very low35.2Very low145 Ų145126.1 Ų126.178%0.77577%0.774SS**  trans61.6152.9153.9-69.4-6.2000119.6
292I30.3Very low35.2Very low144 Ų144125.7 Ų125.774%0.73877%0.771SS**  cis-158.4140.3-9.3-105161.7000104
293S27.9Very low35.3Very low98 Ų98128.8 Ų128.869%0.68577%0.773SS**  179.6157.369.9-1640000114.1
294S30.9Very low35.2Very low103 Ų103132.1 Ų132.172%0.7278%0.779SS**  trans41.6131.6143.3600000124.1
295T32.4Very low35.4Very low135 Ų135132.6 Ų132.683%0.82877%0.771SS**  trans-95.5-155.5168.148.40000112.1
296P44.5Very low35.1Very low127 Ų127131 Ų13183%0.82577%0.77SS**  -120.2173-83.638.1-23.2000114
297G27.2Very low35.6Very low77 Ų77135.1 Ų135.179%0.79477%0.774SS**  trans-140.5115.9176.100000114
298S32.4Very low35.9Very low109 Ų109139.3 Ų139.376%0.76277%0.773SS**  trans-75.1140.9-179.9-178.80000112.9
299R31.3Very low36Very low241 Ų241139.3 Ų139.391%0.90977%0.769SS**  trans-138.9109.4159.6-81.3-166.6173.9-176-0.9111.7
300I42.4Very low35.2Very low146 Ų146140.9 Ų140.975%0.74977%0.771SS**  trans-80.8137.4157.9-62.1165.3000108
301P37.6Very low34.7Very low112 Ų112144.8 Ų144.873%0.72778%0.781SS**  trans-120.7113.3140.932.6-23.9000109.1
302T31.8Very low35.1Very low114 Ų114144.8 Ų144.870%0.69978%0.777SS**  6997.582.6-54.60000112.2Q304T302-Q304 PolarHBondContact O-N 3.19Å
303R36.8Very low35.5Very low211 Ų211141.5 Ų141.580%0.79677%0.771SS**  trans-59119.2175.3175.3-173.1-176.6-178.91111.5
304Q31.5Very low36Very low186 Ų186147.4 Ų147.487%0.86978%0.778SS**  trans-107.9134.7158.8-75.6-171.6-18.600109.8T302T302-Q304 PolarHBondContact O-N 3.19Å
305Q37.1Very low36.5Very low148 Ų148148.6 Ų148.669%0.69278%0.776SS**  trans-94.2127.6169.6-72.5171.4-91.900109.1
306A31.3Very low37Very low104 Ų104146.9 Ų146.986%0.8676%0.762SS**  trans-120.890.2168.100000108.8R308A306-R308 PolarHBondContact O-N 3.08Å
307I42Very low36.8Very low155 Ų155149.5 Ų149.580%0.79576%0.761SS**  trans-79.7114.5169.9-61.3173.2000107.2
308R37.2Very low37.4Very low231 Ų231154.6 Ų154.687%0.87276%0.761SS**  trans-155.2126.8166.3-114.5172.6-174.1-179.61.2112.6A306A306-R308 PolarHBondContact O-N 3.08Å
309N37Very low37.6Very low128 Ų128152.6 Ų152.668%0.68475%0.748SS**  trans31.2100.3158.8-58.121.1000118.3
310N38.1Very low37.9Very low149 Ų149147 Ų14780%0.79774%0.735SS**SBendtrans-11315.6167.1-165.232000113.8
311E37.2Very low37.7Very low177 Ų177147.8 Ų147.883%0.82774%0.739SS**SBendtrans-101.1-28.5-178.9-63.8-175.9131.200112.6A313E311-A313 VanDerWaalsContact C-N 3.29Å; E311-A313 PolarHBondContact O-N 3.05Å
312Q39.8Very low37.9Very low146 Ų146153.3 Ų153.368%0.68275%0.746SS**THydrogen-bonded Turntrans-79.5-6.5-171.6-151.1161.511.800114.3
