A0A096N7D8_PAPAN Loading...

ERI1 exoribonuclease 3

AlphaFold DB (O43414), UniProt , Accession A0A096N7D8, Species PAPAN (Papio anubis, Olive baboon), Gene ERI3, Length 337 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.2Very low40.9Very low240 Ų240118.9 Ų118.9100%1.18283%0.834SS**  093.50-70.1176.6-177.800106
2A35.6Very low40.8Very low85 Ų85130.5 Ų130.570%0.70285%0.846SS**  86.4114.884.500000111.1
3T37.7Very low40.7Very low139 Ų139126.2 Ų126.285%0.85384%0.84SS**  trans84109137.657.90000120.6
4A39.8Very low40.9Very low99 Ų99134.3 Ų134.382%0.81885%0.845SS**  110.5102.8110.500000118.2
5S40.3Very low40.9Very low112 Ų112133.2 Ų133.278%0.78384%0.839SS**  trans-63.4174.6136-60.80000110.1
6P48.4Very low40.8Very low118 Ų118141.4 Ų141.477%0.76685%0.849SS**  cis-154.6-172.229.141.7-18000118.9
7A40.5Very low40.4Very low97 Ų97144.6 Ų144.680%0.80285%0.854SS**  trans74.514715000000117.5
8A39.7Very low40Very low96 Ų96141.2 Ų141.279%0.79385%0.854SS**  cis-176.3142.9-14.500000104.2
9D42.2Very low39.6Very low170 Ų170137.4 Ų137.491%0.90985%0.846SS**  trans177.5146136.4-161.29.7000111.1
10G40.5Very low39.3Very low69 Ų69139.5 Ų139.571%0.71185%0.851SS**  trans104109.2144.800000117.9
11G41.2Very low39.3Very low83 Ų83138 Ų13886%0.85684%0.842SS**  trans144.298.7146.700000116.5
12R39.7Very low38.8Very low258 Ų258131.7 Ų131.797%0.97482%0.821SS**  trans-72.1146.1178.6-59169.3-137.3-101.5-4.7112.6
13G39.5Very low38.9Very low75 Ų75138.3 Ų138.377%0.77383%0.828SS**  trans-179.897.2158.600000111.5
14R43.6Very low39Very low239 Ų239136.6 Ų136.690%0.90282%0.819SS**  trans-71.7144.4179.9-69.5-173.1-167.9-107.54.1111.6
15P40.4Very low39Very low118 Ų118138 Ų13877%0.76682%0.819SS**  trans-77.4143.4162-0.719.4000110.5E17P15-E17 PolarHBondContact O-N 3.3Å
16W40.4Very low39.2Very low264 Ų264136.9 Ų136.9100%182%0.817SS**  trans-67.7109.7170.5-83.849.8000110.1
17E32.6Very low38.6Very low197 Ų197136.1 Ų136.192%0.92181%0.812SS**  trans-102.3133.9155.6-78.5-172149.300108.2P15P15-E17 PolarHBondContact O-N 3.3Å
18G34.5Very low38.4Very low83 Ų83137 Ų13786%0.85681%0.81SS**  trans139.7113.7159.700000115.3
19G32.8Very low38.5Very low69 Ų69138.8 Ų138.871%0.71181%0.806SS**  trans146.355.7159.500000116.3V21G19-V21 PolarHBondContact O-N 2.94Å; G19-V21 VanDerWaalsContact O-N 3.08Å
20L32.9Very low38Very low178 Ų178136.8 Ų136.893%0.93280%0.8SS**  trans-67.499.4162.5-106.4147.3000108.4S22L20-S22 PolarHBondContact O-N 3.42Å
21V39.8Very low37.7Very low110 Ų110138.9 Ų138.967%0.66779%0.794SS**  trans-83100.9167.6-172.40000107.3G19 W23G19-V21 PolarHBondContact O-N 2.94Å; G19-V21 VanDerWaalsContact O-N 3.08Å; V21-W23 PolarHBondContact O-N 3.5Å
22S32.3Very low37.1Very low106 Ų106140.5 Ų140.574%0.74179%0.789SS**  trans-75.4113.7171.254.50000109.5L20L20-S22 PolarHBondContact O-N 3.42Å
23W38.8Very low36.9Very low225 Ų225136.6 Ų136.685%0.85278%0.775SS**PPolyproline II helixtrans-72.7139.3168.8-66.896000110V21V21-W23 PolarHBondContact O-N 3.5Å
24P39.5Very low36.6Very low103 Ų103134.9 Ų134.967%0.66975%0.749SS**PPolyproline II helixtrans-62.3148.7168.328.1-32.1000109.4A26P24-A26 PolarHBondContact O-N 3.1Å
25P39.2Very low36.3Very low127 Ų127128.8 Ų128.883%0.82573%0.726SS**PPolyproline II helixtrans-61.8130.8177.426.2-32.4000109.6
26A44.4Very low36Very low89 Ų89130.4 Ų130.474%0.73673%0.725SS**PPolyproline II helixtrans-59.2138.8171.500000109.7P24P24-A26 PolarHBondContact O-N 3.1Å
27P37Very low35.9Very low102 Ų102119.6 Ų119.666%0.66270%0.696SS**PPolyproline II helixtrans-63.7152.4175.327.5-32.5000110.1L29P27-L29 PolarHBondContact O-N 2.69Å
28P36.4Very low36.2Very low115 Ų115114.5 Ų114.575%0.74768%0.68SS**  trans-67.9105.8-178.928-31.4000109.3T30P28-T30 VanDerWaalsContact C-N 3.32Å; P28-T30 PolarHBondContact O-N 3.3Å
29L39.9Very low35.8Very low135 Ų135116 Ų11671%0.70768%0.677SS**  trans-74.887.7170.5-76.3168.9000108.9P27 L31P27-L29 PolarHBondContact O-N 2.69Å; L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 2.87Å
30T33.3Very low35.8Very low128 Ų128123.9 Ų123.979%0.78569%0.686SS**  trans-81.375.7164.653.40000109.4P28P28-T30 VanDerWaalsContact C-N 3.32Å; P28-T30 PolarHBondContact O-N 3.3Å
31L32.9Very low35.6Very low112 Ų112118.4 Ų118.459%0.58667%0.672SS**  trans-141.5128.2166.2-72.6170.1000109.9L29 W33L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 2.87Å; L31-W33 VanDerWaalsContact CB-CD1 3.45Å; L31-W33 PolarHBondContact O-N 3.25Å; L31-W33 VanDerWaalsContact O-N 3.15Å
32P28.9Very low35.1Very low117 Ų117122 Ų12276%0.7668%0.682SS**  trans-80.498.7178.732.4-28.3000108.2
33W34.7Very low35Very low177 Ų177125.9 Ų125.967%0.6769%0.688SS**  trans-121.8101173.4-64.7112.5000111L31L31-W33 VanDerWaalsContact CB-CD1 3.45Å; L31-W33 PolarHBondContact O-N 3.25Å; L31-W33 VanDerWaalsContact O-N 3.15Å
34T33.8Very low34.7Very low38 Ų38121.3 Ų121.323%0.23369%0.687CS.*  trans-67.5119.4150.246.10000108M36 K288 N289T34-M36 PolarHBondContact O-N 2.99Å; T34-K288 HydrophobicContact CG2-CB 4.2Å; T34-K288 WeakPolarHBondContact CG2-O 3.38Å; T34-N289 WeakPolarHBondContact CG2-OD1 3.26Å
35W37.9Very low34.5Very low112 Ų112119.9 Ų119.942%0.42469%0.691SS.*  trans-63.792.8150.8-118.892.1000107G37W35-G37 PolarHBondContact O-N 3.47Å
36M34.3Very low34.2Very low152 Ų152122 Ų12275%0.74969%0.69SS**  trans-80.399162.8-68.6-168.1-168.200105.8T34T34-M36 PolarHBondContact O-N 2.99Å
37G37.1Very low33.7Very low37 Ų37129.8 Ų129.838%0.38170%0.7SS.*  trans-48.4145.5162.900000109.4W35 S39W35-G37 PolarHBondContact O-N 3.47Å; G37-S39 PolarHBondContact O-N 3.25Å
38P38.6Very low33.6Very low90 Ų90128.4 Ų128.458%0.58470%0.704SS**  trans-59.6111.4-171.616.6-26.7000111.4W40P38-W40 PolarHBondContact O-N 3Å
39S27.3Very low33.3Very low115 Ų115133 Ų13380%0.80471%0.713SS**  trans-77.491.6160.6159.90000107.4G37G37-S39 PolarHBondContact O-N 3.25Å
40W32.2Very low33.4Very low234 Ų234132.5 Ų132.589%0.88672%0.718SS**  trans-113.2113.2164-70.5110.1000110.3P38P38-W40 PolarHBondContact O-N 3Å
41G29.9Very low33.5Very low63 Ų63130.6 Ų130.665%0.64972%0.715SS**  trans-65.3153.6160.100000110.8
42Q28.3Very low33.7Very low184 Ų184133.6 Ų133.686%0.8673%0.731SS**  trans-56.8136.5-175.8-63.2176.2-27.500113.5
43H30.8Very low34.1Very low188 Ų188133.4 Ų133.487%0.8773%0.728SS**  trans-142.2125.7144.6-89.6-77.3000108.2
44P33.2Very low34.4Very low129 Ų129133.8 Ų133.884%0.83874%0.737SS**  trans-88.6123.2164.932.4-24.1000108.5
45G35.1Very low34.8Very low74 Ų74137.3 Ų137.376%0.76376%0.76SS**  trans-143.5106.6174.700000109.5
46H31.7Very low34.9Very low170 Ų170137.4 Ų137.479%0.78778%0.778SS**  trans-59.1179.7174.6-102.8-103000113.5
47W34.9Very low35.1Very low254 Ų254134.3 Ų134.396%0.96278%0.777SS**  trans93.4119.2175.1-43.1112.3000113
48G33.4Very low35.4Very low72 Ų72138.5 Ų138.574%0.74280%0.8SS**  cis154.6118800000106.7
49F31.2Very low35.5Very low212 Ų212140 Ų14093%0.9381%0.81SS**  trans-86.5155.1172.4-81.2-83.3000110.6
50P42.2Very low36.1Very low124 Ų124139.1 Ų139.181%0.80581%0.809SS**  trans-130.3144.3132.521.3-2.8000113.4
51A34.4Very low36.4Very low88 Ų88133.2 Ų133.273%0.72781%0.811SS**  trans-64.3153.2175.800000113.5
52L37.5Very low36.7Very low176 Ų176134 Ų13492%0.92182%0.819SS**  trans-128.5149.1153.2-85.4171.5000109.3
53T38.4Very low37Very low113 Ų113134.1 Ų134.169%0.69382%0.824SS**  trans-109.2139-144.240.50000112.7
54E40.2Very low37.1Very low185 Ų185128.9 Ų128.986%0.86482%0.822SS**  72156.3130-72.5-114.5149.100122.4
55P41.9Very low37.1Very low112 Ų112130 Ų13073%0.72782%0.819SS**  trans-123.9179.7-137.943.2-30.3000115.4
56S39.4Very low37Very low113 Ų113136.2 Ų136.279%0.7983%0.825SS**  trans-147.7154.4161.364.70000109.1
57A40.4Very low36.8Very low88 Ų88134.5 Ų134.573%0.72782%0.818SS**  cis-177.9123.5-23.800000105.4
58S42.6Very low36.6Very low125 Ų125128.9 Ų128.987%0.87481%0.811SS**  trans72.9154.8148.3-82.60000124.2
59P40.2Very low36.4Very low120 Ų120134.9 Ų134.978%0.77981%0.811SS**  trans-122.1170.3-150.740.6-24.8000114.6
60A39.8Very low36.3Very low97 Ų97136.6 Ų136.680%0.80281%0.812SS**  trans-169.3125.4150.800000114
61A38.5Very low35.8Very low110 Ų110135.5 Ų135.591%0.90980%0.802SS**  trans56.4126.5136.400000122
62G36.4Very low35.5Very low80 Ų80138.4 Ų138.483%0.82581%0.805SS**  trans169.2102.7157.200000113.9
63L34.9Very low35.3Very low186 Ų186137.5 Ų137.597%0.97480%0.801SS**  trans-63.6153.1-177-68137.2000114.6
64G32Very low35Very low79 Ų79136.4 Ų136.481%0.81480%0.803SS**  trans174.471165.400000114.6
65I34.7Very low35Very low153 Ų153133.4 Ų133.479%0.78580%0.803SS**  trans-79.9126.7164.6-66.1169.8000108
66F31.7Very low34.5Very low204 Ų204131.6 Ų131.690%0.89581%0.805SS**  trans-139.1107.3148.6-111.5-84.2000109.2
67E28Very low34Very low133 Ų133132.7 Ų132.762%0.62181%0.811SS**  trans-85.6128.7171.2-176.8161.217000108.7R69E67-R69 HydrophobicContact CG-CB 4.45Å; E67-R69 IonicContact OE1-NH1 3.92Å
68V31.7Very low33.4Very low136 Ų136133.5 Ų133.582%0.82481%0.811SS**  trans-123.697.1160.7-178.30000107.3
69R28.2Very low33Very low199 Ų199136.4 Ų136.475%0.75181%0.813SS**  trans-92.7116170.3-145.5171.8-173.2171.4-0.5107.3E67E67-R69 HydrophobicContact CG-CB 4.45Å; E67-R69 IonicContact OE1-NH1 3.92Å
70R29.9Very low32.5Very low248 Ų248138.2 Ų138.294%0.93682%0.815SS**  trans-95.7134.2161.3-124.4-176.8-155.31646.5108.4
71V30.8Very low32.2Very low100 Ų100138.2 Ų138.261%0.60682%0.815SS**  trans-119.4134.1-168.6159.90000106.7
72L29.1Very low32Very low149 Ų149138.2 Ų138.278%0.7881%0.806SS**  trans69.7134.2162.2-59.3163.2000115.7
73D32.4Very low31.7Very low157 Ų157141.3 Ų141.384%0.8480%0.803SS**  -140.2147.263-105.7-29.5000115.9
74A32.1Very low31.8Very low90 Ų90142.1 Ų142.174%0.74480%0.802SS**  trans-90.6129165.900000109.4
75S39.8Very low32Very low122 Ų122144.7 Ų144.785%0.85380%0.802SS**  trans-140.5114158.331.10000108.7
76G31.4Very low32.2Very low75 Ų75141.3 Ų141.377%0.77381%0.805SS**  trans-85.2149.7174.600000111.8
77C30.4Very low32.2Very low135 Ų135136.5 Ų136.591%0.91280%0.802SS**  trans-153.1112.5144.9-108.80000109.3
78S26.8Very low32.7Very low105 Ų105134.4 Ų134.473%0.73481%0.808SS**  trans-84.8132.7165161.50000108.5
79M34.6Very low33Very low186 Ų186138 Ų13892%0.91681%0.807SS**  trans-132.8112.3158.2-83.7-92-8700108.6
80L30.5Very low33.5Very low158 Ų158137.3 Ų137.383%0.82781%0.81SS**  trans-76.9147.4165.1-74.3154.2000109.6
81A33.1Very low33.9Very low97 Ų97130.6 Ų130.680%0.80280%0.8SS**  156.7154.9124.900000112.9
82P33.4Very low34.2Very low110 Ų110130.1 Ų130.171%0.71480%0.802SS**  trans-124.1-178.1-142.842.8-28.7000115.5
83L30Very low34.9Very low146 Ų146133.2 Ų133.276%0.76480%0.804SS**  trans58.7117.2154.8-94.484.1000119.5
84Q37Very low35.3Very low203 Ų203133.5 Ų133.595%0.94981%0.805SS**  trans-128.7118.2137.6-83.5-164.2-12.200110.6
85T36.4Very low35.5Very low133 Ų133137 Ų13782%0.81681%0.811SS**  trans-80.2130.3163.443.10000109.9
86G38.3Very low35.7Very low82 Ų82137.3 Ų137.385%0.84581%0.813SS**  trans-135.1112.216800000110.1
87A33Very low36Very low102 Ų102145 Ų14584%0.84382%0.818SS**  trans-98.7168176.100000111.3
88A38.8Very low36.3Very low89 Ų89142.9 Ų142.974%0.73681%0.811SS**  trans87.3137.8167.600000115.2
89R38.1Very low36.9Very low213 Ų213149.9 Ų149.980%0.80482%0.821SS**  cis179.7152.212.3-120173.1-170.1-1634.5110
90F38.1Very low37.1Very low184 Ų184150.2 Ų150.281%0.80782%0.817SS**  trans61.4136.5156.8-66.4-75.4000119.1
91S38.6Very low37.8Very low106 Ų106149.4 Ų149.474%0.74182%0.818SS**  -166.5155.555.1-172.50000112.8
92S36.9Very low38Very low91 Ų91152.6 Ų152.664%0.63682%0.821SS**  trans-95.3148.9-172.4520000114.8
93Y43.5Very low38.2Very low213 Ų213151.2 Ų151.284%0.83583%0.827SS**  trans-163.6103.4146.3-78.6-68.5000109.2
94L41Very low38.7Very low163 Ų163149.2 Ų149.285%0.85383%0.825SS**  80127.294-81.1177.9000117.5
95L36Very low38.8Very low165 Ų165147.7 Ų147.786%0.86482%0.817SS**  trans-78.5157-176.3-71.6105.8000114.4
96S43.2Very low39.1Very low128 Ų128148.4 Ų148.490%0.89582%0.816SS**  trans-142.6150.2141.984.90000112
97R39.5Very low39.3Very low235 Ų235153.3 Ų153.389%0.88781%0.814SS**  trans-125.8134.9-153.2-169.7-179.3179-170.30.7110.2
98A36Very low39.9Very low91 Ų91153.9 Ų153.975%0.75281%0.812SS**  trans25138.3149.100000123.4
99R40.2Very low40.5Very low253 Ų253155 Ų15596%0.95581%0.812SS**  -165.3146124.8-115.2174.2178.9171.3-0.5113.2
100K37Very low40.5Very low193 Ų193151.5 Ų151.584%0.83982%0.818SS**  trans-135.6131.5-177.4-154.3-175.7-163.8-1770106.3
101V45.8Very low40.7Very low140 Ų140146.5 Ų146.585%0.84882%0.819SS**  trans-148132.8166.2177.50000110.1
102L37.1Very low41.1Very low165 Ų165148.2 Ų148.286%0.86482%0.824SS**  trans-82.1158.9175-87.783.8000112.3
103G39Very low41.4Very low80 Ų80149 Ų14983%0.82583%0.827SS**  trans-178.1135.2159.600000112.4
104S39Very low41.3Very low105 Ų105146.7 Ų146.773%0.73482%0.824SS**  trans-124.6154.2-150.940.50000114.7
105H40.5Very low41.2Very low170 Ų170147.5 Ų147.579%0.78782%0.821SS**  trans55.7129152.4-59.8-63000121.6
106L42Very low41.1Very low148 Ų148145.5 Ų145.578%0.77582%0.819SS**  176.8122.4118.1-100.8137.3000113.3
107F41.7Very low41Very low185 Ų185144.1 Ų144.181%0.81181%0.81SS**  trans50.3111.3142.1-66.5-80000125.4
108S45.5Very low41.1Very low115 Ų115140.7 Ų140.780%0.80481%0.808SS**  69.1153113.4-910000125.5
109P51.9Low41.3Very low112 Ų112141.8 Ų141.873%0.72781%0.81SS**  trans-123.7175.7-144.544-30.2000115.1
110C38.8Very low41.3Very low139 Ų139135.4 Ų135.494%0.93980%0.799SS**  trans-176.1141148.2-110.40000112.4
111G41.9Very low41.6Very low80 Ų80137.4 Ų137.483%0.82580%0.801SS**  trans116.7105.5149.200000118.5
112V46.7Very low41.5Very low141 Ų141140.2 Ų140.286%0.85580%0.802SS**  trans-115.9172.7160.3-114.20000106.8
113P44.1Very low41.6Very low108 Ų108140.9 Ų140.970%0.70181%0.805SS**  cis-140.6-173.2-13.434.3-11.5000114.9
114E41.3Very low42Very low165 Ų165140.7 Ų140.777%0.77180%0.796SS**  trans85.8128.3142.3-89.6-174.2172.200125.2
115F38.7Very low42.1Very low180 Ų180140.4 Ų140.479%0.78980%0.8SS**  trans61.7111.3153.7-82.8-89.1000122.3
116C33.2Very low42.5Very low122 Ų122140.3 Ų140.382%0.82480%0.8SS**  153.6151.299.1-160.80000112.8
117S40.5Very low42.3Very low100 Ų100136.6 Ų136.670%0.69980%0.798SS**  trans86.193.8157.6-170.40000120.2
118I41.6Very low42.6Very low163 Ų163137.3 Ų137.384%0.83680%0.801SS**  trans14.6112.6131.2-54.2170.2000116.1
119S41Very low42.1Very low114 Ų114135.5 Ų135.580%0.79780%0.8SS**  trans-147.8118.5145.9-159.30000110.4
120T39.4Very low41.9Very low118 Ų118133.9 Ų133.972%0.72480%0.796SS**  trans-62.4124.2171.138.40000110.1
121R43.9Very low42.3Very low236 Ų236132.5 Ų132.589%0.89179%0.788SS**  trans-176.5135.3149.1-100.8151.7-158.4-155.48.1113.1
122K43.6Very low42.6Very low199 Ų199137.3 Ų137.387%0.86579%0.791SS**  trans72.694.9155.2-82.3177.8171.5178.90118.3A124K122-A124 PolarHBondContact O-N 3.47Å
123L40Very low42.9Very low178 Ų178134 Ų13493%0.93278%0.778SS**  trans-35.4104.5135.6-82.5144.2000110.8
124A46Very low43.7Very low77 Ų77133.3 Ų133.364%0.63678%0.782SS**  trans-88.995.7159.100000107.1K122 H126K122-A124 PolarHBondContact O-N 3.47Å; A124-H126 PolarHBondContact O-N 2.85Å
125A42.8Very low45.2Very low98 Ų98132.6 Ų132.681%0.8178%0.78SS**  trans-65.390162.100000107.7G127A125-G127 VanDerWaalsContact C-N 3.31Å; A125-G127 PolarHBondContact O-N 3.43Å
126H48.2Very low47.4Very low168 Ų168128.5 Ų128.578%0.77877%0.77SS**  trans-71.796.7162.3-87.5-78.1000107.5A124 F128A124-H126 PolarHBondContact O-N 2.85Å; H126-F128 PolarHBondContact O-N 2.98Å
127G37.3Very low50.3Low71 Ų71125.4 Ų125.473%0.73275%0.749SS**  trans-55.2109.617000000110A125 G129A125-G127 VanDerWaalsContact C-N 3.31Å; A125-G127 PolarHBondContact O-N 3.43Å; G127-G129 PolarHBondContact O-N 2.9Å