313A38.2Very low38.1Very low74 Ų74152.7 Ų152.761%0.61275%0.746SS**THydrogen-bonded Turntrans-85.2-17.6178.500000113.8E311E311-A313 VanDerWaalsContact C-N 3.29Å; E311-A313 PolarHBondContact O-N 3.05Å
314R39.5Very low38.2Very low222 Ų222151.9 Ų151.984%0.83875%0.751SS**SBendtrans-82.8-16.3-167.2-153.5168.2-177170.6-1.8114.6
315N41.4Very low38.3Very low128 Ų128146.7 Ų146.768%0.68475%0.747SS**SBendtrans-94.7-11.9-176.2-65.7-4.5000113.9F317N315-F317 VanDerWaalsContact C-N 3.29Å; N315-F317 PolarHBondContact O-N 2.86Å
316N41.9Very low38Very low100 Ų100146.6 Ų146.654%0.53576%0.757SS.*THydrogen-bonded Turntrans-82.82-172.1-65.1-21.5000114.7S319N316-S319 PolarHBondContact O-OG 2.95Å
317F40.9Very low38.1Very low182 Ų182148.9 Ų148.980%0.79875%0.753SS**THydrogen-bonded Turntrans-87.9-19.9177.4-124-87.6000113.5N315N315-F317 VanDerWaalsContact C-N 3.29Å; N315-F317 PolarHBondContact O-N 2.86Å
318F39.8Very low37.7Very low183 Ų183147.4 Ų147.480%0.80375%0.754SS**SBendtrans-96.5-6178.8-75.4-76.4000114.2
319S36.4Very low37.4Very low68 Ų68142 Ų14248%0.47675%0.751SS.*SBendtrans-84.2-21.1178.549.60000114.1N316N316-S319 PolarHBondContact O-OG 2.95Å
320I38.3Very low37.3Very low124 Ų124147.2 Ų147.264%0.63676%0.761SS**G310 helixtrans-78.5-23.6-172.4-62.2176.4000112.5R322 S323I320-R322 PolarHBondContact O-N 3.31Å; I320-S323 PolarHBondContact O-OG 2.89Å
321L38.5Very low37Very low162 Ų162145.5 Ų145.585%0.84876%0.761SS**G310 helixtrans-85.119.9178.2-69.2173.1000114
322R40.8Very low37Very low228 Ų228144.3 Ų144.386%0.8676%0.759SS**G310 helixtrans-129.314.9-171.6-140.6176.7-165.5160.34.5115.1I320I320-R322 PolarHBondContact O-N 3.31Å
323S35.8Very low36.6Very low100 Ų100143.4 Ų143.470%0.69976%0.759SS**SBendtrans-112.114.3-168.156.90000115.9I320I320-S323 PolarHBondContact O-OG 2.89Å
324Q39.6Very low36.6Very low195 Ų195147.5 Ų147.591%0.91177%0.77SS**SBendtrans-130.1135.1165.9-63.7-160.815.300110.6
325G32.8Very low36.6Very low76 Ų76144 Ų14478%0.78477%0.768SS**  trans98.848173.400000116.9I327G325-I327 PolarHBondContact O-N 3.08Å
326T30.8Very low36.5Very low146 Ų146145.2 Ų145.290%0.89678%0.775SS**  trans-76.5103.7168.747.50000111.9
327I34.6Very low36.3Very low153 Ų153146.1 Ų146.179%0.78578%0.784SS**  trans-85.6136.4162.3-62.3173.9000107.9G325 S329G325-I327 PolarHBondContact O-N 3.08Å; I327-S329 PolarHBondContact O-N 2.67Å; I327-S329 VanDerWaalsContact O-N 3.14Å
328P33.3Very low35.9Very low123 Ų123143.5 Ų143.580%0.79979%0.785SS**  trans-71.7107.9-175.727.6-34.5000112.3R330P328-R330 PolarHBondContact O-N 2.81Å
329S31.9Very low35.9Very low117 Ų117144.3 Ų144.382%0.81879%0.788SS**  trans-70.9114.3170.752.80000110.8I327I327-S329 PolarHBondContact O-N 2.67Å; I327-S329 VanDerWaalsContact O-N 3.14Å