128F47.7Very low53Low200 Ų200122.9 Ų122.988%0.87773%0.726SS**  trans-69.179.1151.5-90.2-91.7000107.4H126 A130H126-F128 PolarHBondContact O-N 2.98Å; F128-A130 PolarHBondContact O-N 2.99Å
129G35.8Very low55.6Low77 Ų77115.9 Ų115.979%0.79469%0.691SS**  trans-68.966.4160.700000109.3G127 S131G127-G129 PolarHBondContact O-N 2.9Å; G129-S131 PolarHBondContact O-N 3.19Å
130A47.7Very low58.3Low77 Ų77114.8 Ų114.864%0.63668%0.681SS**  trans-71.9104.4162.300000106.1F128 M132F128-A130 PolarHBondContact O-N 2.99Å; A130-M132 PolarHBondContact O-N 3.08Å
131S46.1Very low61.1Low110 Ų110110.5 Ų110.577%0.76965%0.653SS**  trans-48.2101.4170.5172.20000109.5G129 A133G129-S131 PolarHBondContact O-N 3.19Å; S131-A133 PolarHBondContact O-N 3.44Å
132M49.5Very low63.7Low182 Ų182106.4 Ų106.490%0.89764%0.638SS**  trans-68.264.8161.5-72.2-165.472.900108.3A130 A134A130-M132 PolarHBondContact O-N 3.08Å; M132-A134 PolarHBondContact O-N 2.49Å
133A53Low66.3Low70 Ų7098.9 Ų98.958%0.57960%0.604SS**  trans-53.9114.8159.500000105.1S131 M135S131-A133 PolarHBondContact O-N 3.44Å; A133-M135 PolarHBondContact O-N 3.11Å
134A61.1Low69.1Low94 Ų9495.4 Ų95.478%0.77758%0.583SS**  trans-51.3104.6-172.600000108.7M132 V136M132-A134 PolarHBondContact O-N 2.49Å; A134-V136 PolarHBondContact O-N 3.41Å; A134-V136 VanDerWaalsContact O-N 3.14Å
135M71.3Confident71.6Confident150 Ų15094.2 Ų94.274%0.73956%0.562SS**PPolyproline II helixtrans-66.2119.6179.3-64.2-167.9-154.200106.7A133 S137A133-M135 PolarHBondContact O-N 3.11Å; M135-S137 PolarHBondContact O-N 3.25Å
136V86.7Confident74.3Confident95 Ų9589.6 Ų89.658%0.57652%0.524SS*.PPolyproline II helixtrans-65.1120177.5176.90000107.7A134 P139A134-V136 PolarHBondContact O-N 3.41Å; A134-V136 VanDerWaalsContact O-N 3.14Å; V136-P139 WeakPolarHBondContact O-CD 3.29Å
137S94Very high76.7Confident56 Ų5681.6 Ų81.639%0.39249%0.487SS..SBendtrans-61.8137.6172.858.70000110.1M135 Y325M135-S137 PolarHBondContact O-N 3.25Å; S137-Y325 VanDerWaalsContact CA-O 3.29Å; S137-Y325 WeakPolarHBondContact CA-O 3.43Å; S137-Y325 VanDerWaalsContact CB-O 3.27Å; S137-Y325 WeakPolarHBondContact CB-O 3.34Å
138F96.5Very high79.7Confident48 Ų4878.2 Ų78.221%0.21145%0.452CS..SBendtrans5262.7-175.2-56.9-76.6000111.9R176 T177 K321 A324 Y325F138-R176 WeakPolarHBondContact CD1-O 3.45Å; F138-R176 PolarHBondContact O-NE 3.27Å; F138-R176 PolarHBondContact O-NH2 2.75Å; F138-T177 WeakPolarHBondContact CE1-O 3.17Å; F138-K321 HydrophobicContact CE1-CG 4.07Å; F138-K321 HydrophobicContact CZ-CG 4.15Å; F138-A324 HydrophobicContact CD1-CB 3.74Å; F138-A324 HydrophobicContact CE1-CB 3.98Å; F138-A324 PolarHBondContact N-O 2.82Å; F138-Y325 HydrophobicContact CD2-CD2 4.32Å; F138-Y325 AromaticContact CE2-CD2 3.66Å; F138-Y325 HydrophobicContact CE2-CD2 3.66Å; F138-Y325 HydrophobicContact CE2-CG 4.4Å; F138-Y325 HydrophobicContact CZ-CD2 4.23Å
139P96.9Very high82.1Confident16 Ų1668.7 Ų68.710%0.10441%0.41CS..PPolyproline II helixtrans-68159.7177.233-36.7000110.4V136 Q141 A324 I329V136-P139 WeakPolarHBondContact O-CD 3.29Å; P139-Q141 PolarHBondContact O-N 3.01Å; P139-A324 WeakPolarHBondContact CD-O 3.35Å; P139-I329 HydrophobicContact CB-CD1 3.76Å; P139-I329 HydrophobicContact CG-CD1 3.41Å; P139-I329 VanDerWaalsContact CG-CD1 3.41Å; P139-I329 HydrophobicContact CG-CG1 4.18Å
140P97.4Very high85.1Confident90 Ų9065.8 Ų65.858%0.58438%0.376SS*.PPolyproline II helixtrans-53124.2174.1-25.234.4000111.5I329P140-I329 WeakPolarHBondContact O-CD1 3.35Å
141Q98.4Very high87.5Confident29 Ų2962.5 Ų62.514%0.13635%0.348CS..PPolyproline II helixtrans-91.2169.4178.3-62.8-64.6-30.700111.5P139 Y143 F146 G175 M178 F328P139-Q141 PolarHBondContact O-N 3.01Å; Q141-Y143 VanDerWaalsContact C-N 3.34Å; Q141-F146 HydrophobicContact CB-CE2 4.09Å; Q141-F146 HydrophobicContact CB-CZ 4.05Å; Q141-F146 HydrophobicContact CG-CE2 4.05Å; Q141-F146 HydrophobicContact CG-CZ 4.2Å; Q141-G175 VanDerWaalsContact CB-O 3.22Å; Q141-G175 WeakPolarHBondContact CB-O 3.49Å; Q141-G175 WeakPolarHBondContact CG-O 3.38Å; Q141-M178 HydrophobicContact CG-CE 3.85Å; Q141-F328 PolarHBondContact NE2-O 3.23Å
142R97.6Very high90Very high150 Ų15058 Ų5857%0.56631%0.314SS*.SBendtrans-80.5-14179.4-64.9-179.4173-160.3-5.7114.3I329R142-I329 HydrophobicContact CG-CG2 4.4Å
143Y98.7Very high92.4Very high41 Ų4149.7 Ų49.716%0.16128%0.275CS..  trans-126.7143.4-173.5-54.3-81.1000108.8Q141 Y145 F146 K239 I241 I273Q141-Y143 VanDerWaalsContact C-N 3.34Å; Y143-Y145 VanDerWaalsContact C-N 3.28Å; Y143-Y145 WeakPolarHBondContact CB-O 3.43Å; Y143-F146 HydrophobicContact CD2-CD1 4.43Å; Y143-F146 AromaticContact CD2-CE1 3.59Å; Y143-F146 HydrophobicContact CD2-CE1 3.59Å; Y143-F146 AromaticContact CD2-CZ 3.95Å; Y143-F146 HydrophobicContact CD2-CZ 3.95Å; Y143-F146 HydrophobicContact CE2-CE1 4.34Å; Y143-F146 HydrophobicContact CG-CE1 4.35Å; Y143-K239 CarbonylContact C-O 3.57Å; Y143-K239 HydrophobicContact CD1-CB 4.26Å; Y143-I241 HydrophobicContact CD1-CB 3.95Å; Y143-I241 HydrophobicContact CD1-CG2 3.92Å; Y143-I241 HydrophobicContact CD2-CB 4.48Å; Y143-I241 HydrophobicContact CD2-CG2 3.6Å; Y143-I241 HydrophobicContact CE1-CB 3.81Å; Y143-I241 HydrophobicContact CE1-CD1 4.15Å; Y143-I241 HydrophobicContact CE1-CG2 3.99Å; Y143-I241 HydrophobicContact CE2-CB 4.33Å; Y143-I241 HydrophobicContact CE2-CD1 4.31Å; Y143-I241 HydrophobicContact CE2-CG2 3.64Å; Y143-I241 HydrophobicContact CG-CB 4.3Å; Y143-I241 HydrophobicContact CG-CG2 3.74Å; Y143-I241 WeakPolarHBondContact OH-CD1 3.34Å; Y143-I273 HydrophobicContact CE2-CD1 4.33Å
144H98.7Very high94.6Very high104 Ų10446.5 Ų46.548%0.48125%0.248SC..SBendtrans-68.3-32.6170.6-59.4140.8000111.1G175 N237 V238 K239H144-G175 WeakPolarHBondContact O-CA 3.22Å; H144-G175 PolarHBondContact O-N 3.4Å; H144-N237 PolarHBondContact CE1-O 3.15Å; H144-N237 VanDerWaalsContact CE1-O 3.28Å; H144-V238 HydrophobicContact CB-CG1 4.41Å; H144-K239 WeakPolarHBondContact CA-O 3.43Å; H144-K239 WeakPolarHBondContact CB-O 3.1Å; H144-K239 PolarHBondContact N-O 3.27Å; H144-K239 PolarHBondContact ND1-N 2.88Å; H144-K239 VanDerWaalsContact ND1-N 3.14Å
145Y98.9Very high96.3Very high53 Ų5342.2 Ų42.221%0.20821%0.212CC..EExtended strand (participates in β ladder)trans-140148.9-179.8-58.8-68000112.5Y143 K172 L173 E181 L233 V238 K239 S240 I241Y143-Y145 VanDerWaalsContact C-N 3.28Å; Y143-Y145 WeakPolarHBondContact CB-O 3.43Å; Y145-K172 HydrophobicContact CD1-CD 4.41Å; Y145-K172 HydrophobicContact CD1-CG 4.01Å; Y145-K172 VanDerWaalsContact CE1-CE 3.48Å; Y145-K172 HydrophobicContact CG-CG 4.29Å; Y145-L173 VanDerWaalsContact CA-O 3.29Å; Y145-L173 WeakPolarHBondContact CA-O 3.5Å; Y145-L173 WeakPolarHBondContact CD1-O 3.17Å; Y145-E181 WeakPolarHBondContact CE1-OE2 3.28Å; Y145-L233 HydrophobicContact CD2-CD2 3.49Å; Y145-L233 VanDerWaalsContact CD2-CD2 3.49Å; Y145-L233 HydrophobicContact CE2-CD2 4.28Å; Y145-L233 HydrophobicContact CG-CD2 3.93Å; Y145-V238 HydrophobicContact CD2-CG1 3.77Å; Y145-V238 HydrophobicContact CE2-CG1 3.87Å; Y145-K239 PolarHBondContact N-O 3.07Å; Y145-S240 VanDerWaalsContact O-CA 3.29Å; Y145-S240 WeakPolarHBondContact O-CA 2.95Å; Y145-I241 PolarHBondContact O-N 3.5Å
146F99Very high97.6Very high0 Ų037.6 Ų37.60%019%0.191CC..EExtended strand (participates in β ladder)trans-111.9134.8165.6-63.2-83.8000109Q141 Y143 L173 M178 I241 V243 I273 M320 F330Q141-F146 HydrophobicContact CB-CE2 4.09Å; Q141-F146 HydrophobicContact CB-CZ 4.05Å; Q141-F146 HydrophobicContact CG-CE2 4.05Å; Q141-F146 HydrophobicContact CG-CZ 4.2Å; Y143-F146 HydrophobicContact CD2-CD1 4.43Å; Y143-F146 AromaticContact CD2-CE1 3.59Å; Y143-F146 HydrophobicContact CD2-CE1 3.59Å; Y143-F146 AromaticContact CD2-CZ 3.95Å; Y143-F146 HydrophobicContact CD2-CZ 3.95Å; Y143-F146 HydrophobicContact CE2-CE1 4.34Å; Y143-F146 HydrophobicContact CG-CE1 4.35Å; F146-L173 HydrophobicContact CB-CB 4.29Å; F146-L173 PolarHBondContact N-O 2.82Å; F146-L173 VanDerWaalsContact N-O 3.07Å; F146-L173 PolarHBondContact O-N 2.93Å; F146-M178 HydrophobicContact CD2-CE 3.86Å; F146-M178 HydrophobicContact CD2-SD 3.76Å; F146-M178 HydrophobicContact CE2-CE 3.43Å; F146-M178 VanDerWaalsContact CE2-CE 3.43Å; F146-M178 HydrophobicContact CE2-SD 3.99Å; F146-M178 HydrophobicContact CZ-CE 4.24Å; F146-I241 HydrophobicContact CD1-CG2 3.72Å; F146-I241 HydrophobicContact CE1-CG2 3.99Å; F146-V243 HydrophobicContact CB-CG2 4Å; F146-V243 HydrophobicContact CD1-CG2 3.87Å; F146-V243 HydrophobicContact CG-CG2 4.36Å; F146-I273 HydrophobicContact CD1-CD1 4.12Å; F146-I273 HydrophobicContact CE1-CD1 3.79Å; F146-M320 HydrophobicContact CB-CE 3.72Å; F146-M320 HydrophobicContact CD1-CE 3.8Å; F146-M320 HydrophobicContact CD2-CE 3.96Å; F146-M320 HydrophobicContact CE1-CE 4.41Å; F146-M320 HydrophobicContact CG-CE 3.54Å; F146-F330 HydrophobicContact CE1-CB 3.59Å; F146-F330 HydrophobicContact CE1-CD2 4.5Å; F146-F330 HydrophobicContact CE1-CG 4.25Å; F146-F330 HydrophobicContact CZ-CB 3.75Å; F146-F330 HydrophobicContact CZ-CD2 4.11Å; F146-F330 HydrophobicContact CZ-CG 4.27Å
147L98.9Very high97.9Very high0 Ų039.3 Ų39.30%019%0.19CC..EExtended strand (participates in β ladder)trans-108.994.5-177.4-52179.6000108.6I170 L171 K172 M228 L233 I241 F242 V243L147-I170 HydrophobicContact CB-CG2 4.08Å; L147-L171 CarbonylContact C-O 3.56Å; L147-L171 WeakPolarHBondContact CA-O 3.34Å; L147-K172 HydrophobicContact CD2-CB 4.22Å; L147-K172 HydrophobicContact CD2-CG 4.24Å; L147-M228 HydrophobicContact CD1-CE 3.66Å; L147-M228 HydrophobicContact CD1-SD 3.74Å; L147-L233 HydrophobicContact CD1-CD1 4.14Å; L147-L233 HydrophobicContact CD2-CD1 3.66Å; L147-L233 HydrophobicContact CD2-CD2 4.26Å; L147-I241 PolarHBondContact N-O 2.87Å; L147-F242 HydrophobicContact CB-CD1 3.83Å; L147-F242 HydrophobicContact CB-CD2 4.37Å; L147-F242 HydrophobicContact CB-CE1 3.88Å; L147-F242 HydrophobicContact CB-CE2 4.38Å; L147-F242 HydrophobicContact CB-CG 4.1Å; L147-F242 HydrophobicContact CB-CZ 4.17Å; L147-F242 HydrophobicContact CD1-CD2 4.19Å; L147-F242 HydrophobicContact CD1-CE1 4.43Å; L147-F242 HydrophobicContact CD1-CE2 3.71Å; L147-F242 HydrophobicContact CD1-CZ 3.87Å; L147-F242 CarbonylContact O-C 3.58Å; L147-F242 WeakPolarHBondContact O-CA 3.18Å; L147-F242 WeakPolarHBondContact O-CD1 3.29Å; L147-V243 PolarHBondContact O-N 2.78Å
148V98.9Very high97.9Very high0 Ų042.3 Ų42.30%021%0.209CC..EExtended strand (participates in β ladder)trans-77.1128.7-178.5171.40000109.4I170 L171 L173 V243 C313 I316 M320V148-I170 CarbonylContact O-C 3.47Å; V148-I170 VanDerWaalsContact O-CA 3.22Å; V148-I170 WeakPolarHBondContact O-CA 3.39Å; V148-L171 HydrophobicContact CB-CB 4.2Å; V148-L171 PolarHBondContact N-O 3.21Å; V148-L171 PolarHBondContact O-N 2.94Å; V148-L173 HydrophobicContact CG2-CD1 3.6Å; V148-L173 HydrophobicContact CG2-CG 4.02Å; V148-V243 WeakPolarHBondContact CA-O 3.46Å; V148-V243 HydrophobicContact CG2-CB 4.28Å; V148-C313 HydrophobicContact CG1-CB 3.8Å; V148-C313 WeakPolarHBondContact CG1-O 3.5Å; V148-I316 HydrophobicContact CB-CG2 4.26Å; V148-I316 HydrophobicContact CG1-CB 3.61Å; V148-I316 HydrophobicContact CG1-CD1 3.96Å; V148-I316 HydrophobicContact CG1-CG1 4.39Å; V148-I316 HydrophobicContact CG1-CG2 3.47Å; V148-I316 VanDerWaalsContact CG1-CG2 3.47Å; V148-I316 HydrophobicContact CG2-CG2 3.8Å; V148-M320 HydrophobicContact CG2-SD 3.8Å
149L98.9Very high97.8Very high0 Ų043 Ų430%021%0.212CC..EExtended strand (participates in β ladder)trans-138.5141.5-178176.3152000109.6F151 F168 I170 F242 V243 T244 D249 L250 F269L149-F151 HydrophobicContact CD1-CE1 3.71Å; L149-F151 HydrophobicContact CD1-CZ 3.67Å; L149-F151 HydrophobicContact CD2-CD1 4.05Å; L149-F151 HydrophobicContact CD2-CD2 3.98Å; L149-F151 HydrophobicContact CD2-CE1 3.77Å; L149-F151 HydrophobicContact CD2-CE2 3.69Å; L149-F151 HydrophobicContact CD2-CG 4.15Å; L149-F151 HydrophobicContact CD2-CZ 3.6Å; L149-F151 HydrophobicContact CG-CD1 4.37Å; L149-F151 HydrophobicContact CG-CE1 3.91Å; L149-F151 HydrophobicContact CG-CZ 4.07Å; L149-F168 HydrophobicContact CD1-CD1 4.47Å; L149-F168 HydrophobicContact CD1-CE1 3.66Å; L149-F168 HydrophobicContact CD1-CZ 4.12Å; L149-I170 HydrophobicContact CD1-CG1 4.34Å; L149-F242 HydrophobicContact CB-CD1 3.81Å; L149-F242 HydrophobicContact CB-CE1 4.16Å; L149-F242 HydrophobicContact CD1-CD1 3.92Å; L149-F242 HydrophobicContact CD1-CE1 3.68Å; L149-V243 PolarHBondContact N-O 2.85Å; L149-T244 HydrophobicContact CB-CG2 4.49Å; L149-T244 HydrophobicContact CD2-CG2 4.02Å; L149-D249 HydrophobicContact CD2-CB 3.83Å; L149-L250 HydrophobicContact CD2-CD2 4.34Å; L149-F269 HydrophobicContact CD1-CE1 4.12Å
150D98.9Very high97.8Very high17 Ų1743.7 Ų43.79%0.09122%0.215CC..  trans-153.8112175.8-155.284.5000108P169 C245 D312 C313 I316D150-P169 WeakPolarHBondContact O-CD 3.46Å; D150-P169 WeakPolarHBondContact O-CG 3.33Å; D150-C245 WeakPolarHBondContact OD1-CB 3.3Å; D150-D312 HydrophobicContact CB-CB 4.38Å; D150-C313 PolarHBondContact N-SG 3.21Å; D150-C313 VanDerWaalsContact N-SG 3.41Å; D150-I316 HydrophobicContact CB-CD1 4.12Å
151F98.8Very high97.7Very high7 Ų745.9 Ų45.93%0.03122%0.217CC..  trans-85.4146.8-176.5-63.4-47.9000111.4L149 I165 F168 D249 L250 M253 L254L149-F151 HydrophobicContact CD1-CE1 3.71Å; L149-F151 HydrophobicContact CD1-CZ 3.67Å; L149-F151 HydrophobicContact CD2-CD1 4.05Å; L149-F151 HydrophobicContact CD2-CD2 3.98Å; L149-F151 HydrophobicContact CD2-CE1 3.77Å; L149-F151 HydrophobicContact CD2-CE2 3.69Å; L149-F151 HydrophobicContact CD2-CG 4.15Å; L149-F151 HydrophobicContact CD2-CZ 3.6Å; L149-F151 HydrophobicContact CG-CD1 4.37Å; L149-F151 HydrophobicContact CG-CE1 3.91Å; L149-F151 HydrophobicContact CG-CZ 4.07Å; F151-I165 HydrophobicContact CB-CG1 4.46Å; F151-I165 HydrophobicContact CB-CG2 4.5Å; F151-I165 HydrophobicContact CD1-CD1 4.22Å; F151-I165 HydrophobicContact CD1-CG1 4.47Å; F151-I165 HydrophobicContact CD1-CG2 3.99Å; F151-I165 HydrophobicContact CD2-CD1 3.97Å; F151-I165 HydrophobicContact CD2-CG1 4.29Å; F151-I165 HydrophobicContact CE1-CD1 4.15Å; F151-I165 HydrophobicContact CE2-CD1 3.9Å; F151-I165 HydrophobicContact CG-CD1 4.14Å; F151-I165 HydrophobicContact CG-CG1 4.18Å; F151-I165 HydrophobicContact CG-CG2 4.34Å; F151-I165 HydrophobicContact CZ-CD1 3.98Å; F151-F168 HydrophobicContact CD1-CD1 4.5Å; F151-F168 HydrophobicContact CD1-CD2 4.32Å; F151-F168 HydrophobicContact CD1-CG 4.28Å; F151-F168 AromaticContact CE1-CD1 3.75Å; F151-F168 HydrophobicContact CE1-CD1 3.75Å; F151-F168 AromaticContact CE1-CD2 3.59Å; F151-F168 HydrophobicContact CE1-CD2 3.59Å; F151-F168 AromaticContact CE1-CE1 3.62Å; F151-F168 HydrophobicContact CE1-CE1 3.62Å; F151-F168 AromaticContact CE1-CE2 3.47Å; F151-F168 HydrophobicContact CE1-CE2 3.47Å; F151-F168 VanDerWaalsContact CE1-CE2 3.47Å; F151-F168 AromaticContact CE1-CG 3.72Å; F151-F168 HydrophobicContact CE1-CG 3.72Å; F151-F168 AromaticContact CE1-CZ 3.48Å; F151-F168 HydrophobicContact CE1-CZ 3.48Å; F151-F168 VanDerWaalsContact CE1-CZ 3.48Å; F151-F168 HydrophobicContact CZ-CD2 4.35Å; F151-F168 HydrophobicContact CZ-CE1 4.19Å; F151-F168 AromaticContact CZ-CE2 3.8Å; F151-F168 HydrophobicContact CZ-CE2 3.8Å; F151-F168 AromaticContact CZ-CZ 3.7Å; F151-F168 HydrophobicContact CZ-CZ 3.7Å; F151-D249 HydrophobicContact CD2-CB 3.56Å; F151-D249 HydrophobicContact CE2-CB 3.84Å; F151-D249 HydrophobicContact CG-CB 4.49Å; F151-D249 PolarHBondContact N-OD1 3.11Å; F151-L250 HydrophobicContact CE2-CD2 4.34Å; F151-M253 HydrophobicContact CD2-CB 4.47Å; F151-M253 HydrophobicContact CD2-CG 4.39Å; F151-L254 HydrophobicContact CE2-CB 3.76Å; F151-L254 HydrophobicContact CZ-CB 4.2Å; F151-L254 HydrophobicContact CZ-CD2 4.39Å
152E98.7Very high97.7Very high15 Ų1546.1 Ų46.17%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-102146.1154.8-57.3-58.2158.900109.6I165 I166 E167 T204 I206 H307 G309E152-I165 WeakPolarHBondContact O-CA 3.32Å; E152-I166 HydrophobicContact CB-CG1 4.09Å; E152-I166 WeakPolarHBondContact O-CG1 3.25Å; E152-I166 PolarHBondContact O-N 2.94Å; E152-E167 HydrophobicContact CB-CB 3.78Å; E152-E167 HydrophobicContact CG-CB 4.05Å; E152-E167 VanDerWaalsContact CG-OE2 3.31Å; E152-E167 WeakPolarHBondContact CG-OE2 3.45Å; E152-E167 PolarHBondContact N-O 2.99Å; E152-E167 PolarHBondContact O-N 3.35Å; E152-T204 HydrophobicContact CB-CG2 4.15Å; E152-T204 HydrophobicContact CG-CG2 4.32Å; E152-T204 WeakPolarHBondContact OE2-CG2 3.36Å; E152-I206 HydrophobicContact CB-CD1 3.84Å; E152-I206 HydrophobicContact CG-CD1 4.2Å; E152-H307 WeakPolarHBondContact OE1-CA 3.3Å; E152-H307 VanDerWaalsContact OE1-O 3.05Å; E152-G309 PolarHBondContact OE1-N 2.95Å
153A98.8Very high97.7Very high8 Ų840.4 Ų40.47%0.06620%0.201CC..EExtended strand (participates in β ladder)trans-137155-177.600000112.3C155 E164 W248 M253A153-C155 PolarHBondContact O-N 3.46Å; A153-E164 CarbonylContact C-O 3.16Å; A153-E164 WeakPolarHBondContact CA-O 3.07Å; A153-E164 WeakPolarHBondContact CB-O 3.45Å; A153-W248 HydrophobicContact CB-CH2 3.89Å; A153-M253 HydrophobicContact CB-CE 3.8Å; A153-M253 HydrophobicContact CB-SD 4.18Å
154T98.7Very high97.7Very high3 Ų338.8 Ų38.82%0.01820%0.195CC..  trans-55128.1170.361.70000109.9Q163 E164 I166 P190 L196T154-Q163 WeakPolarHBondContact O-CG 3.24Å; T154-Q163 PolarHBondContact O-OE1 3.11Å; T154-E164 HydrophobicContact CG2-CB 4.04Å; T154-E164 PolarHBondContact N-O 3Å; T154-E164 PolarHBondContact OG1-N 3.24Å; T154-I166 HydrophobicContact CG2-CG2 3.56Å; T154-P190 HydrophobicContact CG2-CB 3.73Å; T154-P190 HydrophobicContact CG2-CG 3.94Å; T154-L196 HydrophobicContact CG2-CD2 4.12Å
155C98.3Very high97.7Very high4 Ų433.8 Ų33.83%0.02717%0.172CC..  trans-146.9162.8-179.158.80000112.5A153 T197 F199A153-C155 PolarHBondContact O-N 3.46Å; C155-T197 PolarHBondContact O-OG1 3.37Å; C155-F199 HydrophobicContact CB-CE1 4.36Å
156D97.6Very high97.7Very high54 Ų5431.3 Ų31.329%0.28916%0.162SC..  trans-155.2179.3174.1-153.1-10.2000110.5P158 Q159 I160 T197D156-P158 VanDerWaalsContact C-C 3.49Å; D156-P158 CarbonylContact C-O 3.59Å; D156-P158 WeakPolarHBondContact CB-O 3.41Å; D156-P158 CarbonylContact O-C 3.44Å; D156-P158 VanDerWaalsContact O-C 3.26Å; D156-Q159 WeakPolarHBondContact O-CA 3.42Å; D156-Q159 PolarHBondContact O-N 3.45Å; D156-I160 HydrophobicContact CB-CG1 4.42Å; D156-I160 HydrophobicContact CB-CG2 3.76Å; D156-T197 HydrophobicContact CB-CG2 3.95Å
157K93.6Very high97.7Very high130 Ų13031.3 Ų31.357%0.56516%0.162SC*.SBendtrans-125.8100.1172.9-73177.9170.8167.60109.7F199K157-F199 HydrophobicContact CD-CD2 3.81Å; K157-F199 HydrophobicContact CD-CE1 4.48Å; K157-F199 HydrophobicContact CD-CE2 3.64Å; K157-F199 HydrophobicContact CD-CG 4.34Å; K157-F199 HydrophobicContact CD-CZ 3.99Å; K157-F199 HydrophobicContact CG-CD1 4.22Å; K157-F199 HydrophobicContact CG-CD2 4.2Å; K157-F199 HydrophobicContact CG-CE1 4.11Å; K157-F199 HydrophobicContact CG-CE2 4.15Å; K157-F199 HydrophobicContact CG-CG 4.25Å; K157-F199 HydrophobicContact CG-CZ 4.08Å
158P93.5Very high97.7Very high119 Ų11931.3 Ų31.377%0.77316%0.162SC*.SBendcis-73.11626.332.3-36.9000113.4D156 I160D156-P158 VanDerWaalsContact C-C 3.49Å; D156-P158 CarbonylContact C-O 3.59Å; D156-P158 WeakPolarHBondContact CB-O 3.41Å; D156-P158 CarbonylContact O-C 3.44Å; D156-P158 VanDerWaalsContact O-C 3.26Å; P158-I160 PolarHBondContact O-N 3.41Å
159Q94.5Very high97.7Very high62 Ų6231.3 Ų31.329%0.2916%0.162SC..PPolyproline II helixtrans-57.2129.7-178.3-173.765.762.900112D156 Q163D156-Q159 WeakPolarHBondContact O-CA 3.42Å; D156-Q159 PolarHBondContact O-N 3.45Å; Q159-Q163 VanDerWaalsContact CD-CD 3.49Å
160I96.5Very high97.7Very high31 Ų3131.3 Ų31.316%0.15916%0.162CC..PPolyproline II helixtrans-81.2152172.554.7171.4000112D156 P158 Q163 H193D156-I160 HydrophobicContact CB-CG1 4.42Å; D156-I160 HydrophobicContact CB-CG2 3.76Å; P158-I160 PolarHBondContact O-N 3.41Å; I160-Q163 WeakPolarHBondContact O-CG 3.36Å; I160-H193 HydrophobicContact CD1-CB 4.18Å
161H96.2Very high97.7Very high137 Ų13730.6 Ų30.663%0.63416%0.158SC*.SBendtrans-136.4142.8178.8-68.7-76000111.4H193H161-H193 PolarHBondContact O-NE2 3.37Å
162P97.3Very high97.7Very high33 Ų3330.8 Ų30.821%0.21416%0.159CC..SBendcis-61.8153.9-14.731.4-35.8000110.9V192 H193 Y260P162-V192 HydrophobicContact CG-CB 4.09Å; P162-V192 HydrophobicContact CG-CG1 4Å; P162-V192 HydrophobicContact CG-CG2 3.95Å; P162-H193 PolarHBondContact O-CD2 3.18Å; P162-Y260 HydrophobicContact CB-CD2 4.43Å; P162-Y260 HydrophobicContact CG-CD1 4.47Å; P162-Y260 HydrophobicContact CG-CD2 4.42Å; P162-Y260 HydrophobicContact CG-CE1 4.12Å; P162-Y260 HydrophobicContact CG-CE2 4.06Å
163Q98.6Very high97.7Very high30 Ų3030 Ų3014%0.1416%0.156CC..  trans-79.7148.1162.9-69.6-174.481.500108.2T154 Q159 I160 M253T154-Q163 WeakPolarHBondContact O-CG 3.24Å; T154-Q163 PolarHBondContact O-OE1 3.11Å; Q159-Q163 VanDerWaalsContact CD-CD 3.49Å; I160-Q163 WeakPolarHBondContact O-CG 3.36Å; Q163-M253 HydrophobicContact CB-CE 3.84Å; Q163-M253 HydrophobicContact CB-SD 3.92Å; Q163-M253 WeakPolarHBondContact O-CE 3.42Å
164E98.8Very high97.7Very high7 Ų731.4 Ų31.43%0.03316%0.162CC..  trans-126.1132.1178-61.8177.195.700110A153 T154 I166 P190 V191 V192 H193 M253A153-E164 CarbonylContact C-O 3.16Å; A153-E164 WeakPolarHBondContact CA-O 3.07Å; A153-E164 WeakPolarHBondContact CB-O 3.45Å; T154-E164 HydrophobicContact CG2-CB 4.04Å; T154-E164 PolarHBondContact N-O 3Å; T154-E164 PolarHBondContact OG1-N 3.24Å; E164-I166 PolarHBondContact O-N 3.13Å; E164-P190 HydrophobicContact CB-CB 3.89Å; E164-P190 HydrophobicContact CG-CB 4.43Å; E164-P190 WeakPolarHBondContact OE2-CB 3.13Å; E164-V191 PolarHBondContact OE1-N 3.49Å; E164-V192 VanDerWaalsContact CD-N 3.34Å; E164-V192 PolarHBondContact OE1-N 2.85Å; E164-V192 WeakPolarHBondContact OE2-CA 3.43Å; E164-V192 WeakPolarHBondContact OE2-CB 3.42Å; E164-V192 PolarHBondContact OE2-N 2.96Å; E164-H193 PolarHBondContact OE2-N 3.34Å; E164-M253 VanDerWaalsContact C-CE 3.46Å
165I98.9Very high97.7Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-59.9133.1172.4-65.7165.6000108.1F151 E152 E167 F168 V188 L217 M253 L254 Q257F151-I165 HydrophobicContact CB-CG1 4.46Å; F151-I165 HydrophobicContact CB-CG2 4.5Å; F151-I165 HydrophobicContact CD1-CD1 4.22Å; F151-I165 HydrophobicContact CD1-CG1 4.47Å; F151-I165 HydrophobicContact CD1-CG2 3.99Å; F151-I165 HydrophobicContact CD2-CD1 3.97Å; F151-I165 HydrophobicContact CD2-CG1 4.29Å; F151-I165 HydrophobicContact CE1-CD1 4.15Å; F151-I165 HydrophobicContact CE2-CD1 3.9Å; F151-I165 HydrophobicContact CG-CD1 4.14Å; F151-I165 HydrophobicContact CG-CG1 4.18Å; F151-I165 HydrophobicContact CG-CG2 4.34Å; F151-I165 HydrophobicContact CZ-CD1 3.98Å; E152-I165 WeakPolarHBondContact O-CA 3.32Å; I165-E167 WeakPolarHBondContact CG2-O 3.37Å; I165-F168 HydrophobicContact CG2-CD2 4.35Å; I165-V188 HydrophobicContact CG2-CG2 4.06Å; I165-V188 WeakPolarHBondContact O-CB 3.22Å; I165-L217 HydrophobicContact CB-CD1 4.4Å; I165-L217 HydrophobicContact CD1-CD1 4.11Å; I165-L217 HydrophobicContact CD1-CD2 4.29Å; I165-M253 HydrophobicContact CB-CE 4.46Å; I165-M253 HydrophobicContact CD1-CG 4.32Å; I165-M253 HydrophobicContact CG1-CE 3.66Å; I165-M253 HydrophobicContact CG1-CG 3.84Å; I165-M253 VanDerWaalsContact N-CE 3.27Å; I165-L254 HydrophobicContact CD1-CB 4.43Å; I165-L254 HydrophobicContact CD1-CD1 4.13Å; I165-Q257 VanDerWaalsContact CG1-OE1 3.29Å
166I98.9Very high97.7Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-122.9-14.5178.560.8174.5000113.3E152 T154 E164 Y187 V188 P190 L196 I206 V211E152-I166 HydrophobicContact CB-CG1 4.09Å; E152-I166 WeakPolarHBondContact O-CG1 3.25Å; E152-I166 PolarHBondContact O-N 2.94Å; T154-I166 HydrophobicContact CG2-CG2 3.56Å; E164-I166 PolarHBondContact O-N 3.13Å; I166-Y187 CarbonylContact O-C 3.49Å; I166-Y187 VanDerWaalsContact O-CA 3.32Å; I166-Y187 WeakPolarHBondContact O-CA 3.36Å; I166-Y187 WeakPolarHBondContact O-CD1 3.49Å; I166-V188 PolarHBondContact O-N 2.8Å; I166-P190 HydrophobicContact CG2-CB 4.23Å; I166-P190 HydrophobicContact CG2-CG 3.89Å; I166-L196 HydrophobicContact CD1-CD1 4.44Å; I166-L196 HydrophobicContact CD1-CD2 4.08Å; I166-L196 HydrophobicContact CG2-CD2 4.18Å; I166-I206 HydrophobicContact CD1-CB 4.44Å; I166-I206 HydrophobicContact CD1-CD1 3.76Å; I166-I206 HydrophobicContact CD1-CG2 4.47Å; I166-I206 HydrophobicContact CG1-CD1 3.83Å; I166-V211 HydrophobicContact CB-CG1 4.06Å; I166-V211 HydrophobicContact CG2-CG1 4.45Å
167E98.9Very high97.7Very high0 Ų037.1 Ų37.10%019%0.185CC..EExtended strand (participates in β ladder)trans-136.8130.1171.4-166.4179.6176.500109.6E152 I165 P169 H185 Y187 I206 G309 I310E152-E167 HydrophobicContact CB-CB 3.78Å; E152-E167 HydrophobicContact CG-CB 4.05Å; E152-E167 VanDerWaalsContact CG-OE2 3.31Å; E152-E167 WeakPolarHBondContact CG-OE2 3.45Å; E152-E167 PolarHBondContact N-O 2.99Å; E152-E167 PolarHBondContact O-N 3.35Å; I165-E167 WeakPolarHBondContact CG2-O 3.37Å; E167-P169 WeakPolarHBondContact O-CD 3.29Å; E167-H185 IonicContact OE1-CD2 3.96Å; E167-H185 IonicContact OE1-CE1 3.64Å; E167-H185 IonicContact OE1-NE2 2.73Å; E167-H185 PolarHBondContact OE1-NE2 2.92Å; E167-Y187 HydrophobicContact CB-CD1 4.13Å; E167-Y187 HydrophobicContact CB-CE1 4.19Å; E167-Y187 HydrophobicContact CG-CD1 4Å; E167-Y187 HydrophobicContact CG-CE1 3.73Å; E167-I206 HydrophobicContact CB-CD1 3.86Å; E167-G309 PolarHBondContact OE1-N 3.44Å; E167-G309 PolarHBondContact OE2-N 2.98Å; E167-I310 PolarHBondContact OE1-N 2.91Å; E167-I310 VanDerWaalsContact OE1-N 3.16Å
168F98.9Very high98Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-125.682.4-178.7-155.1-48.9000110.5L149 F151 I165 I170 F184 M186 V188 L217 V220 L221 V224 F269L149-F168 HydrophobicContact CD1-CD1 4.47Å; L149-F168 HydrophobicContact CD1-CE1 3.66Å; L149-F168 HydrophobicContact CD1-CZ 4.12Å; F151-F168 HydrophobicContact CD1-CD1 4.5Å; F151-F168 HydrophobicContact CD1-CD2 4.32Å; F151-F168 HydrophobicContact CD1-CG 4.28Å; F151-F168 AromaticContact CE1-CD1 3.75Å; F151-F168 HydrophobicContact CE1-CD1 3.75Å; F151-F168 AromaticContact CE1-CD2 3.59Å; F151-F168 HydrophobicContact CE1-CD2 3.59Å; F151-F168 AromaticContact CE1-CE1 3.62Å; F151-F168 HydrophobicContact CE1-CE1 3.62Å; F151-F168 AromaticContact CE1-CE2 3.47Å; F151-F168 HydrophobicContact CE1-CE2 3.47Å; F151-F168 VanDerWaalsContact CE1-CE2 3.47Å; F151-F168 AromaticContact CE1-CG 3.72Å; F151-F168 HydrophobicContact CE1-CG 3.72Å; F151-F168 AromaticContact CE1-CZ 3.48Å; F151-F168 HydrophobicContact CE1-CZ 3.48Å; F151-F168 VanDerWaalsContact CE1-CZ 3.48Å; F151-F168 HydrophobicContact CZ-CD2 4.35Å; F151-F168 HydrophobicContact CZ-CE1 4.19Å; F151-F168 AromaticContact CZ-CE2 3.8Å; F151-F168 HydrophobicContact CZ-CE2 3.8Å; F151-F168 AromaticContact CZ-CZ 3.7Å; F151-F168 HydrophobicContact CZ-CZ 3.7Å; I165-F168 HydrophobicContact CG2-CD2 4.35Å; F168-I170 HydrophobicContact CD1-CD1 4.25Å; F168-I170 HydrophobicContact CD1-CG1 4Å; F168-I170 HydrophobicContact CE1-CD1 3.73Å; F168-I170 HydrophobicContact CE1-CG1 3.82Å; F168-F184 HydrophobicContact CD1-CD1 4.43Å; F168-F184 HydrophobicContact CD1-CE1 4.16Å; F168-F184 HydrophobicContact CG-CE1 4.5Å; F168-F184 WeakPolarHBondContact O-CD1 3.37Å; F168-M186 PolarHBondContact N-O 3.37Å; F168-M186 PolarHBondContact O-N 3.45Å; F168-V188 HydrophobicContact CB-CG2 4.12Å; F168-L217 HydrophobicContact CD2-CD1 4.13Å; F168-L217 HydrophobicContact CE2-CD1 4.26Å; F168-V220 HydrophobicContact CB-CG1 3.86Å; F168-V220 HydrophobicContact CD2-CG1 3.83Å; F168-V220 HydrophobicContact CG-CG1 3.93Å; F168-L221 HydrophobicContact CE2-CD2 3.71Å; F168-L221 HydrophobicContact CZ-CD2 4.08Å; F168-V224 HydrophobicContact CD1-CG2 4.13Å; F168-V224 HydrophobicContact CE1-CG2 3.83Å; F168-V224 HydrophobicContact CZ-CG2 4.08Å; F168-F269 HydrophobicContact CE1-CZ 4.43Å; F168-F269 HydrophobicContact CZ-CE1 4.08Å; F168-F269 AromaticContact CZ-CZ 3.74Å; F168-F269 HydrophobicContact CZ-CZ 3.74Å
169P98.9Very high98.2Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-91.1142.1173.634.3-29.5000111.8D150 E167 F184 G309 I310D150-P169 WeakPolarHBondContact O-CD 3.46Å; D150-P169 WeakPolarHBondContact O-CG 3.33Å; E167-P169 WeakPolarHBondContact O-CD 3.29Å; P169-F184 CarbonylContact C-O 3.55Å; P169-F184 WeakPolarHBondContact CA-O 3.44Å; P169-G309 VanDerWaalsContact CG-C 3.46Å; P169-I310 HydrophobicContact CB-CB 4.15Å; P169-I310 HydrophobicContact CB-CD1 3.86Å
170I98.9Very high98.4Very high0 Ų030.8 Ų30.80%015%0.149CC..EExtended strand (participates in β ladder)trans-137.5126.8167.2-42.4174.9000109.3L147 V148 L149 F168 F184 V224 W227 F242L147-I170 HydrophobicContact CB-CG2 4.08Å; V148-I170 CarbonylContact O-C 3.47Å; V148-I170 VanDerWaalsContact O-CA 3.22Å; V148-I170 WeakPolarHBondContact O-CA 3.39Å; L149-I170 HydrophobicContact CD1-CG1 4.34Å; F168-I170 HydrophobicContact CD1-CD1 4.25Å; F168-I170 HydrophobicContact CD1-CG1 4Å; F168-I170 HydrophobicContact CE1-CD1 3.73Å; F168-I170 HydrophobicContact CE1-CG1 3.82Å; I170-F184 HydrophobicContact CB-CB 4.07Å; I170-F184 HydrophobicContact CD1-CB 4.49Å; I170-F184 HydrophobicContact CD1-CD1 4.16Å; I170-F184 HydrophobicContact CD1-CG 4.46Å; I170-F184 HydrophobicContact CG1-CB 4.36Å; I170-F184 HydrophobicContact CG1-CD1 4.1Å; I170-F184 PolarHBondContact N-O 3.48Å; I170-F184 PolarHBondContact O-N 3.36Å; I170-V224 HydrophobicContact CD1-CG1 3.68Å; I170-V224 HydrophobicContact CD1-CG2 4Å; I170-W227 HydrophobicContact CB-CH2 4.35Å; I170-W227 HydrophobicContact CB-CZ3 4.36Å; I170-W227 HydrophobicContact CD1-CZ3 4.31Å; I170-W227 HydrophobicContact CG2-CH2 3.99Å; I170-W227 HydrophobicContact CG2-CZ3 4.01Å; I170-F242 HydrophobicContact CD1-CE1 4.28Å; I170-F242 HydrophobicContact CD1-CZ 4.49Å; I170-F242 HydrophobicContact CG2-CE1 4.07Å
171L98.9Very high98.6Very high2 Ų233.7 Ų33.71%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-105.4124168-54.1178000110.2L147 V148 L173 I180 T183 I310 C313 K314 A317L147-L171 CarbonylContact C-O 3.56Å; L147-L171 WeakPolarHBondContact CA-O 3.34Å; V148-L171 HydrophobicContact CB-CB 4.2Å; V148-L171 PolarHBondContact N-O 3.21Å; V148-L171 PolarHBondContact O-N 2.94Å; L171-L173 HydrophobicContact CB-CD2 4.12Å; L171-L173 PolarHBondContact O-N 3.35Å; L171-I180 HydrophobicContact CB-CG2 4.47Å; L171-I180 HydrophobicContact CD1-CD1 3.97Å; L171-I180 HydrophobicContact CD1-CG1 4.33Å; L171-I180 HydrophobicContact CD2-CG2 4.25Å; L171-T183 HydrophobicContact CD2-CG2 3.77Å; L171-T183 WeakPolarHBondContact CD2-OG1 3.41Å; L171-I310 HydrophobicContact CD2-CD1 3.83Å; L171-C313 HydrophobicContact CD1-CB 3.69Å; L171-C313 HydrophobicContact CG-CB 3.9Å; L171-K314 HydrophobicContact CD1-CG 4.17Å; L171-A317 HydrophobicContact CD1-CB 4.35Å