330R33.4Very low36Very low238 Ų238149.7 Ų149.790%0.89881%0.806SS**PPolyproline II helixtrans-66.3136.2162-77.5-174.9170.4-170.1-2.9109.1P328 I332P328-R330 PolarHBondContact O-N 2.81Å; R330-I332 PolarHBondContact O-N 3.48Å
331S33.3Very low35.6Very low113 Ų113155.2 Ų155.279%0.7982%0.82SS**PPolyproline II helixtrans-67.6124.4170.650.30000110.5
332I35.6Very low35.4Very low152 Ų152156.9 Ų156.978%0.77982%0.82SS**PPolyproline II helixtrans-95.6141.2160.9-70.4175.1000106.5R330R330-I332 PolarHBondContact O-N 3.48Å
333N31.3Very low35.2Very low128 Ų128151.7 Ų151.768%0.68482%0.819SS**PPolyproline II helixtrans-70.6137.2175.5-85.51.8000110.5D335N333-D335 VanDerWaalsContact C-N 3.26Å; N333-D335 PolarHBondContact O-N 2.73Å
334D39.4Very low34.9Very low160 Ų160153.3 Ų153.386%0.85683%0.825SS**THydrogen-bonded Turntrans-78.6-1.1178.7-74.8-59.1000114.3
335D39.2Very low34.7Very low148 Ų148149 Ų14979%0.79181%0.814SS**THydrogen-bonded Turntrans-82.5-15.5-172.6-74.4-58000115.5N333N333-D335 VanDerWaalsContact C-N 3.26Å; N333-D335 PolarHBondContact O-N 2.73Å
336D40.1Very low34.6Very low154 Ų154156.6 Ų156.682%0.82482%0.819SS**SBendtrans-110.746.4-168.2-100.1-41.6000114.6
337T36.7Very low34.5Very low118 Ų118155.7 Ų155.772%0.72481%0.813SS**  trans-134.9128.5166.554.60000114.2
338P33.1Very low34.3Very low128 Ų128156.7 Ų156.783%0.83181%0.814SS**  trans-78.1136.4-17930.3-34.3000113H340P338-H340 PolarHBondContact O-N 3.42Å
339K40.1Very low34.1Very low199 Ų199157.5 Ų157.587%0.86582%0.817SS**  trans-76.773.1-171.3-63.6175.4-179.5170.60114.8
340H37.3Very low34.1Very low181 Ų181156.8 Ų156.884%0.83881%0.811SS**  trans-139.890.7167-80.6-39.7000114.9P338P338-H340 PolarHBondContact O-N 3.42Å
341Y30.4Very low34Very low240 Ų240150.5 Ų150.594%0.94181%0.811SS**  trans-117.4111.6151.6-85.8-81.8000109.7
342K33.4Very low34.1Very low197 Ų197151.5 Ų151.586%0.85781%0.806SS**PPolyproline II helixtrans-70.1142.1160-86.2-179.7173.2176.80108.3V344K342-V344 PolarHBondContact O-N 3.38Å
343S37.5Very low33.8Very low120 Ų120151.2 Ų151.284%0.83981%0.806SS**PPolyproline II helixtrans-63.9118.9178.251.70000111.8
344V30.2Very low33.9Very low133 Ų133154.9 Ų154.981%0.80681%0.811SS**PPolyproline II helixtrans-84.7128.6163.9-178.10000107.9K342K342-V344 PolarHBondContact O-N 3.38Å
345P33.9Very low33.7Very low106 Ų106152.8 Ų152.869%0.68881%0.81SS**PPolyproline II helixtrans-69.5139.2178.128.7-34.1000111V347P345-V347 PolarHBondContact O-N 3.37Å
346R31.9Very low33.4Very low234 Ų234149 Ų14988%0.88381%0.805SS**PPolyproline II helixtrans-71.3117.7165.7-83.7-178.1164.1136.6-3.1108.9
347V28.1Very low33Very low128 Ų128149.8 Ų149.878%0.77680%0.803SS**  trans-83.9114162.8179.10000107.4P345P345-V347 PolarHBondContact O-N 3.37Å