172K98.9Very high98.7Very high11 Ų1128.1 Ų28.15%0.04814%0.139CC..EExtended strand (participates in β ladder)trans-84.3110.4169178.5-179.4167.9-177.80108.9Y145 L147 E181 S182 W227 E231 L233Y145-K172 HydrophobicContact CD1-CD 4.41Å; Y145-K172 HydrophobicContact CD1-CG 4.01Å; Y145-K172 VanDerWaalsContact CE1-CE 3.48Å; Y145-K172 HydrophobicContact CG-CG 4.29Å; L147-K172 HydrophobicContact CD2-CB 4.22Å; L147-K172 HydrophobicContact CD2-CG 4.24Å; K172-E181 PolarHBondContact O-N 3.45Å; K172-S182 PolarHBondContact N-O 3.14Å; K172-W227 HydrophobicContact CB-CH2 3.86Å; K172-W227 HydrophobicContact CB-CZ2 4.02Å; K172-E231 HydrophobicContact CD-CB 4.17Å; K172-E231 HydrophobicContact CD-CG 4.27Å; K172-E231 WeakPolarHBondContact CD-OE2 3.25Å; K172-E231 PolarHBondContact NZ-O 2.84Å; K172-E231 IonicContact NZ-OE2 2.74Å; K172-E231 PolarHBondContact NZ-OE2 2.88Å; K172-L233 HydrophobicContact CD-CD1 4.33Å
173L98.9Very high98.7Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-97.8137.3175.6-50.3-172.3000111.1Y145 F146 V148 L171 G175 E179 I180 A317 M320Y145-L173 VanDerWaalsContact CA-O 3.29Å; Y145-L173 WeakPolarHBondContact CA-O 3.5Å; Y145-L173 WeakPolarHBondContact CD1-O 3.17Å; F146-L173 HydrophobicContact CB-CB 4.29Å; F146-L173 PolarHBondContact N-O 2.82Å; F146-L173 VanDerWaalsContact N-O 3.07Å; F146-L173 PolarHBondContact O-N 2.93Å; V148-L173 HydrophobicContact CG2-CD1 3.6Å; V148-L173 HydrophobicContact CG2-CG 4.02Å; L171-L173 HydrophobicContact CB-CD2 4.12Å; L171-L173 PolarHBondContact O-N 3.35Å; L173-G175 PolarHBondContact O-N 3.04Å; L173-E179 CarbonylContact C-O 3.41Å; L173-E179 VanDerWaalsContact CA-O 3.3Å; L173-E179 WeakPolarHBondContact CA-O 3.45Å; L173-I180 HydrophobicContact CD2-CB 4.19Å; L173-I180 HydrophobicContact CD2-CG1 3.46Å; L173-I180 VanDerWaalsContact CD2-CG1 3.46Å; L173-A317 HydrophobicContact CD1-CB 3.75Å; L173-A317 HydrophobicContact CD2-CB 3.84Å; L173-A317 HydrophobicContact CG-CB 4.42Å; L173-M320 HydrophobicContact CD1-CE 4.38Å; L173-M320 HydrophobicContact CD1-SD 4.01Å
174N98.8Very high98.8Very high36 Ų3629.6 Ų29.619%0.19315%0.148CC..EExtended strand (participates in β ladder)trans-57.7124.1167.3-175.1-76.7000110R176 T177 M178 E179 E181N174-R176 PolarHBondContact O-N 3.3Å; N174-R176 VanDerWaalsContact O-N 3.09Å; N174-R176 WeakPolarHBondContact OD1-CA 3.39Å; N174-R176 WeakPolarHBondContact OD1-CB 3.37Å; N174-R176 PolarHBondContact OD1-N 2.79Å; N174-T177 WeakPolarHBondContact CB-OG1 3.49Å; N174-T177 PolarHBondContact O-N 3.02Å; N174-T177 PolarHBondContact OD1-N 3.29Å; N174-T177 PolarHBondContact OD1-OG1 3.21Å; N174-M178 VanDerWaalsContact O-CA 3.31Å; N174-M178 WeakPolarHBondContact O-CA 3.41Å; N174-M178 PolarHBondContact O-N 3.07Å; N174-E179 PolarHBondContact N-O 2.79Å; N174-E181 HydrophobicContact CB-CG 4.11Å; N174-E181 VanDerWaalsContact CB-OE1 3.32Å; N174-E181 WeakPolarHBondContact CB-OE1 3.48Å; N174-E181 PolarHBondContact ND2-OE1 2.88Å
175G98.7Very high98.8Very high3 Ų332.6 Ų32.63%0.03116%0.162CC..THydrogen-bonded Turntrans-63.7-17.5-17600000114.3Q141 H144 L173Q141-G175 VanDerWaalsContact CB-O 3.22Å; Q141-G175 WeakPolarHBondContact CB-O 3.49Å; Q141-G175 WeakPolarHBondContact CG-O 3.38Å; H144-G175 WeakPolarHBondContact O-CA 3.22Å; H144-G175 PolarHBondContact O-N 3.4Å; L173-G175 PolarHBondContact O-N 3.04Å
176R97.9Very high98.8Very high122 Ų12234.3 Ų34.346%0.4617%0.17SC..THydrogen-bonded Turntrans-94.5-49.4176.6-173.662.5-177.3-96.22.4112.6F138 N174F138-R176 WeakPolarHBondContact CD1-O 3.45Å; F138-R176 PolarHBondContact O-NE 3.27Å; F138-R176 PolarHBondContact O-NH2 2.75Å; N174-R176 PolarHBondContact O-N 3.3Å; N174-R176 VanDerWaalsContact O-N 3.09Å; N174-R176 WeakPolarHBondContact OD1-CA 3.39Å; N174-R176 WeakPolarHBondContact OD1-CB 3.37Å; N174-R176 PolarHBondContact OD1-N 2.79Å
177T98.2Very high98.8Very high56 Ų5636.7 Ų36.734%0.34418%0.18SC..THydrogen-bonded Turntrans-98.4-15.2-169.261.20000113.8F138 N174 E179F138-T177 WeakPolarHBondContact CE1-O 3.17Å; N174-T177 WeakPolarHBondContact CB-OG1 3.49Å; N174-T177 PolarHBondContact O-N 3.02Å; N174-T177 PolarHBondContact OD1-N 3.29Å; N174-T177 PolarHBondContact OD1-OG1 3.21Å; T177-E179 PolarHBondContact O-N 3.37Å; T177-E179 WeakPolarHBondContact OG1-CG 3.26Å; T177-E179 PolarHBondContact OG1-N 3.28Å
178M98.7Very high98.8Very high4 Ų436.7 Ų36.72%0.0218%0.18CC..  trans61.216.2-171.1-50.5-67.2162.900113.8Q141 F146 N174 M320 K321 A324 F330Q141-M178 HydrophobicContact CG-CE 3.85Å; F146-M178 HydrophobicContact CD2-CE 3.86Å; F146-M178 HydrophobicContact CD2-SD 3.76Å; F146-M178 HydrophobicContact CE2-CE 3.43Å; F146-M178 VanDerWaalsContact CE2-CE 3.43Å; F146-M178 HydrophobicContact CE2-SD 3.99Å; F146-M178 HydrophobicContact CZ-CE 4.24Å; N174-M178 VanDerWaalsContact O-CA 3.31Å; N174-M178 WeakPolarHBondContact O-CA 3.41Å; N174-M178 PolarHBondContact O-N 3.07Å; M178-M320 HydrophobicContact SD-CB 4.38Å; M178-M320 HydrophobicContact SD-CE 3.95Å; M178-K321 HydrophobicContact CB-CB 3.83Å; M178-K321 HydrophobicContact CB-CG 4.16Å; M178-A324 HydrophobicContact CE-CB 3.95Å; M178-A324 HydrophobicContact CG-CB 3.87Å; M178-F330 HydrophobicContact CE-CD2 3.8Å; M178-F330 HydrophobicContact CE-CE2 3.72Å; M178-F330 HydrophobicContact SD-CE2 4.41Å
179E98.7Very high98.8Very high95 Ų9540.2 Ų40.244%0.44420%0.196SC..  trans-71.2143.5171.3-61.3-59.9166.500110.4L173 N174 T177 E181 K321L173-E179 CarbonylContact C-O 3.41Å; L173-E179 VanDerWaalsContact CA-O 3.3Å; L173-E179 WeakPolarHBondContact CA-O 3.45Å; N174-E179 PolarHBondContact N-O 2.79Å; T177-E179 PolarHBondContact O-N 3.37Å; T177-E179 WeakPolarHBondContact OG1-CG 3.26Å; T177-E179 PolarHBondContact OG1-N 3.28Å; E179-E181 PolarHBondContact O-N 3.05Å; E179-K321 WeakPolarHBondContact OE1-CE 3.4Å; E179-K321 IonicContact OE1-NZ 3.7Å; E179-K321 PolarHBondContact OE1-NZ 3.33Å; E179-K321 IonicContact OE2-NZ 3.58Å; E179-K321 PolarHBondContact OE2-NZ 3.37Å
180I98.8Very high98.7Very high79 Ų7940.3 Ų40.341%0.40520%0.197SC..EExtended strand (participates in β ladder)trans-74.8118.2175.5-58.9163.2000108.3L171 L173L171-I180 HydrophobicContact CB-CG2 4.47Å; L171-I180 HydrophobicContact CD1-CD1 3.97Å; L171-I180 HydrophobicContact CD1-CG1 4.33Å; L171-I180 HydrophobicContact CD2-CG2 4.25Å; L173-I180 HydrophobicContact CD2-CB 4.19Å; L173-I180 HydrophobicContact CD2-CG1 3.46Å; L173-I180 VanDerWaalsContact CD2-CG1 3.46Å
181E98.9Very high98.7Very high92 Ų9245.5 Ų45.543%0.4323%0.228SC..EExtended strand (participates in β ladder)trans-101.6-26.2179.2-66.5-170168.600113.2Y145 K172 N174 E179Y145-E181 WeakPolarHBondContact CE1-OE2 3.28Å; K172-E181 PolarHBondContact O-N 3.45Å; N174-E181 HydrophobicContact CB-CG 4.11Å; N174-E181 VanDerWaalsContact CB-OE1 3.32Å; N174-E181 WeakPolarHBondContact CB-OE1 3.48Å; N174-E181 PolarHBondContact ND2-OE1 2.88Å; E179-E181 PolarHBondContact O-N 3.05Å
182S98.8Very high98.7Very high21 Ų2148 Ų4815%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-154.7152.9177.3-171.10000110.4K172 W227 E231K172-S182 PolarHBondContact N-O 3.14Å; S182-W227 PolarHBondContact OG-NE1 2.99Å; S182-E231 WeakPolarHBondContact CB-OE1 3.31Å; S182-E231 VanDerWaalsContact OG-CD 3.27Å; S182-E231 PolarHBondContact OG-OE1 2.86Å
183T98.8Very high98.7Very high77 Ų7750.3 Ų50.347%0.47225%0.254SS..EExtended strand (participates in β ladder)trans-130.9124.5-179.5-62.50000109L171 H185 I310L171-T183 HydrophobicContact CD2-CG2 3.77Å; L171-T183 WeakPolarHBondContact CD2-OG1 3.41Å; T183-H185 HydrophobicContact CG2-CB 4.34Å; T183-I310 HydrophobicContact CG2-CD1 3.96Å
184F98.9Very high98.6Very high16 Ų1652.9 Ų52.97%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-103133162.1179.6-84.9000108F168 P169 I170 M186 V220 R223 V224 W227F168-F184 HydrophobicContact CD1-CD1 4.43Å; F168-F184 HydrophobicContact CD1-CE1 4.16Å; F168-F184 HydrophobicContact CG-CE1 4.5Å; F168-F184 WeakPolarHBondContact O-CD1 3.37Å; P169-F184 CarbonylContact C-O 3.55Å; P169-F184 WeakPolarHBondContact CA-O 3.44Å; I170-F184 HydrophobicContact CB-CB 4.07Å; I170-F184 HydrophobicContact CD1-CB 4.49Å; I170-F184 HydrophobicContact CD1-CD1 4.16Å; I170-F184 HydrophobicContact CD1-CG 4.46Å; I170-F184 HydrophobicContact CG1-CB 4.36Å; I170-F184 HydrophobicContact CG1-CD1 4.1Å; I170-F184 PolarHBondContact N-O 3.48Å; I170-F184 PolarHBondContact O-N 3.36Å; F184-M186 HydrophobicContact CE1-CB 4.24Å; F184-M186 HydrophobicContact CE1-CG 3.82Å; F184-M186 HydrophobicContact CE1-SD 4.28Å; F184-M186 HydrophobicContact CE2-CG 4.29Å; F184-M186 HydrophobicContact CE2-SD 4.06Å; F184-M186 HydrophobicContact CZ-CB 4.42Å; F184-M186 HydrophobicContact CZ-CG 3.63Å; F184-M186 HydrophobicContact CZ-SD 3.52Å; F184-M186 VanDerWaalsContact CZ-SD 3.52Å; F184-V220 HydrophobicContact CE1-CG1 4.25Å; F184-V220 HydrophobicContact CZ-CG1 4.22Å; F184-R223 HydrophobicContact CE2-CB 4.06Å; F184-R223 HydrophobicContact CZ-CB 4.2Å; F184-V224 HydrophobicContact CD1-CG2 4.02Å; F184-V224 HydrophobicContact CE1-CG2 3.39Å; F184-V224 HydrophobicContact CE2-CG2 4Å; F184-V224 HydrophobicContact CZ-CB 4.38Å; F184-V224 HydrophobicContact CZ-CG2 3.37Å; F184-W227 HydrophobicContact CB-CD2 3.86Å; F184-W227 HydrophobicContact CB-CE3 4.28Å; F184-W227 HydrophobicContact CB-CG 4.14Å; F184-W227 HydrophobicContact CB-CZ2 4.2Å; F184-W227 HydrophobicContact CD2-CB 3.75Å; F184-W227 HydrophobicContact CD2-CD2 4.28Å; F184-W227 AromaticContact CD2-CG 3.78Å; F184-W227 HydrophobicContact CD2-CG 3.78Å; F184-W227 HydrophobicContact CE2-CB 4.26Å; F184-W227 HydrophobicContact CG-CD2 4.45Å; F184-W227 HydrophobicContact CG-CG 4.39Å
185H98.8Very high98.6Very high70 Ų7057.6 Ų57.632%0.32429%0.292SS..EExtended strand (participates in β ladder)trans-153.5122.3177.3-177-142.1000109.9E167 T183 I310E167-H185 IonicContact OE1-CD2 3.96Å; E167-H185 IonicContact OE1-CE1 3.64Å; E167-H185 IonicContact OE1-NE2 2.73Å; E167-H185 PolarHBondContact OE1-NE2 2.92Å; T183-H185 HydrophobicContact CG2-CB 4.34Å; H185-I310 HydrophobicContact CB-CD1 4.43Å
186M98.8Very high98.6Very high37 Ų3758.4 Ų58.418%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-140.1141.4175.9-62.2-164.373.300110.1F168 F184 P215 V220 R223F168-M186 PolarHBondContact N-O 3.37Å; F168-M186 PolarHBondContact O-N 3.45Å; F184-M186 HydrophobicContact CE1-CB 4.24Å; F184-M186 HydrophobicContact CE1-CG 3.82Å; F184-M186 HydrophobicContact CE1-SD 4.28Å; F184-M186 HydrophobicContact CE2-CG 4.29Å; F184-M186 HydrophobicContact CE2-SD 4.06Å; F184-M186 HydrophobicContact CZ-CB 4.42Å; F184-M186 HydrophobicContact CZ-CG 3.63Å; F184-M186 HydrophobicContact CZ-SD 3.52Å; F184-M186 VanDerWaalsContact CZ-SD 3.52Å; M186-P215 HydrophobicContact CE-CG 3.43Å; M186-P215 VanDerWaalsContact CE-CG 3.43Å; M186-V220 HydrophobicContact CB-CG1 4.23Å; M186-V220 HydrophobicContact CB-CG2 4.4Å; M186-V220 HydrophobicContact CE-CG2 4.42Å; M186-V220 HydrophobicContact SD-CG1 4.37Å; M186-V220 HydrophobicContact SD-CG2 4.27Å; M186-R223 HydrophobicContact SD-CB 4.08Å; M186-R223 WeakPolarHBondContact SD-CD 3.45Å; M186-R223 HydrophobicContact SD-CG 4.43Å
187Y98.9Very high98.6Very high49 Ų4953.5 Ų53.519%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-79155.9157.8-66.1-65.4000109.3I166 E167 I206 M210I166-Y187 CarbonylContact O-C 3.49Å; I166-Y187 VanDerWaalsContact O-CA 3.32Å; I166-Y187 WeakPolarHBondContact O-CA 3.36Å; I166-Y187 WeakPolarHBondContact O-CD1 3.49Å; E167-Y187 HydrophobicContact CB-CD1 4.13Å; E167-Y187 HydrophobicContact CB-CE1 4.19Å; E167-Y187 HydrophobicContact CG-CD1 4Å; E167-Y187 HydrophobicContact CG-CE1 3.73Å; Y187-I206 HydrophobicContact CD1-CD1 4.26Å; Y187-I206 HydrophobicContact CD1-CG2 4.37Å; Y187-I206 HydrophobicContact CE1-CD1 3.99Å; Y187-I206 HydrophobicContact CE1-CG1 3.97Å; Y187-I206 HydrophobicContact CE1-CG2 4.43Å; Y187-M210 WeakPolarHBondContact CB-O 3.37Å; Y187-M210 HydrophobicContact CD1-CE 4.48Å; Y187-M210 HydrophobicContact CD2-CB 4.28Å; Y187-M210 HydrophobicContact CD2-CE 4.44Å; Y187-M210 HydrophobicContact CE1-CE 3.62Å; Y187-M210 HydrophobicContact CE2-CB 4.4Å; Y187-M210 HydrophobicContact CE2-CE 3.56Å; Y187-M210 HydrophobicContact CG-CB 4.44Å; Y187-M210 WeakPolarHBondContact OH-CE 2.88Å
188V98.9Very high98.6Very high1 Ų156.1 Ų56.11%0.00630%0.297CS..  trans-126.8132.6-176.8-1680000108.1I165 I166 F168 P190 L217 V220I165-V188 HydrophobicContact CG2-CG2 4.06Å; I165-V188 WeakPolarHBondContact O-CB 3.22Å; I166-V188 PolarHBondContact O-N 2.8Å; F168-V188 HydrophobicContact CB-CG2 4.12Å; V188-P190 VanDerWaalsContact O-CD 3.29Å; V188-P190 WeakPolarHBondContact O-CD 3.39Å; V188-L217 HydrophobicContact CG1-CB 3.97Å; V188-V220 HydrophobicContact CG1-CG2 4.31Å; V188-V220 HydrophobicContact CG2-CB 4.42Å; V188-V220 HydrophobicContact CG2-CG1 4.24Å; V188-V220 HydrophobicContact CG2-CG2 4.04Å
189Q98.8Very high98.6Very high73 Ų7358 Ų5834%0.34131%0.305SS..  trans-81117.1177.2-173.1170.7-10.700110.1V211 Q214 P215Q189-V211 WeakPolarHBondContact CB-O 3.19Å; Q189-V211 WeakPolarHBondContact CG-O 3.38Å; Q189-Q214 HydrophobicContact CB-CB 4.17Å; Q189-Q214 VanDerWaalsContact CB-O 3.25Å; Q189-Q214 WeakPolarHBondContact CB-O 3.49Å; Q189-Q214 PolarHBondContact OE1-O 3.21Å; Q189-P215 PolarHBondContact N-O 3.04Å
190P98.7Very high98.6Very high2 Ų253.4 Ų53.41%0.01328%0.284CS..  trans-71.7147.1172.127.8-28.6000110.6T154 E164 I166 V188 L196T154-P190 HydrophobicContact CG2-CB 3.73Å; T154-P190 HydrophobicContact CG2-CG 3.94Å; E164-P190 HydrophobicContact CB-CB 3.89Å; E164-P190 HydrophobicContact CG-CB 4.43Å; E164-P190 WeakPolarHBondContact OE2-CB 3.13Å; I166-P190 HydrophobicContact CG2-CB 4.23Å; I166-P190 HydrophobicContact CG2-CG 3.89Å; V188-P190 VanDerWaalsContact O-CD 3.29Å; V188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-L196 HydrophobicContact CG-CD2 4.21Å
191V98.5Very high98.6Very high109 Ų10951.6 Ų51.666%0.66128%0.276SS*.SBendtrans-112.2-37.5-174.4179.60000111.6E164E164-V191 PolarHBondContact OE1-N 3.49Å
192V98.2Very high98.5Very high55 Ų5553.8 Ų53.833%0.33329%0.287SS..SBendtrans-78.6-45.1-177.7-1740000111P162 E164 P194 Y260P162-V192 HydrophobicContact CG-CB 4.09Å; P162-V192 HydrophobicContact CG-CG1 4Å; P162-V192 HydrophobicContact CG-CG2 3.95Å; E164-V192 VanDerWaalsContact CD-N 3.34Å; E164-V192 PolarHBondContact OE1-N 2.85Å; E164-V192 WeakPolarHBondContact OE2-CA 3.43Å; E164-V192 WeakPolarHBondContact OE2-CB 3.42Å; E164-V192 PolarHBondContact OE2-N 2.96Å; V192-P194 VanDerWaalsContact C-CD 3.45Å; V192-P194 WeakPolarHBondContact O-CD 3.43Å; V192-Y260 HydrophobicContact CG2-CE1 3.7Å
193H98.1Very high98.5Very high59 Ų5954.4 Ų54.427%0.27329%0.288SS..SBendtrans-119.671.1175.1-59.7-73000109.7I160 H161 P162 E164 Q195I160-H193 HydrophobicContact CD1-CB 4.18Å; H161-H193 PolarHBondContact O-NE2 3.37Å; P162-H193 PolarHBondContact O-CD2 3.18Å; E164-H193 PolarHBondContact OE2-N 3.34Å; H193-Q195 VanDerWaalsContact C-N 3.26Å; H193-Q195 PolarHBondContact O-N 2.96Å
194P98.4Very high98.4Very high54 Ų5450.9 Ų50.935%0.35127%0.267SS..  trans-67-25.9-170.526.7-35.4000113.5V192 Q208V192-P194 VanDerWaalsContact C-CD 3.45Å; V192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-Q208 PolarHBondContact O-NE2 3.08Å
195Q98.7Very high98.4Very high135 Ų13551.4 Ų51.463%0.63128%0.277SS*.SBendtrans-87.5114175.6-60.7-53.6119.700109.9H193 T197H193-Q195 VanDerWaalsContact C-N 3.26Å; H193-Q195 PolarHBondContact O-N 2.96Å; Q195-T197 PolarHBondContact O-N 3.43Å
196L98.6Very high98.4Very high20 Ų2048.2 Ų48.211%0.10526%0.262CS..  trans-63.7134.8174.5-57.6-174.4000110.1T154 I166 P190 I206 V211T154-L196 HydrophobicContact CG2-CD2 4.12Å; I166-L196 HydrophobicContact CD1-CD1 4.44Å; I166-L196 HydrophobicContact CD1-CD2 4.08Å; I166-L196 HydrophobicContact CG2-CD2 4.18Å; P190-L196 HydrophobicContact CG-CD2 4.21Å; L196-I206 HydrophobicContact CD1-CB 4.42Å; L196-I206 HydrophobicContact CD1-CG2 3.87Å; L196-V211 HydrophobicContact CD1-CG1 4.08Å; L196-V211 HydrophobicContact CD1-CG2 3.81Å; L196-V211 HydrophobicContact CD2-CG2 4.31Å; L196-V211 HydrophobicContact CG-CG2 3.93Å