348E30.5Very low33Very low173 Ų173150.4 Ų150.481%0.80880%0.801SS**  trans-83.3116.7172.5-63.4-173.4161.100108.8S350E348-S350 PolarHBondContact O-N 3.48Å
349V29.9Very low32.9Very low141 Ų141150 Ų15086%0.85579%0.792SS**  trans-80.798.1176.3-177.40000108.5
350S31.1Very low32.7Very low101 Ų101149.8 Ų149.871%0.70679%0.791SS**PPolyproline II helixtrans-69.5148.5171.650.40000111.2E348 I352E348-S350 PolarHBondContact O-N 3.48Å; S350-I352 PolarHBondContact O-N 2.88Å
351A30.6Very low32.4Very low107 Ų107145.9 Ų145.988%0.88478%0.784SS**PPolyproline II helixtrans-68.3124.9-174.500000112.1
352I34.9Very low32.7Very low134 Ų134140.7 Ų140.769%0.68778%0.778SS**PPolyproline II helixtrans-89.3124.1172-59.9178.7000109S350 Y354S350-I352 PolarHBondContact O-N 2.88Å; I352-Y354 HydrophobicContact CB-CE2 4.41Å; I352-Y354 HydrophobicContact CG2-CD2 3.91Å; I352-Y354 HydrophobicContact CG2-CE2 3.55Å
353N30.8Very low32.8Very low145 Ų145138.5 Ų138.578%0.77578%0.78SS**  trans-89.5106.5-178.5178.220.2000110.8
354Y32.5Very low32.4Very low205 Ų205137.7 Ų137.780%0.80478%0.775SS**  trans-94.995.2173-84.1-82.9000111.4I352I352-Y354 HydrophobicContact CB-CE2 4.41Å; I352-Y354 HydrophobicContact CG2-CD2 3.91Å; I352-Y354 HydrophobicContact CG2-CE2 3.55Å
355S36.4Very low32.5Very low117 Ų117142.9 Ų142.982%0.81878%0.782SS**  trans-94.393.6164.7171.50000109.3
356G31.1Very low32.4Very low67 Ų67146.3 Ų146.369%0.69179%0.788SS**  trans-136.4117.4175.700000111.3
357H31.9Very low32.2Very low171 Ų171139.9 Ų139.979%0.79278%0.78SS**  trans-76138.1171.4-136.1-95.1000108.9D359H357-D359 IonicContact CE1-OD1 3.26Å; H357-D359 PolarHBondContact CE1-OD1 3.25Å; H357-D359 VanDerWaalsContact CE1-OD1 3.26Å; H357-D359 IonicContact CG-OD1 3.99Å; H357-D359 IonicContact ND1-OD1 2.73Å; H357-D359 PolarHBondContact ND1-OD1 3.3Å
358I38.1Very low32.4Very low131 Ų131139.5 Ų139.567%0.67278%0.778SS**  trans-129.3109.1170.7-57.8179.6000107.1F360I358-F360 HydrophobicContact CB-CE2 4.28Å; I358-F360 HydrophobicContact CG2-CD2 4.24Å; I358-F360 HydrophobicContact CG2-CE2 3.72Å; I358-F360 HydrophobicContact CG2-CZ 4.08Å
359D29.3Very low32.5Very low119 Ų119140.1 Ų140.164%0.63678%0.781SS**  trans-88.2117.2-177.1-64.9-32.2000110.8H357 S361H357-D359 IonicContact CE1-OD1 3.26Å; H357-D359 PolarHBondContact CE1-OD1 3.25Å; H357-D359 VanDerWaalsContact CE1-OD1 3.26Å; H357-D359 IonicContact CG-OD1 3.99Å; H357-D359 IonicContact ND1-OD1 2.73Å; H357-D359 PolarHBondContact ND1-OD1 3.3Å; D359-S361 PolarHBondContact O-N 3.39Å
360F36.7Very low32.5Very low196 Ų196138.5 Ų138.586%0.8678%0.776SS**  trans-94.779.8177.5-74.3-90.1000110.7I358I358-F360 HydrophobicContact CB-CE2 4.28Å; I358-F360 HydrophobicContact CG2-CD2 4.24Å; I358-F360 HydrophobicContact CG2-CE2 3.72Å; I358-F360 HydrophobicContact CG2-CZ 4.08Å