197T98.4Very high98.4Very high20 Ų2050.7 Ų50.712%0.12328%0.275CS..  trans-73.1155178.374.80000110.4C155 D156 Q195 F199 C200 T201C155-T197 PolarHBondContact O-OG1 3.37Å; D156-T197 HydrophobicContact CB-CG2 3.95Å; Q195-T197 PolarHBondContact O-N 3.43Å; T197-F199 PolarHBondContact O-N 3.21Å; T197-C200 WeakPolarHBondContact O-CB 3.48Å; T197-C200 PolarHBondContact O-N 3.42Å; T197-C200 VanDerWaalsContact O-N 3.1Å; T197-C200 WeakPolarHBondContact OG1-CB 3.34Å; T197-C200 PolarHBondContact OG1-N 2.91Å; T197-T201 PolarHBondContact O-N 3.37Å
198P98.1Very high98.4Very high111 Ų11150.2 Ų50.272%0.72127%0.274SS*.Hα-helixtrans-55.8-38.3173.4-26.135.1000112.6T201 E202P198-T201 PolarHBondContact O-N 3.33Å; P198-E202 WeakPolarHBondContact O-CB 3.13Å; P198-E202 PolarHBondContact O-N 2.9Å
199F98.3Very high98.3Very high42 Ų4253.6 Ų53.618%0.18430%0.303CS..Hα-helixtrans-62.1-45.4176174.2-103.8000111.9C155 K157 T197 E202 L203C155-F199 HydrophobicContact CB-CE1 4.36Å; K157-F199 HydrophobicContact CD-CD2 3.81Å; K157-F199 HydrophobicContact CD-CE1 4.48Å; K157-F199 HydrophobicContact CD-CE2 3.64Å; K157-F199 HydrophobicContact CD-CG 4.34Å; K157-F199 HydrophobicContact CD-CZ 3.99Å; K157-F199 HydrophobicContact CG-CD1 4.22Å; K157-F199 HydrophobicContact CG-CD2 4.2Å; K157-F199 HydrophobicContact CG-CE1 4.11Å; K157-F199 HydrophobicContact CG-CE2 4.15Å; K157-F199 HydrophobicContact CG-CG 4.25Å; K157-F199 HydrophobicContact CG-CZ 4.08Å; T197-F199 PolarHBondContact O-N 3.21Å; F199-E202 PolarHBondContact O-N 2.93Å; F199-L203 HydrophobicContact CE1-CD2 4.08Å; F199-L203 HydrophobicContact CZ-CB 4.45Å; F199-L203 HydrophobicContact CZ-CD2 3.91Å; F199-L203 VanDerWaalsContact O-CB 3.28Å; F199-L203 WeakPolarHBondContact O-CB 3.46Å; F199-L203 PolarHBondContact O-N 3.36Å
200C98.4Very high98.3Very high0 Ų052.5 Ų52.50%030%0.298CS..Hα-helixtrans-59.4-50.4177.6-172.90000110.9T197 E202 L203 T204T197-C200 WeakPolarHBondContact O-CB 3.48Å; T197-C200 PolarHBondContact O-N 3.42Å; T197-C200 VanDerWaalsContact O-N 3.1Å; T197-C200 WeakPolarHBondContact OG1-CB 3.34Å; T197-C200 PolarHBondContact OG1-N 2.91Å; C200-E202 PolarHBondContact O-N 2.9Å; C200-L203 PolarHBondContact O-N 2.96Å; C200-T204 PolarHBondContact O-N 2.94Å; C200-T204 PolarHBondContact O-OG1 2.89Å
201T98.3Very high98.3Very high40 Ų4052.4 Ų52.425%0.24530%0.298CS..Hα-helixtrans-64.9-39.9-180-67.10000112.5T197 P198 G205 I206 I207T197-T201 PolarHBondContact O-N 3.37Å; P198-T201 PolarHBondContact O-N 3.33Å; T201-G205 WeakPolarHBondContact O-CA 3.21Å; T201-G205 PolarHBondContact O-N 2.83Å; T201-I206 WeakPolarHBondContact CA-O 3.43Å; T201-I206 WeakPolarHBondContact CB-O 3.35Å; T201-I206 WeakPolarHBondContact CG2-O 3.34Å; T201-I206 PolarHBondContact OG1-O 3Å; T201-I207 HydrophobicContact CG2-CG2 3.96Å
202E98Very high98.3Very high138 Ų13851.1 Ų51.165%0.64529%0.287SS*.Hα-helixtrans-63.3-43.7175.4-173.5-177.7163.200111.3P198 F199 C200 R305P198-E202 WeakPolarHBondContact O-CB 3.13Å; P198-E202 PolarHBondContact O-N 2.9Å; F199-E202 PolarHBondContact O-N 2.93Å; C200-E202 PolarHBondContact O-N 2.9Å; E202-R305 PolarHBondContact O-NH2 3.33Å
203L97.4Very high98.3Very high35 Ų3551.9 Ų51.918%0.18331%0.306CS..Hα-helixtrans-66.4-58.6179.7-175.666.1000110.9F199 C200 R305 H307F199-L203 HydrophobicContact CE1-CD2 4.08Å; F199-L203 HydrophobicContact CZ-CB 4.45Å; F199-L203 HydrophobicContact CZ-CD2 3.91Å; F199-L203 VanDerWaalsContact O-CB 3.28Å; F199-L203 WeakPolarHBondContact O-CB 3.46Å; F199-L203 PolarHBondContact O-N 3.36Å; C200-L203 PolarHBondContact O-N 2.96Å; L203-R305 PolarHBondContact O-NH1 3.01Å; L203-R305 PolarHBondContact O-NH2 3.42Å; L203-H307 VanDerWaalsContact CD1-CD2 3.47Å; L203-H307 WeakPolarHBondContact CD1-CD2 3.47Å; L203-H307 HydrophobicContact CG-CB 4.36Å; L203-H307 VanDerWaalsContact O-CB 3.29Å; L203-H307 WeakPolarHBondContact O-CB 3.14Å
204T97.8Very high98.4Very high3 Ų352 Ų522%0.01831%0.307CS..Hα-helixtrans-87.5-20.4-168.770.60000114E152 C200 I206 R305 H307E152-T204 HydrophobicContact CB-CG2 4.15Å; E152-T204 HydrophobicContact CG-CG2 4.32Å; E152-T204 WeakPolarHBondContact OE2-CG2 3.36Å; C200-T204 PolarHBondContact O-N 2.94Å; C200-T204 PolarHBondContact O-OG1 2.89Å; T204-I206 PolarHBondContact O-N 3.41Å; T204-I206 WeakPolarHBondContact OG1-CB 3.49Å; T204-I206 WeakPolarHBondContact OG1-CG1 3.17Å; T204-I206 PolarHBondContact OG1-N 3.44Å; T204-R305 PolarHBondContact O-NH1 3.22Å; T204-R305 VanDerWaalsContact O-NH1 3.13Å; T204-H307 CarbonylContact C-O 3.58Å; T204-H307 WeakPolarHBondContact CA-O 3.48Å; T204-H307 WeakPolarHBondContact CB-O 2.95Å
205G97.9Very high98.4Very high27 Ų2750.5 Ų50.528%0.27830%0.297SS..  trans77.20.1-172.800000113.8T201 I207 R305T201-G205 WeakPolarHBondContact O-CA 3.21Å; T201-G205 PolarHBondContact O-N 2.83Å; G205-I207 PolarHBondContact O-N 3.48Å; G205-R305 VanDerWaalsContact CA-CZ 3.46Å
206I98.5Very high98.4Very high2 Ų245.8 Ų45.81%0.0128%0.279CS..  trans-79.9116.2177.4-57.4170.8000108.6E152 I166 E167 Y187 L196 T201 T204 M210 V211E152-I206 HydrophobicContact CB-CD1 3.84Å; E152-I206 HydrophobicContact CG-CD1 4.2Å; I166-I206 HydrophobicContact CD1-CB 4.44Å; I166-I206 HydrophobicContact CD1-CD1 3.76Å; I166-I206 HydrophobicContact CD1-CG2 4.47Å; I166-I206 HydrophobicContact CG1-CD1 3.83Å; E167-I206 HydrophobicContact CB-CD1 3.86Å; Y187-I206 HydrophobicContact CD1-CD1 4.26Å; Y187-I206 HydrophobicContact CD1-CG2 4.37Å; Y187-I206 HydrophobicContact CE1-CD1 3.99Å; Y187-I206 HydrophobicContact CE1-CG1 3.97Å; Y187-I206 HydrophobicContact CE1-CG2 4.43Å; L196-I206 HydrophobicContact CD1-CB 4.42Å; L196-I206 HydrophobicContact CD1-CG2 3.87Å; T201-I206 WeakPolarHBondContact CA-O 3.43Å; T201-I206 WeakPolarHBondContact CB-O 3.35Å; T201-I206 WeakPolarHBondContact CG2-O 3.34Å; T201-I206 PolarHBondContact OG1-O 3Å; T204-I206 PolarHBondContact O-N 3.41Å; T204-I206 WeakPolarHBondContact OG1-CB 3.49Å; T204-I206 WeakPolarHBondContact OG1-CG1 3.17Å; T204-I206 PolarHBondContact OG1-N 3.44Å; I206-M210 HydrophobicContact CG1-CE 4.38Å; I206-M210 HydrophobicContact CG2-CB 3.98Å; I206-M210 HydrophobicContact CG2-CE 4.36Å; I206-M210 HydrophobicContact CG2-SD 4.48Å; I206-V211 HydrophobicContact CG2-CG1 3.78Å
207I98.5Very high98.4Very high89 Ų8945.1 Ų45.146%0.45628%0.275SS..  trans-88.1158.4174.163.5168.7000110.7T201 G205 A209 M210T201-I207 HydrophobicContact CG2-CG2 3.96Å; G205-I207 PolarHBondContact O-N 3.48Å; I207-A209 HydrophobicContact CD1-CB 4.17Å; I207-A209 HydrophobicContact CG1-CB 4.41Å; I207-A209 PolarHBondContact O-N 3.45Å; I207-A209 VanDerWaalsContact O-N 3.15Å; I207-M210 HydrophobicContact CB-SD 4.49Å; I207-M210 HydrophobicContact CG1-CG 3.71Å; I207-M210 HydrophobicContact CG1-SD 3.6Å; I207-M210 VanDerWaalsContact CG1-SD 3.6Å; I207-M210 WeakPolarHBondContact O-CB 3.29Å; I207-M210 PolarHBondContact O-N 2.83Å
208Q98.8Very high98.4Very high39 Ų3948.7 Ų48.718%0.18229%0.291CS..Hα-helixtrans-50.4-43.5-178.8-170.163.648.800113.2P194 M210 V211 D212P194-Q208 PolarHBondContact O-NE2 3.08Å; Q208-M210 PolarHBondContact O-N 3.3Å; Q208-V211 WeakPolarHBondContact O-CG2 3.32Å; Q208-V211 PolarHBondContact O-N 2.84Å; Q208-D212 PolarHBondContact NE2-OD1 2.97Å; Q208-D212 PolarHBondContact O-N 2.9Å
209A98.5Very high98.4Very high73 Ų7347.6 Ų47.660%0.60328%0.276SS*.Hα-helixtrans-62.7-15.7-179.900000114.5I207I207-A209 HydrophobicContact CD1-CB 4.17Å; I207-A209 HydrophobicContact CG1-CB 4.41Å; I207-A209 PolarHBondContact O-N 3.45Å; I207-A209 VanDerWaalsContact O-N 3.15Å
210M98.6Very high98.5Very high50 Ų5045.6 Ų45.625%0.24627%0.267CS..Hα-helixtrans-83.2-26.4176.6-66.8164.264.200112.3Y187 I206 I207 Q208 Q214Y187-M210 WeakPolarHBondContact CB-O 3.37Å; Y187-M210 HydrophobicContact CD1-CE 4.48Å; Y187-M210 HydrophobicContact CD2-CB 4.28Å; Y187-M210 HydrophobicContact CD2-CE 4.44Å; Y187-M210 HydrophobicContact CE1-CE 3.62Å; Y187-M210 HydrophobicContact CE2-CB 4.4Å; Y187-M210 HydrophobicContact CE2-CE 3.56Å; Y187-M210 HydrophobicContact CG-CB 4.44Å; Y187-M210 WeakPolarHBondContact OH-CE 2.88Å; I206-M210 HydrophobicContact CG1-CE 4.38Å; I206-M210 HydrophobicContact CG2-CB 3.98Å; I206-M210 HydrophobicContact CG2-CE 4.36Å; I206-M210 HydrophobicContact CG2-SD 4.48Å; I207-M210 HydrophobicContact CB-SD 4.49Å; I207-M210 HydrophobicContact CG1-CG 3.71Å; I207-M210 HydrophobicContact CG1-SD 3.6Å; I207-M210 VanDerWaalsContact CG1-SD 3.6Å; I207-M210 WeakPolarHBondContact O-CB 3.29Å; I207-M210 PolarHBondContact O-N 2.83Å; Q208-M210 PolarHBondContact O-N 3.3Å; M210-Q214 WeakPolarHBondContact O-CG 3.2Å; M210-Q214 PolarHBondContact O-NE2 2.79Å; M210-Q214 VanDerWaalsContact O-NE2 3.13Å
211V98.7Very high98.5Very high0 Ų046.5 Ų46.50%027%0.272CS..Hα-helixtrans-98.8-24.1177.5-62.30000112.8I166 Q189 L196 I206 Q208 G213 Q214I166-V211 HydrophobicContact CB-CG1 4.06Å; I166-V211 HydrophobicContact CG2-CG1 4.45Å; Q189-V211 WeakPolarHBondContact CB-O 3.19Å; Q189-V211 WeakPolarHBondContact CG-O 3.38Å; L196-V211 HydrophobicContact CD1-CG1 4.08Å; L196-V211 HydrophobicContact CD1-CG2 3.81Å; L196-V211 HydrophobicContact CD2-CG2 4.31Å; L196-V211 HydrophobicContact CG-CG2 3.93Å; I206-V211 HydrophobicContact CG2-CG1 3.78Å; Q208-V211 WeakPolarHBondContact O-CG2 3.32Å; Q208-V211 PolarHBondContact O-N 2.84Å; V211-G213 PolarHBondContact O-N 3.39Å; V211-Q214 WeakPolarHBondContact O-CB 3.5Å; V211-Q214 WeakPolarHBondContact O-CG 3.49Å; V211-Q214 PolarHBondContact O-N 2.79Å
212D98.6Very high98.5Very high81 Ų8149 Ų4943%0.43328%0.281SS..THydrogen-bonded Turntrans-62.5127.5175.1-73.3-10.1000111.1Q208 Q214Q208-D212 PolarHBondContact NE2-OD1 2.97Å; Q208-D212 PolarHBondContact O-N 2.9Å; D212-Q214 PolarHBondContact O-N 3.04Å
213G98.1Very high98.5Very high72 Ų7248.1 Ų48.174%0.74227%0.272SS*.THydrogen-bonded Turntrans75.86.9178.200000114.7V211V211-G213 PolarHBondContact O-N 3.39Å
214Q98.8Very high98.6Very high62 Ų6246.5 Ų46.529%0.2926%0.263SS..PPolyproline II helixtrans-78158.3172.4-61.5-60.5-24.300111.3Q189 M210 V211 D212Q189-Q214 HydrophobicContact CB-CB 4.17Å; Q189-Q214 VanDerWaalsContact CB-O 3.25Å; Q189-Q214 WeakPolarHBondContact CB-O 3.49Å; Q189-Q214 PolarHBondContact OE1-O 3.21Å; M210-Q214 WeakPolarHBondContact O-CG 3.2Å; M210-Q214 PolarHBondContact O-NE2 2.79Å; M210-Q214 VanDerWaalsContact O-NE2 3.13Å; V211-Q214 WeakPolarHBondContact O-CB 3.5Å; V211-Q214 WeakPolarHBondContact O-CG 3.49Å; V211-Q214 PolarHBondContact O-N 2.79Å; D212-Q214 PolarHBondContact O-N 3.04Å
215P98.7Very high98.6Very high21 Ų2149.5 Ų49.514%0.13628%0.279CS..PPolyproline II helixtrans-62.1153.5172.821.7-29.8000112.7M186 Q189 Q219 V220M186-P215 HydrophobicContact CE-CG 3.43Å; M186-P215 VanDerWaalsContact CE-CG 3.43Å; Q189-P215 PolarHBondContact N-O 3.04Å; P215-Q219 HydrophobicContact CB-CB 3.73Å; P215-V220 HydrophobicContact CB-CG2 4Å; P215-V220 HydrophobicContact CG-CG2 3.62Å
216S98.7Very high98.7Very high37 Ų3754.4 Ų54.426%0.25930%0.295SS..PPolyproline II helixtrans-65.3162.8169.463.80000111.7Q218 Q219 V220S216-Q218 PolarHBondContact O-N 3.13Å; S216-Q219 PolarHBondContact O-N 3.26Å; S216-Q219 VanDerWaalsContact O-N 3.11Å; S216-Q219 WeakPolarHBondContact OG-CG 3.49Å; S216-Q219 PolarHBondContact OG-OE1 3.22Å; S216-V220 WeakPolarHBondContact O-CG2 3.49Å; S216-V220 PolarHBondContact O-N 3.14Å
217L98.8Very high98.7Very high5 Ų555.4 Ų55.43%0.02630%0.298CS..Hα-helixtrans-55.7-39.9177.7179.162.5000112.4I165 F168 V188 Q219 V220 L221 Q257 L261I165-L217 HydrophobicContact CB-CD1 4.4Å; I165-L217 HydrophobicContact CD1-CD1 4.11Å; I165-L217 HydrophobicContact CD1-CD2 4.29Å; F168-L217 HydrophobicContact CD2-CD1 4.13Å; F168-L217 HydrophobicContact CE2-CD1 4.26Å; V188-L217 HydrophobicContact CG1-CB 3.97Å; L217-Q219 PolarHBondContact O-N 2.96Å; L217-V220 PolarHBondContact O-N 2.75Å; L217-L221 HydrophobicContact CD1-CD1 4.29Å; L217-L221 HydrophobicContact CD1-CG 4.07Å; L217-L221 HydrophobicContact CD2-CD1 4.47Å; L217-L221 HydrophobicContact CG-CD1 3.97Å; L217-L221 HydrophobicContact CG-CG 4.23Å; L217-L221 WeakPolarHBondContact O-CG 3.03Å; L217-L221 PolarHBondContact O-N 3.22Å; L217-Q257 HydrophobicContact CD2-CB 4.19Å; L217-Q257 HydrophobicContact CD2-CG 3.74Å; L217-L261 HydrophobicContact CB-CD1 4.32Å; L217-L261 HydrophobicContact CD2-CD1 4.13Å
218Q98.7Very high98.7Very high95 Ų9551.1 Ų51.144%0.44428%0.277SS..Hα-helixtrans-57.2-49.5177.8-177.4-176.5-21.400111.3S216 V220 L221 E222 L263S216-Q218 PolarHBondContact O-N 3.13Å; Q218-V220 VanDerWaalsContact C-N 3.3Å; Q218-V220 PolarHBondContact O-N 2.99Å; Q218-L221 PolarHBondContact O-N 2.74Å; Q218-E222 PolarHBondContact NE2-OE1 3.19Å; Q218-E222 VanDerWaalsContact NE2-OE1 3.1Å; Q218-E222 WeakPolarHBondContact O-CG 3.45Å; Q218-E222 PolarHBondContact O-N 2.71Å; Q218-L263 HydrophobicContact CB-CD1 3.9Å; Q218-L263 HydrophobicContact CB-CD2 4.21Å; Q218-L263 HydrophobicContact CG-CD1 4.32Å; Q218-L263 HydrophobicContact CG-CD2 3.83Å
219Q98.8Very high98.7Very high89 Ų8952 Ų5242%0.41629%0.29SS..Hα-helixtrans-66.5-32.4179.5-68.4167.6-5400112.2P215 S216 L217 R223P215-Q219 HydrophobicContact CB-CB 3.73Å; S216-Q219 PolarHBondContact O-N 3.26Å; S216-Q219 VanDerWaalsContact O-N 3.11Å; S216-Q219 WeakPolarHBondContact OG-CG 3.49Å; S216-Q219 PolarHBondContact OG-OE1 3.22Å; L217-Q219 PolarHBondContact O-N 2.96Å; Q219-R223 VanDerWaalsContact O-CG 3.24Å; Q219-R223 WeakPolarHBondContact O-CG 3.41Å; Q219-R223 PolarHBondContact O-N 2.88Å; Q219-R223 VanDerWaalsContact O-N 3.11Å
220V98.9Very high98.7Very high0 Ų056.8 Ų56.80%030%0.297CS..Hα-helixtrans-69.3-41.5174.8173.60000110.7F168 F184 M186 V188 P215 S216 L217 Q218 R223 V224F168-V220 HydrophobicContact CB-CG1 3.86Å; F168-V220 HydrophobicContact CD2-CG1 3.83Å; F168-V220 HydrophobicContact CG-CG1 3.93Å; F184-V220 HydrophobicContact CE1-CG1 4.25Å; F184-V220 HydrophobicContact CZ-CG1 4.22Å; M186-V220 HydrophobicContact CB-CG1 4.23Å; M186-V220 HydrophobicContact CB-CG2 4.4Å; M186-V220 HydrophobicContact CE-CG2 4.42Å; M186-V220 HydrophobicContact SD-CG1 4.37Å; M186-V220 HydrophobicContact SD-CG2 4.27Å; V188-V220 HydrophobicContact CG1-CG2 4.31Å; V188-V220 HydrophobicContact CG2-CB 4.42Å; V188-V220 HydrophobicContact CG2-CG1 4.24Å; V188-V220 HydrophobicContact CG2-CG2 4.04Å; P215-V220 HydrophobicContact CB-CG2 4Å; P215-V220 HydrophobicContact CG-CG2 3.62Å; S216-V220 WeakPolarHBondContact O-CG2 3.49Å; S216-V220 PolarHBondContact O-N 3.14Å; L217-V220 PolarHBondContact O-N 2.75Å; Q218-V220 VanDerWaalsContact C-N 3.3Å; Q218-V220 PolarHBondContact O-N 2.99Å; V220-R223 CarbonylContact O-C 3.26Å; V220-R223 WeakPolarHBondContact O-CB 3.35Å; V220-R223 PolarHBondContact O-N 3.19Å; V220-V224 WeakPolarHBondContact O-CG2 3.34Å; V220-V224 PolarHBondContact O-N 3.1Å
221L98.8Very high98.7Very high19 Ų1956.4 Ų56.410%0.09930%0.295CS..Hα-helixtrans-62.4-41.6175-70.9170.8000112F168 L217 Q218 R223 V224 D225 L254 L263 F269F168-L221 HydrophobicContact CE2-CD2 3.71Å; F168-L221 HydrophobicContact CZ-CD2 4.08Å; L217-L221 HydrophobicContact CD1-CD1 4.29Å; L217-L221 HydrophobicContact CD1-CG 4.07Å; L217-L221 HydrophobicContact CD2-CD1 4.47Å; L217-L221 HydrophobicContact CG-CD1 3.97Å; L217-L221 HydrophobicContact CG-CG 4.23Å; L217-L221 WeakPolarHBondContact O-CG 3.03Å; L217-L221 PolarHBondContact O-N 3.22Å; Q218-L221 PolarHBondContact O-N 2.74Å; L221-R223 VanDerWaalsContact C-N 3.3Å; L221-R223 PolarHBondContact O-N 3.43Å; L221-V224 WeakPolarHBondContact O-CB 3.36Å; L221-V224 PolarHBondContact O-N 3.31Å; L221-V224 VanDerWaalsContact O-N 3.13Å; L221-D225 PolarHBondContact O-N 2.71Å; L221-L254 HydrophobicContact CD1-CD1 4.45Å; L221-L254 HydrophobicContact CD2-CD1 4Å; L221-L263 HydrophobicContact CD1-CD1 4.24Å; L221-F269 HydrophobicContact CD2-CE2 3.95Å; L221-F269 HydrophobicContact CD2-CZ 4.23Å
222E98.8Very high98.7Very high92 Ų9258 Ų5843%0.4331%0.311SS..Hα-helixtrans-58.5-42.6172.8-70.4163.9-17300111.3Q218 V224 D225 E226Q218-E222 PolarHBondContact NE2-OE1 3.19Å; Q218-E222 VanDerWaalsContact NE2-OE1 3.1Å; Q218-E222 WeakPolarHBondContact O-CG 3.45Å; Q218-E222 PolarHBondContact O-N 2.71Å; E222-V224 VanDerWaalsContact C-N 3.35Å; E222-V224 PolarHBondContact O-N 3.21Å; E222-D225 WeakPolarHBondContact O-CB 3.33Å; E222-D225 PolarHBondContact O-N 3.43Å; E222-E226 WeakPolarHBondContact O-CG 3.37Å; E222-E226 PolarHBondContact O-N 3.1Å
223R98.8Very high98.7Very high120 Ų12054.5 Ų54.545%0.45329%0.293SS..Hα-helixtrans-68.9-31.2175.7-69.4169.4-174.9-81.72.3113.1F184 M186 Q219 V220 L221 W227F184-R223 HydrophobicContact CE2-CB 4.06Å; F184-R223 HydrophobicContact CZ-CB 4.2Å; M186-R223 HydrophobicContact SD-CB 4.08Å; M186-R223 WeakPolarHBondContact SD-CD 3.45Å; M186-R223 HydrophobicContact SD-CG 4.43Å; Q219-R223 VanDerWaalsContact O-CG 3.24Å; Q219-R223 WeakPolarHBondContact O-CG 3.41Å; Q219-R223 PolarHBondContact O-N 2.88Å; Q219-R223 VanDerWaalsContact O-N 3.11Å; V220-R223 CarbonylContact O-C 3.26Å; V220-R223 WeakPolarHBondContact O-CB 3.35Å; V220-R223 PolarHBondContact O-N 3.19Å; L221-R223 VanDerWaalsContact C-N 3.3Å; L221-R223 PolarHBondContact O-N 3.43Å; R223-W227 WeakPolarHBondContact O-CB 3.32Å; R223-W227 PolarHBondContact O-N 3.18Å
224V98.9Very high98.7Very high0 Ų055.2 Ų55.20%028%0.279CS..Hα-helixtrans-64.5-45170.71720000109.7F168 I170 F184 V220 L221 E222 E226 W227 M228 F269F168-V224 HydrophobicContact CD1-CG2 4.13Å; F168-V224 HydrophobicContact CE1-CG2 3.83Å; F168-V224 HydrophobicContact CZ-CG2 4.08Å; I170-V224 HydrophobicContact CD1-CG1 3.68Å; I170-V224 HydrophobicContact CD1-CG2 4Å; F184-V224 HydrophobicContact CD1-CG2 4.02Å; F184-V224 HydrophobicContact CE1-CG2 3.39Å; F184-V224 HydrophobicContact CE2-CG2 4Å; F184-V224 HydrophobicContact CZ-CB 4.38Å; F184-V224 HydrophobicContact CZ-CG2 3.37Å; V220-V224 WeakPolarHBondContact O-CG2 3.34Å; V220-V224 PolarHBondContact O-N 3.1Å; L221-V224 WeakPolarHBondContact O-CB 3.36Å; L221-V224 PolarHBondContact O-N 3.31Å; L221-V224 VanDerWaalsContact O-N 3.13Å; E222-V224 VanDerWaalsContact C-N 3.35Å; E222-V224 PolarHBondContact O-N 3.21Å; V224-E226 PolarHBondContact O-N 2.68Å; V224-W227 PolarHBondContact O-N 2.79Å; V224-M228 HydrophobicContact CG1-CG 4.06Å; V224-M228 WeakPolarHBondContact O-CB 3.47Å; V224-M228 WeakPolarHBondContact O-CG 3.42Å; V224-M228 PolarHBondContact O-N 2.81Å; V224-F269 HydrophobicContact CG1-CZ 4.06Å
225D98.7Very high98.7Very high66 Ų6655.8 Ų55.835%0.35328%0.284SS..Hα-helixtrans-58.2-46175.7-82.7-36.4000111.8L221 E222 W227 M228 A229 Y268L221-D225 PolarHBondContact O-N 2.71Å; E222-D225 WeakPolarHBondContact O-CB 3.33Å; E222-D225 PolarHBondContact O-N 3.43Å; D225-W227 PolarHBondContact O-N 2.7Å; D225-M228 PolarHBondContact O-N 3.46Å; D225-A229 WeakPolarHBondContact O-CB 3.42Å; D225-A229 PolarHBondContact O-N 3.3Å; D225-Y268 WeakPolarHBondContact OD1-CE1 3.33Å; D225-Y268 VanDerWaalsContact OD1-CZ 3.22Å; D225-Y268 PolarHBondContact OD1-OH 3Å
226E98.8Very high98.7Very high130 Ų13059.6 Ų59.661%0.60731%0.308SS*.Hα-helixtrans-60-43.6175.3-70.7173.217700112.1E222 V224 A229 K230E222-E226 WeakPolarHBondContact O-CG 3.37Å; E222-E226 PolarHBondContact O-N 3.1Å; V224-E226 PolarHBondContact O-N 2.68Å; E226-A229 PolarHBondContact O-N 2.94Å; E226-K230 WeakPolarHBondContact O-CB 3.47Å; E226-K230 PolarHBondContact O-N 3.04Å
227W98.8Very high98.6Very high23 Ų2363.5 Ų63.59%0.08733%0.327CS..Hα-helixtrans-66-44.5177.3177.786000111.7I170 K172 S182 F184 R223 V224 D225 A229 K230 E231 L233I170-W227 HydrophobicContact CB-CH2 4.35Å; I170-W227 HydrophobicContact CB-CZ3 4.36Å; I170-W227 HydrophobicContact CD1-CZ3 4.31Å; I170-W227 HydrophobicContact CG2-CH2 3.99Å; I170-W227 HydrophobicContact CG2-CZ3 4.01Å; K172-W227 HydrophobicContact CB-CH2 3.86Å; K172-W227 HydrophobicContact CB-CZ2 4.02Å; S182-W227 PolarHBondContact OG-NE1 2.99Å; F184-W227 HydrophobicContact CB-CD2 3.86Å; F184-W227 HydrophobicContact CB-CE3 4.28Å; F184-W227 HydrophobicContact CB-CG 4.14Å; F184-W227 HydrophobicContact CB-CZ2 4.2Å; F184-W227 HydrophobicContact CD2-CB 3.75Å; F184-W227 HydrophobicContact CD2-CD2 4.28Å; F184-W227 AromaticContact CD2-CG 3.78Å; F184-W227 HydrophobicContact CD2-CG 3.78Å; F184-W227 HydrophobicContact CE2-CB 4.26Å; F184-W227 HydrophobicContact CG-CD2 4.45Å; F184-W227 HydrophobicContact CG-CG 4.39Å; R223-W227 WeakPolarHBondContact O-CB 3.32Å; R223-W227 PolarHBondContact O-N 3.18Å; V224-W227 PolarHBondContact O-N 2.79Å; D225-W227 PolarHBondContact O-N 2.7Å; W227-A229 VanDerWaalsContact C-N 3.29Å; W227-A229 PolarHBondContact O-N 2.8Å; W227-K230 PolarHBondContact O-N 3.2Å; W227-E231 HydrophobicContact CD2-CG 3.95Å; W227-E231 HydrophobicContact CG-CG 4.32Å; W227-E231 HydrophobicContact CZ2-CG 3.92Å; W227-E231 WeakPolarHBondContact O-CB 3.31Å; W227-E231 VanDerWaalsContact O-CG 3.28Å; W227-E231 WeakPolarHBondContact O-CG 3.39Å; W227-E231 PolarHBondContact O-N 3.03Å; W227-L233 HydrophobicContact CH2-CD1 4.27Å; W227-L233 HydrophobicContact CZ3-CD1 3.96Å
228M98.8Very high98.6Very high0 Ų065 Ų650%034%0.336CS..Hα-helixtrans-58.1-41.9175.6-70.9-73.3-73.700111.4L147 V224 D225 G232 L233 L234 F242 Y268L147-M228 HydrophobicContact CD1-CE 3.66Å; L147-M228 HydrophobicContact CD1-SD 3.74Å; V224-M228 HydrophobicContact CG1-CG 4.06Å; V224-M228 WeakPolarHBondContact O-CB 3.47Å; V224-M228 WeakPolarHBondContact O-CG 3.42Å; V224-M228 PolarHBondContact O-N 2.81Å; D225-M228 PolarHBondContact O-N 3.46Å; M228-G232 PolarHBondContact O-N 2.86Å; M228-L233 HydrophobicContact CE-CB 3.88Å; M228-L233 HydrophobicContact CE-CD1 4.2Å; M228-L233 WeakPolarHBondContact O-CB 3.48Å; M228-L233 PolarHBondContact O-N 3.17Å; M228-L233 HydrophobicContact SD-CB 4.13Å; M228-L233 HydrophobicContact SD-CD1 3.5Å; M228-L233 WeakPolarHBondContact SD-CD1 3.37Å; M228-L233 HydrophobicContact SD-CG 4.47Å; M228-L234 HydrophobicContact CB-CD1 4.34Å; M228-L234 HydrophobicContact CB-CD2 3.93Å; M228-L234 HydrophobicContact CB-CG 4Å; M228-L234 HydrophobicContact CE-CD2 4.34Å; M228-F242 HydrophobicContact CE-CE2 4.5Å; M228-Y268 HydrophobicContact CE-CD1 4.17Å; M228-Y268 HydrophobicContact CE-CD2 4.05Å; M228-Y268 HydrophobicContact CE-CE2 4.39Å; M228-Y268 HydrophobicContact CE-CG 3.91Å
229A98.7Very high98.6Very high56 Ų5665.8 Ų65.846%0.46334%0.338SS..Hα-helixtrans-64.1-49.1175.300000111.8D225 E226 W227 E231 G232 L234D225-A229 WeakPolarHBondContact O-CB 3.42Å; D225-A229 PolarHBondContact O-N 3.3Å; E226-A229 PolarHBondContact O-N 2.94Å; W227-A229 VanDerWaalsContact C-N 3.29Å; W227-A229 PolarHBondContact O-N 2.8Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.42Å; A229-G232 PolarHBondContact O-N 2.88Å; A229-G232 VanDerWaalsContact O-N 3.08Å; A229-L234 HydrophobicContact CB-CD1 3.83Å
230K98.7Very high98.6Very high175 Ų17562.9 Ų62.976%0.76133%0.328SS*.Hα-helixtrans-59.1-37.6178.7-179.6-175.3174.1-172.40112.4E226 W227 G232E226-K230 WeakPolarHBondContact O-CB 3.47Å; E226-K230 PolarHBondContact O-N 3.04Å; W227-K230 PolarHBondContact O-N 3.2Å; K230-G232 PolarHBondContact O-N 3.41Å
231E98.7Very high98.6Very high42 Ų4263.2 Ų63.220%0.19633%0.329CS..THydrogen-bonded Turntrans-80.31.6-180-69.7-62.7152.500113.9K172 S182 W227 A229 L233K172-E231 HydrophobicContact CD-CB 4.17Å; K172-E231 HydrophobicContact CD-CG 4.27Å; K172-E231 WeakPolarHBondContact CD-OE2 3.25Å; K172-E231 PolarHBondContact NZ-O 2.84Å; K172-E231 IonicContact NZ-OE2 2.74Å; K172-E231 PolarHBondContact NZ-OE2 2.88Å; S182-E231 WeakPolarHBondContact CB-OE1 3.31Å; S182-E231 VanDerWaalsContact OG-CD 3.27Å; S182-E231 PolarHBondContact OG-OE1 2.86Å; W227-E231 HydrophobicContact CD2-CG 3.95Å; W227-E231 HydrophobicContact CG-CG 4.32Å; W227-E231 HydrophobicContact CZ2-CG 3.92Å; W227-E231 WeakPolarHBondContact O-CB 3.31Å; W227-E231 VanDerWaalsContact O-CG 3.28Å; W227-E231 WeakPolarHBondContact O-CG 3.39Å; W227-E231 PolarHBondContact O-N 3.03Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.42Å; E231-L233 HydrophobicContact CB-CD1 3.83Å; E231-L233 HydrophobicContact CB-CG 3.91Å; E231-L233 PolarHBondContact O-N 3.16Å
232G98.6Very high98.6Very high33 Ų3362.4 Ų62.434%0.3433%0.325SS..THydrogen-bonded Turntrans71.215.2-179.800000114M228 A229 K230 L234 D235 V238M228-G232 PolarHBondContact O-N 2.86Å; A229-G232 PolarHBondContact O-N 2.88Å; A229-G232 VanDerWaalsContact O-N 3.08Å; K230-G232 PolarHBondContact O-N 3.41Å; G232-L234 VanDerWaalsContact C-N 3.28Å; G232-L234 PolarHBondContact O-N 3.49Å; G232-D235 PolarHBondContact O-N 2.73Å; G232-V238 WeakPolarHBondContact O-CG2 3.41Å
233L98.7Very high98.6Very high8 Ų858 Ų584%0.04230%0.304CS..THydrogen-bonded Turntrans-79.5-12.7-174.6-63.4168.9000113Y145 L147 K172 W227 M228 E231 V238Y145-L233 HydrophobicContact CD2-CD2 3.49Å; Y145-L233 VanDerWaalsContact CD2-CD2 3.49Å; Y145-L233 HydrophobicContact CE2-CD2 4.28Å; Y145-L233 HydrophobicContact CG-CD2 3.93Å; L147-L233 HydrophobicContact CD1-CD1 4.14Å; L147-L233 HydrophobicContact CD2-CD1 3.66Å; L147-L233 HydrophobicContact CD2-CD2 4.26Å; K172-L233 HydrophobicContact CD-CD1 4.33Å; W227-L233 HydrophobicContact CH2-CD1 4.27Å; W227-L233 HydrophobicContact CZ3-CD1 3.96Å; M228-L233 HydrophobicContact CE-CB 3.88Å; M228-L233 HydrophobicContact CE-CD1 4.2Å; M228-L233 WeakPolarHBondContact O-CB 3.48Å; M228-L233 PolarHBondContact O-N 3.17Å; M228-L233 HydrophobicContact SD-CB 4.13Å; M228-L233 HydrophobicContact SD-CD1 3.5Å; M228-L233 WeakPolarHBondContact SD-CD1 3.37Å; M228-L233 HydrophobicContact SD-CG 4.47Å; E231-L233 HydrophobicContact CB-CD1 3.83Å; E231-L233 HydrophobicContact CB-CG 3.91Å; E231-L233 PolarHBondContact O-N 3.16Å; L233-V238 HydrophobicContact CD2-CG1 4.37Å
234L98.4Very high98.6Very high86 Ų8652.3 Ų52.345%0.4528%0.283SS..THydrogen-bonded Turntrans-93.7-0.7176.5-55.4-175.2000113.3M228 A229 G232 Y268M228-L234 HydrophobicContact CB-CD1 4.34Å; M228-L234 HydrophobicContact CB-CD2 3.93Å; M228-L234 HydrophobicContact CB-CG 4Å; M228-L234 HydrophobicContact CE-CD2 4.34Å; A229-L234 HydrophobicContact CB-CD1 3.83Å; G232-L234 VanDerWaalsContact C-N 3.28Å; G232-L234 PolarHBondContact O-N 3.49Å; L234-Y268 HydrophobicContact CD2-CD1 3.97Å; L234-Y268 HydrophobicContact CD2-CE1 4.16Å
235D98.3Very high98.6Very high74 Ų7453.6 Ų53.640%0.39629%0.292SS..SBendtrans-69.7126.6170.4-176.3-40.1000109.4G232 N237 V238G232-D235 PolarHBondContact O-N 2.73Å; D235-N237 PolarHBondContact O-N 2.95Å; D235-N237 VanDerWaalsContact OD1-CB 3.26Å; D235-N237 WeakPolarHBondContact OD1-CB 3.22Å; D235-N237 PolarHBondContact OD1-N 2.9Å; D235-N237 PolarHBondContact OD1-ND2 3.43Å; D235-V238 HydrophobicContact CB-CB 4.3Å; D235-V238 HydrophobicContact CB-CG2 3.92Å; D235-V238 PolarHBondContact O-N 2.76Å
236P97.5Very high98.6Very high101 Ų10151 Ų5166%0.65628%0.28SS*.THydrogen-bonded Turntrans-60.3-20-178.424.8-35.4000114.4K239P236-K239 PolarHBondContact O-NZ 2.82Å
237N98.1Very high98.6Very high120 Ų12046.7 Ų46.764%0.64226%0.261SS*.THydrogen-bonded Turntrans-81.8-17.9175.1-55.9-64.5000112.5H144 D235H144-N237 PolarHBondContact CE1-O 3.15Å; H144-N237 VanDerWaalsContact CE1-O 3.28Å; D235-N237 PolarHBondContact O-N 2.95Å; D235-N237 VanDerWaalsContact OD1-CB 3.26Å; D235-N237 WeakPolarHBondContact OD1-CB 3.22Å; D235-N237 PolarHBondContact OD1-N 2.9Å; D235-N237 PolarHBondContact OD1-ND2 3.43Å
238V98.6Very high98.5Very high37 Ų3748 Ų4822%0.22427%0.266CS..SBendtrans-89.9120.6178.2178.80000109.6H144 Y145 G232 L233 D235H144-V238 HydrophobicContact CB-CG1 4.41Å; Y145-V238 HydrophobicContact CD2-CG1 3.77Å; Y145-V238 HydrophobicContact CE2-CG1 3.87Å; G232-V238 WeakPolarHBondContact O-CG2 3.41Å; L233-V238 HydrophobicContact CD2-CG1 4.37Å; D235-V238 HydrophobicContact CB-CB 4.3Å; D235-V238 HydrophobicContact CB-CG2 3.92Å; D235-V238 PolarHBondContact O-N 2.76Å
239K98.6Very high98.5Very high110 Ų11048.4 Ų48.448%0.47827%0.268SS..  trans-98.4117.4179.1-54.8-51.2-179.4-165.60109.8Y143 H144 Y145 P236Y143-K239 CarbonylContact C-O 3.57Å; Y143-K239 HydrophobicContact CD1-CB 4.26Å; H144-K239 WeakPolarHBondContact CA-O 3.43Å; H144-K239 WeakPolarHBondContact CB-O 3.1Å; H144-K239 PolarHBondContact N-O 3.27Å; H144-K239 PolarHBondContact ND1-N 2.88Å; H144-K239 VanDerWaalsContact ND1-N 3.14Å; Y145-K239 PolarHBondContact N-O 3.07Å; P236-K239 PolarHBondContact O-NZ 2.82Å
240S98.7Very high98.5Very high29 Ų2945.8 Ų45.820%0.20325%0.247CC..EExtended strand (participates in β ladder)trans-130.3160.917462.40000110.7Y145Y145-S240 VanDerWaalsContact O-CA 3.29Å; Y145-S240 WeakPolarHBondContact O-CA 2.95Å
241I98.8Very high98.5Very high6 Ų644 Ų443%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-151.7145174.5-166.7166.1000110.4Y143 Y145 F146 L147 Q271 I273 Q332Y143-I241 HydrophobicContact CD1-CB 3.95Å; Y143-I241 HydrophobicContact CD1-CG2 3.92Å; Y143-I241 HydrophobicContact CD2-CB 4.48Å; Y143-I241 HydrophobicContact CD2-CG2 3.6Å; Y143-I241 HydrophobicContact CE1-CB 3.81Å; Y143-I241 HydrophobicContact CE1-CD1 4.15Å; Y143-I241 HydrophobicContact CE1-CG2 3.99Å; Y143-I241 HydrophobicContact CE2-CB 4.33Å; Y143-I241 HydrophobicContact CE2-CD1 4.31Å; Y143-I241 HydrophobicContact CE2-CG2 3.64Å; Y143-I241 HydrophobicContact CG-CB 4.3Å; Y143-I241 HydrophobicContact CG-CG2 3.74Å; Y143-I241 WeakPolarHBondContact OH-CD1 3.34Å; Y145-I241 PolarHBondContact O-N 3.5Å; F146-I241 HydrophobicContact CD1-CG2 3.72Å; F146-I241 HydrophobicContact CE1-CG2 3.99Å; L147-I241 PolarHBondContact N-O 2.87Å; I241-Q271 HydrophobicContact CD1-CB 4.25Å; I241-Q271 HydrophobicContact CG1-CB 4.36Å; I241-Q271 WeakPolarHBondContact CG1-O 3.09Å; I241-I273 HydrophobicContact CD1-CD1 4.45Å; I241-I273 HydrophobicContact CD1-CG1 3.87Å; I241-I273 HydrophobicContact CG1-CG1 4.27Å; I241-I273 HydrophobicContact CG2-CD1 3.76Å; I241-I273 HydrophobicContact CG2-CG1 4.03Å; I241-Q332 HydrophobicContact CD1-CB 3.76Å; I241-Q332 HydrophobicContact CD1-CG 3.96Å
242F98.9Very high98.5Very high2 Ų245.6 Ų45.61%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-71.9150.9174.1-80.9-91.8000112.6L147 L149 I170 M228 L250 Y268 F269 W272 I273L147-F242 HydrophobicContact CB-CD1 3.83Å; L147-F242 HydrophobicContact CB-CD2 4.37Å; L147-F242 HydrophobicContact CB-CE1 3.88Å; L147-F242 HydrophobicContact CB-CE2 4.38Å; L147-F242 HydrophobicContact CB-CG 4.1Å; L147-F242 HydrophobicContact CB-CZ 4.17Å; L147-F242 HydrophobicContact CD1-CD2 4.19Å; L147-F242 HydrophobicContact CD1-CE1 4.43Å; L147-F242 HydrophobicContact CD1-CE2 3.71Å; L147-F242 HydrophobicContact CD1-CZ 3.87Å; L147-F242 CarbonylContact O-C 3.58Å; L147-F242 WeakPolarHBondContact O-CA 3.18Å; L147-F242 WeakPolarHBondContact O-CD1 3.29Å; L149-F242 HydrophobicContact CB-CD1 3.81Å; L149-F242 HydrophobicContact CB-CE1 4.16Å; L149-F242 HydrophobicContact CD1-CD1 3.92Å; L149-F242 HydrophobicContact CD1-CE1 3.68Å; I170-F242 HydrophobicContact CD1-CE1 4.28Å; I170-F242 HydrophobicContact CD1-CZ 4.49Å; I170-F242 HydrophobicContact CG2-CE1 4.07Å; M228-F242 HydrophobicContact CE-CE2 4.5Å; F242-L250 HydrophobicContact CB-CD1 3.65Å; F242-L250 HydrophobicContact CD1-CD1 4.47Å; F242-L250 HydrophobicContact CG-CD1 4.09Å; F242-Y268 VanDerWaalsContact CD2-O 3.25Å; F242-Y268 WeakPolarHBondContact CD2-O 3.5Å; F242-Y268 AromaticContact CE2-CD2 3.64Å; F242-Y268 HydrophobicContact CE2-CD2 3.64Å; F242-Y268 HydrophobicContact CE2-CE2 4.35Å; F242-Y268 HydrophobicContact CE2-CG 4.49Å; F242-Y268 HydrophobicContact CZ-CD2 4.19Å; F242-Y268 HydrophobicContact CZ-CE2 4.47Å; F242-F269 HydrophobicContact CD2-CD1 4.21Å; F242-F269 HydrophobicContact CE1-CD1 4.13Å; F242-F269 AromaticContact CE1-CE1 3.79Å; F242-F269 HydrophobicContact CE1-CE1 3.79Å; F242-F269 AromaticContact CE2-CD1 3.81Å; F242-F269 HydrophobicContact CE2-CD1 3.81Å; F242-F269 AromaticContact CE2-CE1 3.99Å; F242-F269 HydrophobicContact CE2-CE1 3.99Å; F242-F269 AromaticContact CZ-CD1 3.75Å; F242-F269 HydrophobicContact CZ-CD1 3.75Å; F242-F269 AromaticContact CZ-CE1 3.45Å; F242-F269 HydrophobicContact CZ-CE1 3.45Å; F242-F269 VanDerWaalsContact CZ-CE1 3.45Å; F242-F269 HydrophobicContact CZ-CZ 4.4Å; F242-W272 HydrophobicContact CB-CB 3.98Å; F242-W272 CarbonylContact O-C 3.5Å; F242-W272 WeakPolarHBondContact O-CA 3.29Å; F242-I273 PolarHBondContact O-N 3.16Å