361S31.3Very low32.5Very low99 Ų99142.7 Ų142.769%0.69278%0.784SS**  trans-142.416.4-176.262.80000117.3D359D359-S361 PolarHBondContact O-N 3.39Å
362T37Very low32.6Very low131 Ų131144.1 Ų144.180%0.80478%0.781SS**  trans-145.865.2172.3570000115.6
363V34.9Very low32.3Very low150 Ų150142.5 Ų142.591%0.90978%0.782SS**  trans-143.5111.5141.4-175.30000108.3
364S29.7Very low32.3Very low104 Ų104145.3 Ų145.373%0.72779%0.787SS**  trans-139.2107.8171.759.80000109.6
365Y32.6Very low32.4Very low241 Ų241140.3 Ų140.395%0.94579%0.789SS**  trans-133.9156.8154.6-89.8-73.7000109.4
366Q31.6Very low32.2Very low178 Ų178140.7 Ų140.783%0.83279%0.791SS**  trans-139.4165.1-154.8-176.3176.41.800108.9
367S28.1Very low32.5Very low100 Ų100143.8 Ų143.870%0.69980%0.796SS**  trans79.5151.7174.1-51.90000115.3
368T32.4Very low32.7Very low120 Ų120141.8 Ų141.874%0.73680%0.796SS**  -179.2150.6-53.228.70000107.6
369E31.2Very low32.4Very low186 Ų186140.9 Ų140.987%0.86980%0.8SS**  trans73.2135.6167.1-64.6-176.8164.400119.4
370S29.5Very low32.8Very low107 Ų107140.9 Ų140.975%0.74881%0.807SS**  trans50.8104.3143.4-157.10000120.6
371E30.9Very low32.7Very low189 Ų189137 Ų13788%0.88380%0.801SS**  -167.7176.995.9-106.4179.5-165.400113.4
372V33.8Very low32.9Very low137 Ų137137.7 Ų137.783%0.8380%0.803SS**  trans-101.3118.4-173.3174.60000111.2
373S29.2Very low32.7Very low100 Ų100136.1 Ų136.170%0.69980%0.804SS**  trans179.7148.4145.9-94.80000116.7
374K30.6Very low32.6Very low203 Ų203137.5 Ų137.588%0.88380%0.8SS**  trans65.3160.9151.8-67.6173.5-177.9179.60118.6
375A34.9Very low32.7Very low101 Ų101138.9 Ų138.984%0.83580%0.804SS**PPolyproline II helixtrans-84138.8-172.800000111.7
376S31.8Very low32.6Very low124 Ų124133.2 Ų133.287%0.86779%0.794SS**PPolyproline II helixtrans-89.2138177.7-167.90000111.8
377V36.2Very low32.7Very low132 Ų132131.5 Ų131.580%0.879%0.789SS**PPolyproline II helixtrans-59136-174.4177.40000112.3
378T37.3Very low32.7Very low130 Ų130133.1 Ų133.180%0.79879%0.79SS**PPolyproline II helixtrans-63.1136.1174.9-33.80000111.2
379C32.2Very low32.9Very low112 Ų112134.1 Ų134.176%0.75779%0.789SS**PPolyproline II helixtrans-63.7142.4176-52.90000111.7
380P36.8Very low32.9Very low118 Ų118133.6 Ų133.677%0.76679%0.787SS**PPolyproline II helixtrans-68.2144.7175.428.8-34.8000111.5
381P34.9Very low33.1Very low115 Ų115135.3 Ų135.375%0.74779%0.787SS**PPolyproline II helixtrans-68.6155.4171.330.3-34.5000111.2
382P34.8Very low33.2Very low113 Ų113133.9 Ų133.973%0.73479%0.785SS**PPolyproline II helixtrans-67.4138.3-179.128.4-35000111.8H384P382-H384 PolarHBondContact O-N 2.95Å
383A33.7Very low33.1Very low98 Ų98132 Ų13281%0.8178%0.779SS**PPolyproline II helixtrans-61.5125.7179.200000111.8T385A383-T385 PolarHBondContact O-N 3.41Å