243V99Very high98.5Very high0 Ų044.5 Ų44.50%024%0.237CC..EExtended strand (participates in β ladder)trans-132.6127.8173.2-171.10000109.5F146 L147 V148 L149 I273 L275 I316 M320F146-V243 HydrophobicContact CB-CG2 4Å; F146-V243 HydrophobicContact CD1-CG2 3.87Å; F146-V243 HydrophobicContact CG-CG2 4.36Å; L147-V243 PolarHBondContact O-N 2.78Å; V148-V243 WeakPolarHBondContact CA-O 3.46Å; V148-V243 HydrophobicContact CG2-CB 4.28Å; L149-V243 PolarHBondContact N-O 2.85Å; V243-I273 VanDerWaalsContact CA-O 3.31Å; V243-I273 WeakPolarHBondContact CA-O 3.2Å; V243-I273 HydrophobicContact CG1-CB 4.27Å; V243-I273 HydrophobicContact CG2-CB 4.11Å; V243-I273 HydrophobicContact CG2-CD1 4.4Å; V243-I273 HydrophobicContact CG2-CG1 4.42Å; V243-L275 HydrophobicContact CG1-CB 4.25Å; V243-I316 HydrophobicContact CG1-CG2 4.09Å; V243-M320 HydrophobicContact CB-SD 4.03Å; V243-M320 HydrophobicContact CG1-CE 4.48Å; V243-M320 HydrophobicContact CG1-SD 3.7Å; V243-M320 HydrophobicContact CG2-CE 3.9Å; V243-M320 HydrophobicContact CG2-SD 3.97Å
244T98.9Very high98.5Very high0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-131.4156.4-175550000111.3L149 G246 D249 L250 I273 L275L149-T244 HydrophobicContact CB-CG2 4.49Å; L149-T244 HydrophobicContact CD2-CG2 4.02Å; T244-G246 VanDerWaalsContact C-N 3.28Å; T244-G246 PolarHBondContact O-N 2.72Å; T244-G246 VanDerWaalsContact O-N 3.07Å; T244-G246 PolarHBondContact OG1-O 2.83Å; T244-D249 HydrophobicContact CG2-CB 4.18Å; T244-L250 HydrophobicContact CG2-CD1 3.74Å; T244-L250 HydrophobicContact CG2-CG 3.97Å; T244-I273 PolarHBondContact N-O 2.89Å; T244-L275 PolarHBondContact O-N 3.16Å
245C98.5Very high98.5Very high28 Ų2841.5 Ų41.519%0.18922%0.223CC..SBendtrans-84.964.3174.4-167.80000112.6D150 L291 I316D150-C245 WeakPolarHBondContact OD1-CB 3.3Å; C245-L291 HydrophobicContact CB-CD2 4.05Å; C245-L291 HydrophobicContact CB-CG 4.33Å; C245-L291 VanDerWaalsContact SG-CD2 3.55Å; C245-I316 HydrophobicContact CB-CD1 3.9Å; C245-I316 HydrophobicContact CB-CG1 4.23Å
246G98.1Very high98.4Very high10 Ų1039.6 Ų39.610%0.10322%0.221CC..SBendtrans124.9-171.1-173.600000111T244 N274T244-G246 VanDerWaalsContact C-N 3.28Å; T244-G246 PolarHBondContact O-N 2.72Å; T244-G246 VanDerWaalsContact O-N 3.07Å; T244-G246 PolarHBondContact OG1-O 2.83Å; G246-N274 VanDerWaalsContact C-ND2 3.31Å; G246-N274 WeakPolarHBondContact CA-ND2 3.47Å; G246-N274 WeakPolarHBondContact CA-OD1 3.42Å; G246-N274 PolarHBondContact N-OD1 2.94Å
247D98.3Very high98.5Very high40 Ų4035.3 Ų35.321%0.21419%0.193CC..SBendtrans-102-5.7176.6-65.1-34.6000112K251 W272 N274 K277D247-K251 HydrophobicContact CB-CB 4.26Å; D247-K251 HydrophobicContact CB-CD 4.12Å; D247-K251 WeakPolarHBondContact O-CA 3.13Å; D247-K251 WeakPolarHBondContact O-CB 3.32Å; D247-K251 PolarHBondContact O-N 3.08Å; D247-W272 HydrophobicContact CB-CZ2 4.47Å; D247-W272 PolarHBondContact OD1-NE1 3.48Å; D247-N274 PolarHBondContact N-ND2 2.85Å; D247-N274 VanDerWaalsContact OD1-CB 3.32Å; D247-N274 WeakPolarHBondContact OD1-CB 3.38Å; D247-N274 PolarHBondContact OD1-ND2 3.35Å; D247-N274 PolarHBondContact OD2-ND2 2.89Å; D247-K277 IonicContact OD1-NZ 3.21Å; D247-K277 PolarHBondContact OD1-NZ 3.09Å; D247-K277 IonicContact OD2-NZ 2.71Å; D247-K277 PolarHBondContact OD2-NZ 2.83Å
248W98.3Very high98.5Very high50 Ų5029.6 Ų29.619%0.18916%0.162CC..Hα-helixtrans-64.8-47.9-166.5-175.281.3000113.3A153 L250 V252 M253A153-W248 HydrophobicContact CB-CH2 3.89Å; W248-L250 PolarHBondContact O-N 3.26Å; W248-V252 WeakPolarHBondContact O-CA 3.48Å; W248-V252 WeakPolarHBondContact O-CB 3.14Å; W248-V252 PolarHBondContact O-N 3.36Å; W248-M253 HydrophobicContact CD2-CB 4.15Å; W248-M253 HydrophobicContact CE3-CB 3.87Å; W248-M253 HydrophobicContact CE3-CG 4.39Å; W248-M253 HydrophobicContact CH2-CB 3.72Å; W248-M253 HydrophobicContact CH2-CG 3.47Å; W248-M253 VanDerWaalsContact CH2-CG 3.47Å; W248-M253 HydrophobicContact CH2-SD 3.34Å; W248-M253 WeakPolarHBondContact CH2-SD 3.29Å; W248-M253 HydrophobicContact CZ2-CB 3.97Å; W248-M253 HydrophobicContact CZ2-CG 4.05Å; W248-M253 HydrophobicContact CZ2-SD 3.58Å; W248-M253 VanDerWaalsContact CZ2-SD 3.58Å; W248-M253 HydrophobicContact CZ3-CB 3.65Å; W248-M253 HydrophobicContact CZ3-CG 3.66Å; W248-M253 HydrophobicContact CZ3-SD 4.18Å; W248-M253 PolarHBondContact O-N 3.23Å
249D98.7Very high98.5Very high9 Ų935.6 Ų35.65%0.04819%0.188CC..Iπ-helixtrans-54.1-54.8-176.2-61.3-44.2000113.3L149 F151 T244 M253 L254L149-D249 HydrophobicContact CD2-CB 3.83Å; F151-D249 HydrophobicContact CD2-CB 3.56Å; F151-D249 HydrophobicContact CE2-CB 3.84Å; F151-D249 HydrophobicContact CG-CB 4.49Å; F151-D249 PolarHBondContact N-OD1 3.11Å; T244-D249 HydrophobicContact CG2-CB 4.18Å; D249-M253 PolarHBondContact O-N 2.98Å; D249-L254 WeakPolarHBondContact O-CB 2.98Å; D249-L254 PolarHBondContact O-N 2.9Å
250L98.6Very high98.5Very high2 Ų236.8 Ų36.81%0.0119%0.19CC..Iπ-helixtrans-98.5-11.6-171-61.7179.6000113.9L149 F151 F242 T244 W248 L254 P255 F269 W272L149-L250 HydrophobicContact CD2-CD2 4.34Å; F151-L250 HydrophobicContact CE2-CD2 4.34Å; F242-L250 HydrophobicContact CB-CD1 3.65Å; F242-L250 HydrophobicContact CD1-CD1 4.47Å; F242-L250 HydrophobicContact CG-CD1 4.09Å; T244-L250 HydrophobicContact CG2-CD1 3.74Å; T244-L250 HydrophobicContact CG2-CG 3.97Å; W248-L250 PolarHBondContact O-N 3.26Å; L250-L254 HydrophobicContact CD2-CD2 3.8Å; L250-P255 VanDerWaalsContact O-CG 3.22Å; L250-P255 WeakPolarHBondContact O-CG 3.42Å; L250-F269 HydrophobicContact CD2-CB 4.31Å; L250-F269 HydrophobicContact CD2-CD1 3.81Å; L250-F269 HydrophobicContact CD2-CG 4.39Å; L250-W272 HydrophobicContact CB-CD2 3.85Å; L250-W272 HydrophobicContact CB-CE3 3.58Å; L250-W272 HydrophobicContact CB-CG 4.38Å; L250-W272 HydrophobicContact CB-CH2 4.45Å; L250-W272 HydrophobicContact CB-CZ3 3.87Å; L250-W272 HydrophobicContact CD1-CB 3.66Å; L250-W272 HydrophobicContact CD1-CD2 4.24Å; L250-W272 HydrophobicContact CD1-CE3 4.2Å; L250-W272 HydrophobicContact CD1-CG 4.02Å
251K98.2Very high98.4Very high137 Ų13739.1 Ų39.160%0.59620%0.2SC*.Iπ-helixtrans-95.5-30.2173.4-162.6-175.8174.1-168.10113D247 W272D247-K251 HydrophobicContact CB-CB 4.26Å; D247-K251 HydrophobicContact CB-CD 4.12Å; D247-K251 WeakPolarHBondContact O-CA 3.13Å; D247-K251 WeakPolarHBondContact O-CB 3.32Å; D247-K251 PolarHBondContact O-N 3.08Å; K251-W272 HydrophobicContact CB-CH2 3.83Å; K251-W272 HydrophobicContact CB-CZ2 3.8Å; K251-W272 HydrophobicContact CG-CH2 4.22Å; K251-W272 HydrophobicContact CG-CZ2 4.33Å
252V98Very high98.4Very high76 Ų7642 Ų4246%0.46123%0.231SC..Iπ-helixtrans-123.8-58.4-171.2-177.50000111.2W248 G256W248-V252 WeakPolarHBondContact O-CA 3.48Å; W248-V252 WeakPolarHBondContact O-CB 3.14Å; W248-V252 PolarHBondContact O-N 3.36Å; V252-G256 WeakPolarHBondContact O-CA 3.5Å; V252-G256 PolarHBondContact O-N 3.43Å
253M98.6Very high98.4Very high9 Ų943.4 Ų43.44%0.04424%0.239CC..Iπ-helixtrans-66.8-61.4-166.7-172.259.3-157.700112.4F151 A153 Q163 E164 I165 W248 D249 G256 Q257F151-M253 HydrophobicContact CD2-CB 4.47Å; F151-M253 HydrophobicContact CD2-CG 4.39Å; A153-M253 HydrophobicContact CB-CE 3.8Å; A153-M253 HydrophobicContact CB-SD 4.18Å; Q163-M253 HydrophobicContact CB-CE 3.84Å; Q163-M253 HydrophobicContact CB-SD 3.92Å; Q163-M253 WeakPolarHBondContact O-CE 3.42Å; E164-M253 VanDerWaalsContact C-CE 3.46Å; I165-M253 HydrophobicContact CB-CE 4.46Å; I165-M253 HydrophobicContact CD1-CG 4.32Å; I165-M253 HydrophobicContact CG1-CE 3.66Å; I165-M253 HydrophobicContact CG1-CG 3.84Å; I165-M253 VanDerWaalsContact N-CE 3.27Å; W248-M253 HydrophobicContact CD2-CB 4.15Å; W248-M253 HydrophobicContact CE3-CB 3.87Å; W248-M253 HydrophobicContact CE3-CG 4.39Å; W248-M253 HydrophobicContact CH2-CB 3.72Å; W248-M253 HydrophobicContact CH2-CG 3.47Å; W248-M253 VanDerWaalsContact CH2-CG 3.47Å; W248-M253 HydrophobicContact CH2-SD 3.34Å; W248-M253 WeakPolarHBondContact CH2-SD 3.29Å; W248-M253 HydrophobicContact CZ2-CB 3.97Å; W248-M253 HydrophobicContact CZ2-CG 4.05Å; W248-M253 HydrophobicContact CZ2-SD 3.58Å; W248-M253 VanDerWaalsContact CZ2-SD 3.58Å; W248-M253 HydrophobicContact CZ3-CB 3.65Å; W248-M253 HydrophobicContact CZ3-CG 3.66Å; W248-M253 HydrophobicContact CZ3-SD 4.18Å; W248-M253 PolarHBondContact O-N 3.23Å; D249-M253 PolarHBondContact O-N 2.98Å; M253-G256 PolarHBondContact O-N 2.92Å; M253-Q257 PolarHBondContact O-N 3.26Å
254L98.7Very high98.3Very high1 Ų148.9 Ų48.91%0.00527%0.274CS..Hα-helixtrans-63.5-50.4-178.1175.369.6000112.2F151 I165 L221 D249 L250 G256 Q257 C258 V265 F269F151-L254 HydrophobicContact CE2-CB 3.76Å; F151-L254 HydrophobicContact CZ-CB 4.2Å; F151-L254 HydrophobicContact CZ-CD2 4.39Å; I165-L254 HydrophobicContact CD1-CB 4.43Å; I165-L254 HydrophobicContact CD1-CD1 4.13Å; L221-L254 HydrophobicContact CD1-CD1 4.45Å; L221-L254 HydrophobicContact CD2-CD1 4Å; D249-L254 WeakPolarHBondContact O-CB 2.98Å; D249-L254 PolarHBondContact O-N 2.9Å; L250-L254 HydrophobicContact CD2-CD2 3.8Å; L254-G256 VanDerWaalsContact C-N 3.3Å; L254-G256 PolarHBondContact O-N 3.43Å; L254-Q257 PolarHBondContact O-N 3.45Å; L254-C258 VanDerWaalsContact O-CB 3.29Å; L254-C258 WeakPolarHBondContact O-CB 3.35Å; L254-C258 PolarHBondContact O-N 2.9Å; L254-C258 PolarHBondContact O-SG 3.42Å; L254-V265 HydrophobicContact CD2-CG1 4.44Å; L254-F269 HydrophobicContact CD2-CB 3.98Å; L254-F269 HydrophobicContact CD2-CD1 3.82Å; L254-F269 HydrophobicContact CD2-CD2 3.66Å; L254-F269 HydrophobicContact CD2-CE1 4.14Å; L254-F269 HydrophobicContact CD2-CE2 3.98Å; L254-F269 HydrophobicContact CD2-CG 3.57Å; L254-F269 HydrophobicContact CD2-CZ 4.2Å
255P98.2Very high98.3Very high30 Ų3050.5 Ų50.520%0.19528%0.284CS..Hα-helixtrans-61.5-38.2177.2-22.533.7000113L250 Q259 V265L250-P255 VanDerWaalsContact O-CG 3.22Å; L250-P255 WeakPolarHBondContact O-CG 3.42Å; P255-Q259 VanDerWaalsContact O-CB 3.26Å; P255-Q259 WeakPolarHBondContact O-CB 3.35Å; P255-Q259 PolarHBondContact O-N 3.07Å; P255-V265 HydrophobicContact CB-CG2 4.45Å
256G97.9Very high98.3Very high34 Ų3450.4 Ų50.435%0.35129%0.286SS..Hα-helixtrans-66.2-45.8179.700000112.6V252 M253 L254 Q259 Y260V252-G256 WeakPolarHBondContact O-CA 3.5Å; V252-G256 PolarHBondContact O-N 3.43Å; M253-G256 PolarHBondContact O-N 2.92Å; L254-G256 VanDerWaalsContact C-N 3.3Å; L254-G256 PolarHBondContact O-N 3.43Å; G256-Q259 PolarHBondContact O-N 3Å; G256-Y260 PolarHBondContact O-N 2.79Å
257Q98.6Very high98.3Very high11 Ų1155.4 Ų55.45%0.05131%0.31CS..Hα-helixtrans-70.3-38.3176.7-165.1177.6100111.8I165 L217 M253 L254 Q259 Y260 L261I165-Q257 VanDerWaalsContact CG1-OE1 3.29Å; L217-Q257 HydrophobicContact CD2-CB 4.19Å; L217-Q257 HydrophobicContact CD2-CG 3.74Å; M253-Q257 PolarHBondContact O-N 3.26Å; L254-Q257 PolarHBondContact O-N 3.45Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.28Å; Q257-Y260 PolarHBondContact O-N 3.37Å; Q257-L261 HydrophobicContact CG-CD1 4.09Å; Q257-L261 WeakPolarHBondContact O-CB 3.47Å; Q257-L261 WeakPolarHBondContact O-CG 3.28Å; Q257-L261 PolarHBondContact O-N 3.3Å
258C98.5Very high98.3Very high1 Ų155.2 Ų55.21%0.00731%0.306CS..Hα-helixtrans-60.8-43.6173.3-70.20000111.4L254 Y260 L261 G262 L263 V265L254-C258 VanDerWaalsContact O-CB 3.29Å; L254-C258 WeakPolarHBondContact O-CB 3.35Å; L254-C258 PolarHBondContact O-N 2.9Å; L254-C258 PolarHBondContact O-SG 3.42Å; C258-Y260 PolarHBondContact O-N 2.87Å; C258-L261 CarbonylContact O-C 3.53Å; C258-L261 PolarHBondContact O-N 3.49Å; C258-G262 PolarHBondContact O-N 3.42Å; C258-L263 HydrophobicContact CB-CB 4.19Å; C258-L263 PolarHBondContact O-N 3.46Å; C258-V265 HydrophobicContact CB-CG2 3.69Å
259Q98.1Very high98.3Very high163 Ų16353 Ų5376%0.76230%0.298SS*.Hα-helixtrans-60.5-44.2175.2-178.7-179.30.500111.8P255 G256 Q257 L261 G262P255-Q259 VanDerWaalsContact O-CB 3.26Å; P255-Q259 WeakPolarHBondContact O-CB 3.35Å; P255-Q259 PolarHBondContact O-N 3.07Å; G256-Q259 PolarHBondContact O-N 3Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.28Å; Q259-L261 VanDerWaalsContact C-N 3.29Å; Q259-L261 PolarHBondContact O-N 2.84Å; Q259-G262 PolarHBondContact O-N 3.4Å
260Y98.2Very high98.3Very high135 Ų13555.3 Ų55.353%0.52931%0.307SS..Hα-helixtrans-60.6-38.6177.3-179.9-94.6000112.3P162 V192 G256 Q257 C258P162-Y260 HydrophobicContact CB-CD2 4.43Å; P162-Y260 HydrophobicContact CG-CD1 4.47Å; P162-Y260 HydrophobicContact CG-CD2 4.42Å; P162-Y260 HydrophobicContact CG-CE1 4.12Å; P162-Y260 HydrophobicContact CG-CE2 4.06Å; V192-Y260 HydrophobicContact CG2-CE1 3.7Å; G256-Y260 PolarHBondContact O-N 2.79Å; Q257-Y260 PolarHBondContact O-N 3.37Å; C258-Y260 PolarHBondContact O-N 2.87Å
261L98Very high98.3Very high77 Ų7758.8 Ų58.840%0.40332%0.324SS..Hα-helixtrans-87.1-5.6-179.3-64.3174.4000114.2L217 Q257 C258 Q259 L263L217-L261 HydrophobicContact CB-CD1 4.32Å; L217-L261 HydrophobicContact CD2-CD1 4.13Å; Q257-L261 HydrophobicContact CG-CD1 4.09Å; Q257-L261 WeakPolarHBondContact O-CB 3.47Å; Q257-L261 WeakPolarHBondContact O-CG 3.28Å; Q257-L261 PolarHBondContact O-N 3.3Å; C258-L261 CarbonylContact O-C 3.53Å; C258-L261 PolarHBondContact O-N 3.49Å; Q259-L261 VanDerWaalsContact C-N 3.29Å; Q259-L261 PolarHBondContact O-N 2.84Å; L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 HydrophobicContact CB-CD1 3.87Å; L261-L263 HydrophobicContact CB-CG 3.75Å; L261-L263 HydrophobicContact CD1-CD1 3.83Å; L261-L263 PolarHBondContact O-N 2.9Å
262G98.3Very high98.3Very high67 Ų6752.7 Ų52.769%0.69130%0.297SS*.THydrogen-bonded Turntrans6925.5-173.600000114.1C258 Q259C258-G262 PolarHBondContact O-N 3.42Å; Q259-G262 PolarHBondContact O-N 3.4Å
263L98.3Very high98.3Very high32 Ų3249 Ų4917%0.16828%0.275CS..PPolyproline II helixtrans-93.2144.2-179.7-59.3176.8000111.6Q218 L221 C258 L261Q218-L263 HydrophobicContact CB-CD1 3.9Å; Q218-L263 HydrophobicContact CB-CD2 4.21Å; Q218-L263 HydrophobicContact CG-CD1 4.32Å; Q218-L263 HydrophobicContact CG-CD2 3.83Å; L221-L263 HydrophobicContact CD1-CD1 4.24Å; C258-L263 HydrophobicContact CB-CB 4.19Å; C258-L263 PolarHBondContact O-N 3.46Å; L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 HydrophobicContact CB-CD1 3.87Å; L261-L263 HydrophobicContact CB-CG 3.75Å; L261-L263 HydrophobicContact CD1-CD1 3.83Å; L261-L263 PolarHBondContact O-N 2.9Å
264P98Very high98.3Very high114 Ų11448.8 Ų48.874%0.7427%0.274SS*.PPolyproline II helixtrans-71.5147.3169.931.7-34.4000110.8
265V98.4Very high98.3Very high34 Ų3448.7 Ų48.721%0.20627%0.273CS..PPolyproline II helixtrans-96117.4168.2-1770000108.2L254 P255 C258 F269 K270L254-V265 HydrophobicContact CD2-CG1 4.44Å; P255-V265 HydrophobicContact CB-CG2 4.45Å; C258-V265 HydrophobicContact CB-CG2 3.69Å; V265-F269 HydrophobicContact CG1-CB 3.88Å; V265-F269 HydrophobicContact CG1-CD2 4.33Å; V265-K270 WeakPolarHBondContact O-CE 3.48Å; V265-K270 PolarHBondContact O-NZ 3.44Å