384H32.5Very low33.2Very low179 Ų179131.7 Ų131.783%0.82978%0.782SS**  trans-73.7112.7174.3-77.9-91000110.5P382 V386P382-H384 PolarHBondContact O-N 2.95Å; H384-V386 PolarHBondContact O-N 2.93Å; H384-V386 VanDerWaalsContact O-N 3.09Å
385T32.4Very low33.2Very low134 Ų134128.7 Ų128.782%0.82278%0.776SS**  trans-71.6100.5173.534.20000111.3A383 I387A383-T385 PolarHBondContact O-N 3.41Å; T385-I387 PolarHBondContact O-N 3.36Å
386V30.3Very low33.1Very low121 Ų121130.7 Ų130.773%0.73378%0.778SS**  trans-69.5110.1168.6179.50000108.9H384 N388H384-V386 PolarHBondContact O-N 2.93Å; H384-V386 VanDerWaalsContact O-N 3.09Å; V386-N388 PolarHBondContact O-N 3.09Å; V386-N388 VanDerWaalsContact O-N 3.14Å
387I32.8Very low33.1Very low143 Ų143131.4 Ų131.473%0.73377%0.772SS**  trans-81.888.9172.4-55.6177.8000108T385 I389T385-I387 PolarHBondContact O-N 3.36Å; I387-I389 HydrophobicContact CG2-CG1 4.14Å; I387-I389 PolarHBondContact O-N 3.1Å
388N28.2Very low32.6Very low133 Ų133134 Ų13471%0.71177%0.772SS**  trans-65.2113.1164.7-88.6-8.1000108.9V386 E390V386-N388 PolarHBondContact O-N 3.09Å; V386-N388 VanDerWaalsContact O-N 3.14Å; N388-E390 PolarHBondContact O-N 3.34Å
389I35.9Very low32.1Very low141 Ų141138 Ų13872%0.72377%0.773SS**  trans-90.281.5167.2-54.5178.7000106.8I387 L391I387-I389 HydrophobicContact CG2-CG1 4.14Å; I387-I389 PolarHBondContact O-N 3.1Å; I389-L391 PolarHBondContact O-N 2.92Å; I389-L391 VanDerWaalsContact O-N 3.13Å
390E31.4Very low32Very low175 Ų175138.1 Ų138.182%0.81878%0.775SS**  trans-65.1110163.7-71.3-171.9120.700107.8N388 D392N388-E390 PolarHBondContact O-N 3.34Å; E390-D392 VanDerWaalsContact C-N 3.32Å; E390-D392 PolarHBondContact O-N 3.46Å
391L35.2Very low32.1Very low143 Ų143138.2 Ų138.275%0.74978%0.776SS**  trans-82.483.4-177.9-163.379.8000109.3I389 S393I389-L391 PolarHBondContact O-N 2.92Å; I389-L391 VanDerWaalsContact O-N 3.13Å; L391-S393 PolarHBondContact O-N 3.11Å
392D31.3Very low31.9Very low159 Ų159138.2 Ų138.285%0.8578%0.779SS**  trans-64.6100.8-177-156.72.6000110.9E390E390-D392 VanDerWaalsContact C-N 3.32Å; E390-D392 PolarHBondContact O-N 3.46Å
393S33Very low31.7Very low98 Ų98144.2 Ų144.269%0.68579%0.787SS**  trans-14658.7-174.574.40000112.2L391L391-S393 PolarHBondContact O-N 3.11Å
394A31.1Very low31.5Very low93 Ų93144 Ų14477%0.76978%0.78SS**  trans-125.469-177.700000113
395D30.8Very low31.6Very low141 Ų141141.2 Ų141.275%0.75478%0.78SS**  trans-146.389.9159.9-152.2-8.3000113.5
396T32.8Very low31.4Very low143 Ų143138.9 Ų138.988%0.87778%0.782SS**  trans-163.5118.3145.4-0.10000110.5
397N30.6Very low31.5Very low138 Ų138141.5 Ų141.574%0.73879%0.787SS**  trans-64140.7173.2-74.2-92.7000111.3
398F26.9Very low31.5Very low186 Ų186143.4 Ų143.482%0.81679%0.792SS**  -174.7101.4124-107.3-74.3000114.2
399R27.3Very low31.5Very low214 Ų214140.8 Ų140.881%0.80880%0.797SS**  52.798.7129.9-165.2-172-157.2-172.18.1119.8
400S29.3Very low31.4Very low116 Ų116139.9 Ų139.981%0.81180%0.803SS**  trans-61.2150.4151-47.70000111.6
401P38.6Very low31.9Very low119 Ų119137.4 Ų137.477%0.77380%0.802SS**  -137.6164120.838.7-29000114.4
402S30.6Very low31.6Very low116 Ų116134.6 Ų134.681%0.81180%0.8SS**  trans-76.4162.1-168.3-39.50000116.4
403R30.5Very low31.6Very low238 Ų238133.3 Ų133.390%0.89880%0.798SS**  106.5144129.8-139.2-179.1-171.5-176.21.3119.9
404S30.9Very low31.4Very low95 Ų95134.9 Ų134.966%0.66481%0.807SS**  trans80.8113145.155.90000122.7
405S33.4Very low31.6Very low119 Ų119137.8 Ų137.883%0.83281%0.805SS**  51.6123.3129.963.80000121.7
406G28.4Very low32.2Very low85 Ų85136.4 Ų136.488%0.87680%0.804SS**  trans-168.3103.8159.400000110.8
407E32.3Very low32.1Very low177 Ų177136.8 Ų136.883%0.82780%0.798SS**  trans-110.5166.7179.4-160.6-168.999.900110.8
408Q32.6Very low32.5Very low182 Ų182137 Ų13785%0.8580%0.797SS**  trans87.7133.6171.7-52.2-174.7-2.400116.3
409G28.1Very low32.8Very low79 Ų79139.8 Ų139.881%0.81480%0.802SS**  trans163.618.6-179.700000119.3
410S34.7Very low33.2Very low121 Ų121137.9 Ų137.985%0.84680%0.802SS**  trans-87.7138.6163-68.70000109.2
411P41.7Very low34Very low123 Ų123142.3 Ų142.380%0.79983%0.825SS**  -152.6172.989.641.4-24.4000117.3
412A29.1Very low33.8Very low84 Ų84143.5 Ų143.569%0.69483%0.827SS**  trans69.2103.1146.100000121.5
413T30.5Very low33.9Very low132 Ų132144.9 Ų144.981%0.8183%0.828SS**  49.8117.2112.7-42.50000120.6
414C29.5Very low34.1Very low131 Ų131139.8 Ų139.889%0.88582%0.824SS**  -163114.1130-97.50000111.9
415E34.6Very low34.3Very low154 Ų154142.4 Ų142.472%0.7283%0.834SS**  trans-88.4159.7151.4-145.1-155118.300107.6M417E415-M417 PolarHBondContact OE1-N 3.25Å
416P43.8Very low34.4Very low113 Ų113143.9 Ų143.973%0.73483%0.834SS**  -153.815085.438.6-19.6000117.7
417M31.1Very low34.8Very low151 Ų151147.8 Ų147.874%0.74483%0.831SS**  trans35.9111.5134.6-55.1-171.879.300121.1E415E415-M417 PolarHBondContact OE1-N 3.25Å
418I39.6Very low35Very low142 Ų142145.7 Ų145.773%0.72883%0.831SS**  11.5132.2122.8-54.1168.3000117.5
419R33.2Very low35.2Very low245 Ų245142.9 Ų142.993%0.92583%0.83SS**  trans-129.2134.1142.4-88.9-167176.3-169.30.2111.6
420H34.6Very low35.7Very low173 Ų173148.3 Ų148.380%0.80183%0.831SS**  trans-89.5142.2157.8-82.3-91.4000110
421T46.5Very low35.8Very low210 Ų210150.7 Ų150.7100%1.28883%0.83SS**  trans-147.90147.549.60000107.1

Retrieved 421 of 421 residues in 176.4 ms (Link to these results)