266A98.3Very high98.4Very high27 Ų2748.7 Ų48.722%0.22327%0.27CS..PPolyproline II helixtrans-57.9145.3177.900000112Y268 F269A266-Y268 HydrophobicContact CB-CD1 3.96Å; A266-Y268 HydrophobicContact CB-CD2 4.32Å; A266-Y268 HydrophobicContact CB-CE1 3.43Å; A266-Y268 VanDerWaalsContact CB-CE1 3.43Å; A266-Y268 HydrophobicContact CB-CE2 3.88Å; A266-Y268 HydrophobicContact CB-CG 4.38Å; A266-Y268 PolarHBondContact O-N 2.93Å; A266-F269 HydrophobicContact CB-CD2 4.05Å; A266-F269 HydrophobicContact CB-CE2 4.42Å; A266-F269 PolarHBondContact O-N 3.4Å; A266-F269 VanDerWaalsContact O-N 3.08Å
267D97.8Very high98.4Very high114 Ų11449.6 Ų49.661%0.6127%0.265SS*.G310 helixtrans-62.6-29.7-170.6-76.4-16.9000113.8F269 K270 Q271D267-F269 PolarHBondContact O-N 3.1Å; D267-K270 WeakPolarHBondContact O-CB 3.42Å; D267-K270 PolarHBondContact O-N 3.17Å; D267-K270 IonicContact OD1-NZ 2.69Å; D267-K270 PolarHBondContact OD1-NZ 3.31Å; D267-Q271 PolarHBondContact O-NE2 2.88Å; D267-Q271 VanDerWaalsContact O-NE2 3.07Å
268Y98.2Very high98.4Very high37 Ų3749.2 Ų49.215%0.14526%0.263CS..G310 helixtrans-67.7-20.6178.954.2-111.1000113.1D225 M228 L234 F242 A266 K270D225-Y268 WeakPolarHBondContact OD1-CE1 3.33Å; D225-Y268 VanDerWaalsContact OD1-CZ 3.22Å; D225-Y268 PolarHBondContact OD1-OH 3Å; M228-Y268 HydrophobicContact CE-CD1 4.17Å; M228-Y268 HydrophobicContact CE-CD2 4.05Å; M228-Y268 HydrophobicContact CE-CE2 4.39Å; M228-Y268 HydrophobicContact CE-CG 3.91Å; L234-Y268 HydrophobicContact CD2-CD1 3.97Å; L234-Y268 HydrophobicContact CD2-CE1 4.16Å; F242-Y268 VanDerWaalsContact CD2-O 3.25Å; F242-Y268 WeakPolarHBondContact CD2-O 3.5Å; F242-Y268 AromaticContact CE2-CD2 3.64Å; F242-Y268 HydrophobicContact CE2-CD2 3.64Å; F242-Y268 HydrophobicContact CE2-CE2 4.35Å; F242-Y268 HydrophobicContact CE2-CG 4.49Å; F242-Y268 HydrophobicContact CZ-CD2 4.19Å; F242-Y268 HydrophobicContact CZ-CE2 4.47Å; A266-Y268 HydrophobicContact CB-CD1 3.96Å; A266-Y268 HydrophobicContact CB-CD2 4.32Å; A266-Y268 HydrophobicContact CB-CE1 3.43Å; A266-Y268 VanDerWaalsContact CB-CE1 3.43Å; A266-Y268 HydrophobicContact CB-CE2 3.88Å; A266-Y268 HydrophobicContact CB-CG 4.38Å; A266-Y268 PolarHBondContact O-N 2.93Å; Y268-K270 VanDerWaalsContact C-N 3.28Å
269F98.5Very high98.4Very high4 Ų449.7 Ų49.72%0.01827%0.265CS..G310 helixtrans-78.9-12.1172.6-70.2-57.5000113.1L149 F168 L221 V224 F242 L250 L254 V265 A266 D267 Q271L149-F269 HydrophobicContact CD1-CE1 4.12Å; F168-F269 HydrophobicContact CE1-CZ 4.43Å; F168-F269 HydrophobicContact CZ-CE1 4.08Å; F168-F269 AromaticContact CZ-CZ 3.74Å; F168-F269 HydrophobicContact CZ-CZ 3.74Å; L221-F269 HydrophobicContact CD2-CE2 3.95Å; L221-F269 HydrophobicContact CD2-CZ 4.23Å; V224-F269 HydrophobicContact CG1-CZ 4.06Å; F242-F269 HydrophobicContact CD2-CD1 4.21Å; F242-F269 HydrophobicContact CE1-CD1 4.13Å; F242-F269 AromaticContact CE1-CE1 3.79Å; F242-F269 HydrophobicContact CE1-CE1 3.79Å; F242-F269 AromaticContact CE2-CD1 3.81Å; F242-F269 HydrophobicContact CE2-CD1 3.81Å; F242-F269 AromaticContact CE2-CE1 3.99Å; F242-F269 HydrophobicContact CE2-CE1 3.99Å; F242-F269 AromaticContact CZ-CD1 3.75Å; F242-F269 HydrophobicContact CZ-CD1 3.75Å; F242-F269 AromaticContact CZ-CE1 3.45Å; F242-F269 HydrophobicContact CZ-CE1 3.45Å; F242-F269 VanDerWaalsContact CZ-CE1 3.45Å; F242-F269 HydrophobicContact CZ-CZ 4.4Å; L250-F269 HydrophobicContact CD2-CB 4.31Å; L250-F269 HydrophobicContact CD2-CD1 3.81Å; L250-F269 HydrophobicContact CD2-CG 4.39Å; L254-F269 HydrophobicContact CD2-CB 3.98Å; L254-F269 HydrophobicContact CD2-CD1 3.82Å; L254-F269 HydrophobicContact CD2-CD2 3.66Å; L254-F269 HydrophobicContact CD2-CE1 4.14Å; L254-F269 HydrophobicContact CD2-CE2 3.98Å; L254-F269 HydrophobicContact CD2-CG 3.57Å; L254-F269 HydrophobicContact CD2-CZ 4.2Å; V265-F269 HydrophobicContact CG1-CB 3.88Å; V265-F269 HydrophobicContact CG1-CD2 4.33Å; A266-F269 HydrophobicContact CB-CD2 4.05Å; A266-F269 HydrophobicContact CB-CE2 4.42Å; A266-F269 PolarHBondContact O-N 3.4Å; A266-F269 VanDerWaalsContact O-N 3.08Å; D267-F269 PolarHBondContact O-N 3.1Å; F269-Q271 VanDerWaalsContact C-N 3.28Å; F269-Q271 PolarHBondContact O-N 3.47Å
270K98.3Very high98.4Very high56 Ų5643.1 Ų43.124%0.24324%0.237CC..G310 helixtrans-86.13.8-174.5-63175.4-168.1162.20113.2V265 D267 Y268 F337V265-K270 WeakPolarHBondContact O-CE 3.48Å; V265-K270 PolarHBondContact O-NZ 3.44Å; D267-K270 WeakPolarHBondContact O-CB 3.42Å; D267-K270 PolarHBondContact O-N 3.17Å; D267-K270 IonicContact OD1-NZ 2.69Å; D267-K270 PolarHBondContact OD1-NZ 3.31Å; Y268-K270 VanDerWaalsContact C-N 3.28Å; K270-F337 HydrophobicContact CB-CD2 3.47Å; K270-F337 VanDerWaalsContact CB-CD2 3.47Å; K270-F337 HydrophobicContact CB-CE2 3.46Å; K270-F337 VanDerWaalsContact CB-CE2 3.46Å; K270-F337 HydrophobicContact CB-CG 4.11Å; K270-F337 HydrophobicContact CB-CZ 4.08Å; K270-F337 HydrophobicContact CD-CG 4.42Å; K270-F337 HydrophobicContact CG-CD1 4.41Å; K270-F337 HydrophobicContact CG-CD2 4.04Å; K270-F337 HydrophobicContact CG-CE1 4.29Å; K270-F337 HydrophobicContact CG-CE2 3.92Å; K270-F337 HydrophobicContact CG-CG 4.27Å; K270-F337 HydrophobicContact CG-CZ 4.03Å; K270-F337 WeakPolarHBondContact O-CD2 3.27Å; K270-F337 WeakPolarHBondContact O-CE2 3.29Å
271Q98.3Very high98.4Very high76 Ų7643.9 Ų43.936%0.35524%0.244SC..  trans-136.3121.9171.7-52.58656.500110I241 D267 F269I241-Q271 HydrophobicContact CD1-CB 4.25Å; I241-Q271 HydrophobicContact CG1-CB 4.36Å; I241-Q271 WeakPolarHBondContact CG1-O 3.09Å; D267-Q271 PolarHBondContact O-NE2 2.88Å; D267-Q271 VanDerWaalsContact O-NE2 3.07Å; F269-Q271 VanDerWaalsContact C-N 3.28Å; F269-Q271 PolarHBondContact O-N 3.47Å
272W98.8Very high98.4Very high8 Ų842.2 Ų42.23%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-140.4165.4175.97095.6000113.7F242 D247 L250 K251 T333 S334 F337F242-W272 HydrophobicContact CB-CB 3.98Å; F242-W272 CarbonylContact O-C 3.5Å; F242-W272 WeakPolarHBondContact O-CA 3.29Å; D247-W272 HydrophobicContact CB-CZ2 4.47Å; D247-W272 PolarHBondContact OD1-NE1 3.48Å; L250-W272 HydrophobicContact CB-CD2 3.85Å; L250-W272 HydrophobicContact CB-CE3 3.58Å; L250-W272 HydrophobicContact CB-CG 4.38Å; L250-W272 HydrophobicContact CB-CH2 4.45Å; L250-W272 HydrophobicContact CB-CZ3 3.87Å; L250-W272 HydrophobicContact CD1-CB 3.66Å; L250-W272 HydrophobicContact CD1-CD2 4.24Å; L250-W272 HydrophobicContact CD1-CE3 4.2Å; L250-W272 HydrophobicContact CD1-CG 4.02Å; K251-W272 HydrophobicContact CB-CH2 3.83Å; K251-W272 HydrophobicContact CB-CZ2 3.8Å; K251-W272 HydrophobicContact CG-CH2 4.22Å; K251-W272 HydrophobicContact CG-CZ2 4.33Å; W272-T333 PolarHBondContact O-N 2.92Å; W272-S334 PolarHBondContact N-OG 3.04Å; W272-S334 PolarHBondContact O-N 2.87Å; W272-S334 VanDerWaalsContact O-N 3.1Å; W272-S334 PolarHBondContact O-OG 2.94Å; W272-F337 HydrophobicContact CH2-CE2 4.19Å; W272-F337 HydrophobicContact CH2-CZ 4.27Å; W272-F337 AromaticContact CZ3-CE2 3.58Å; W272-F337 HydrophobicContact CZ3-CE2 3.58Å; W272-F337 AromaticContact CZ3-CZ 3.82Å; W272-F337 HydrophobicContact CZ3-CZ 3.82Å
273I98.8Very high98.3Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-106121.6168.7-50.6-172.4000107.9Y143 F146 I241 F242 V243 T244 L275 A278 F330 K331 T333Y143-I273 HydrophobicContact CE2-CD1 4.33Å; F146-I273 HydrophobicContact CD1-CD1 4.12Å; F146-I273 HydrophobicContact CE1-CD1 3.79Å; I241-I273 HydrophobicContact CD1-CD1 4.45Å; I241-I273 HydrophobicContact CD1-CG1 3.87Å; I241-I273 HydrophobicContact CG1-CG1 4.27Å; I241-I273 HydrophobicContact CG2-CD1 3.76Å; I241-I273 HydrophobicContact CG2-CG1 4.03Å; F242-I273 PolarHBondContact O-N 3.16Å; V243-I273 VanDerWaalsContact CA-O 3.31Å; V243-I273 WeakPolarHBondContact CA-O 3.2Å; V243-I273 HydrophobicContact CG1-CB 4.27Å; V243-I273 HydrophobicContact CG2-CB 4.11Å; V243-I273 HydrophobicContact CG2-CD1 4.4Å; V243-I273 HydrophobicContact CG2-CG1 4.42Å; T244-I273 PolarHBondContact N-O 2.89Å; I273-L275 PolarHBondContact O-N 3.2Å; I273-A278 HydrophobicContact CG2-CB 4.23Å; I273-F330 HydrophobicContact CD1-CB 3.75Å; I273-K331 WeakPolarHBondContact CG1-O 3.35Å; I273-T333 HydrophobicContact CG2-CG2 4.36Å
274N98.7Very high98.3Very high3 Ų344.1 Ų44.12%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-84.2110.9169.4174.7-23.4000107.9G246 D247 K276 K277 A278 T333G246-N274 VanDerWaalsContact C-ND2 3.31Å; G246-N274 WeakPolarHBondContact CA-ND2 3.47Å; G246-N274 WeakPolarHBondContact CA-OD1 3.42Å; G246-N274 PolarHBondContact N-OD1 2.94Å; D247-N274 PolarHBondContact N-ND2 2.85Å; D247-N274 VanDerWaalsContact OD1-CB 3.32Å; D247-N274 WeakPolarHBondContact OD1-CB 3.38Å; D247-N274 PolarHBondContact OD1-ND2 3.35Å; D247-N274 PolarHBondContact OD2-ND2 2.89Å; N274-K276 PolarHBondContact O-N 3.48Å; N274-K276 VanDerWaalsContact OD1-CB 3.29Å; N274-K276 WeakPolarHBondContact OD1-CB 3.4Å; N274-K276 PolarHBondContact OD1-N 3.38Å; N274-K277 HydrophobicContact CB-CB 4.42Å; N274-K277 HydrophobicContact CB-CD 4.09Å; N274-K277 HydrophobicContact CB-CG 4.28Å; N274-K277 WeakPolarHBondContact O-CB 3.15Å; N274-K277 PolarHBondContact O-N 3.2Å; N274-K277 VanDerWaalsContact O-N 3.08Å; N274-K277 PolarHBondContact OD1-N 3.46Å; N274-A278 PolarHBondContact O-N 2.87Å; N274-A278 VanDerWaalsContact O-N 3.11Å; N274-T333 WeakPolarHBondContact CB-OG1 3.49Å; N274-T333 PolarHBondContact N-OG1 2.84Å
275L98.9Very high98.3Very high0 Ų042.4 Ų42.40%024%0.242CC..Hα-helixtrans-60.1-33-175.8-176.962.3000112.1V243 T244 I273 K277 A278 Y279 M294 I316 I319 M320 L323 F330V243-L275 HydrophobicContact CG1-CB 4.25Å; T244-L275 PolarHBondContact O-N 3.16Å; I273-L275 PolarHBondContact O-N 3.2Å; L275-K277 VanDerWaalsContact C-N 3.3Å; L275-K277 PolarHBondContact O-N 3.05Å; L275-A278 HydrophobicContact CD1-CB 4.45Å; L275-A278 PolarHBondContact O-N 2.73Å; L275-Y279 VanDerWaalsContact O-CB 3.22Å; L275-Y279 WeakPolarHBondContact O-CB 2.92Å; L275-Y279 PolarHBondContact O-N 3.38Å; L275-M294 HydrophobicContact CD2-CE 3.82Å; L275-M294 HydrophobicContact CD2-SD 4.13Å; L275-M294 HydrophobicContact CG-CE 4.06Å; L275-M294 HydrophobicContact CG-SD 3.91Å; L275-I316 HydrophobicContact CD2-CB 4.11Å; L275-I316 HydrophobicContact CD2-CG1 4.18Å; L275-I316 HydrophobicContact CD2-CG2 3.75Å; L275-I319 HydrophobicContact CD1-CG2 4.12Å; L275-I319 HydrophobicContact CD2-CB 3.99Å; L275-I319 HydrophobicContact CD2-CD1 4.19Å; L275-I319 HydrophobicContact CD2-CG2 3.76Å; L275-I319 HydrophobicContact CG-CG2 4.25Å; L275-M320 HydrophobicContact CD1-CG 3.94Å; L275-L323 HydrophobicContact CD1-CD1 4.26Å; L275-F330 HydrophobicContact CD1-CE1 4.23Å
276K98.8Very high98.2Very high30 Ų3046.4 Ų46.413%0.1325%0.253CS..Hα-helixtrans-61.6-39.4177.6-57.1174.867.5163.80111.6N274 S280 W286 P287 M294N274-K276 PolarHBondContact O-N 3.48Å; N274-K276 VanDerWaalsContact OD1-CB 3.29Å; N274-K276 WeakPolarHBondContact OD1-CB 3.4Å; N274-K276 PolarHBondContact OD1-N 3.38Å; K276-S280 WeakPolarHBondContact O-CB 3.47Å; K276-S280 PolarHBondContact O-N 2.92Å; K276-W286 HydrophobicContact CB-CH2 3.69Å; K276-W286 HydrophobicContact CB-CZ2 4.17Å; K276-W286 HydrophobicContact CB-CZ3 3.95Å; K276-W286 HydrophobicContact CD-CZ2 4.48Å; K276-P287 HydrophobicContact CB-CG 3.9Å; K276-P287 WeakPolarHBondContact CE-O 3.31Å; K276-P287 HydrophobicContact CG-CG 4.18Å; K276-M294 HydrophobicContact CG-CE 4.37Å
277K98.7Very high98.2Very high53 Ų5345.2 Ų45.223%0.2324%0.243CC..Hα-helixtrans-68.5-49174.7-68.9176-171.7152.10110.9D247 N274 L275 Y279 S280 F281 W286 T333D247-K277 IonicContact OD1-NZ 3.21Å; D247-K277 PolarHBondContact OD1-NZ 3.09Å; D247-K277 IonicContact OD2-NZ 2.71Å; D247-K277 PolarHBondContact OD2-NZ 2.83Å; N274-K277 HydrophobicContact CB-CB 4.42Å; N274-K277 HydrophobicContact CB-CD 4.09Å; N274-K277 HydrophobicContact CB-CG 4.28Å; N274-K277 WeakPolarHBondContact O-CB 3.15Å; N274-K277 PolarHBondContact O-N 3.2Å; N274-K277 VanDerWaalsContact O-N 3.08Å; N274-K277 PolarHBondContact OD1-N 3.46Å; L275-K277 VanDerWaalsContact C-N 3.3Å; L275-K277 PolarHBondContact O-N 3.05Å; K277-Y279 VanDerWaalsContact C-N 3.32Å; K277-Y279 PolarHBondContact O-N 2.85Å; K277-S280 PolarHBondContact O-N 2.72Å; K277-S280 VanDerWaalsContact O-N 3.11Å; K277-S280 PolarHBondContact O-OG 3.02Å; K277-F281 HydrophobicContact CB-CE2 4.23Å; K277-F281 WeakPolarHBondContact O-CD2 3.41Å; K277-F281 WeakPolarHBondContact O-CG 3.49Å; K277-F281 PolarHBondContact O-N 3.18Å; K277-W286 HydrophobicContact CG-CH2 4.2Å; K277-W286 HydrophobicContact CG-CZ3 3.86Å; K277-T333 HydrophobicContact CB-CG2 4.08Å; K277-T333 HydrophobicContact CD-CG2 4.38Å
278A98.6Very high98.2Very high3 Ų346.8 Ų46.83%0.02524%0.244CC..Hα-helixtrans-55.3-47.7176.800000111.8I273 N274 L275 S280 F281 A282 F328 F330I273-A278 HydrophobicContact CG2-CB 4.23Å; N274-A278 PolarHBondContact O-N 2.87Å; N274-A278 VanDerWaalsContact O-N 3.11Å; L275-A278 HydrophobicContact CD1-CB 4.45Å; L275-A278 PolarHBondContact O-N 2.73Å; A278-S280 PolarHBondContact O-N 3.37Å; A278-F281 PolarHBondContact O-N 3.43Å; A278-A282 PolarHBondContact O-N 3.3Å; A278-F328 HydrophobicContact CB-CE1 3.84Å; A278-F328 HydrophobicContact CB-CZ 4.09Å; A278-F328 VanDerWaalsContact O-CZ 3.31Å; A278-F328 WeakPolarHBondContact O-CZ 3.22Å; A278-F330 HydrophobicContact CB-CD1 4.25Å; A278-F330 HydrophobicContact CB-CE1 4.39Å
279Y98.7Very high98.1Very high11 Ų1148.2 Ų48.24%0.04325%0.254CS..Hα-helixtrans-57.4-47174.2-176.6-83.9000111.9L275 K277 F281 A282 M283 P287 M294 G297 L298 I319L275-Y279 VanDerWaalsContact O-CB 3.22Å; L275-Y279 WeakPolarHBondContact O-CB 2.92Å; L275-Y279 PolarHBondContact O-N 3.38Å; K277-Y279 VanDerWaalsContact C-N 3.32Å; K277-Y279 PolarHBondContact O-N 2.85Å; Y279-F281 VanDerWaalsContact C-N 3.28Å; Y279-F281 PolarHBondContact O-N 2.84Å; Y279-A282 PolarHBondContact O-N 3.05Å; Y279-A282 VanDerWaalsContact O-N 3.08Å; Y279-M283 HydrophobicContact CD1-CB 4.13Å; Y279-M283 HydrophobicContact CD1-CG 4.13Å; Y279-M283 HydrophobicContact CD2-CG 4.12Å; Y279-M283 HydrophobicContact CE1-CB 3.76Å; Y279-M283 HydrophobicContact CE1-CG 3.8Å; Y279-M283 HydrophobicContact CE2-CG 3.81Å; Y279-M283 HydrophobicContact CG-CG 4.28Å; Y279-M283 WeakPolarHBondContact O-CB 3.29Å; Y279-M283 PolarHBondContact O-N 3.41Å; Y279-P287 HydrophobicContact CD1-CB 4.18Å; Y279-P287 HydrophobicContact CD1-CG 3.82Å; Y279-P287 HydrophobicContact CE1-CB 4.31Å; Y279-P287 HydrophobicContact CE1-CG 4.44Å; Y279-P287 HydrophobicContact CG-CG 4.29Å; Y279-M294 VanDerWaalsContact CB-SD 3.56Å; Y279-M294 HydrophobicContact CD1-CG 4.01Å; Y279-M294 HydrophobicContact CD1-SD 4.48Å; Y279-M294 HydrophobicContact CD2-CB 3.76Å; Y279-M294 HydrophobicContact CD2-CG 3.44Å; Y279-M294 VanDerWaalsContact CD2-CG 3.44Å; Y279-M294 HydrophobicContact CD2-SD 3.71Å; Y279-M294 HydrophobicContact CE1-CG 4.23Å; Y279-M294 HydrophobicContact CE2-CB 3.61Å; Y279-M294 HydrophobicContact CE2-CG 3.67Å; Y279-M294 HydrophobicContact CG-CB 4.42Å; Y279-M294 HydrophobicContact CG-CG 3.61Å; Y279-M294 HydrophobicContact CG-SD 3.68Å; Y279-G297 WeakPolarHBondContact OH-CA 3.43Å; Y279-L298 HydrophobicContact CD2-CD1 4.32Å; Y279-L298 HydrophobicContact CE2-CD1 3.86Å; Y279-L298 HydrophobicContact CE2-CD2 4.35Å; Y279-L298 HydrophobicContact CE2-CG 3.83Å; Y279-I319 HydrophobicContact CD2-CG2 4.37Å
280S98.5Very high98.1Very high25 Ų2548.3 Ų48.318%0.17526%0.257CS..Hα-helixtrans-62.8-34.6179.973.90000113.2K276 K277 A278 G284 C285K276-S280 WeakPolarHBondContact O-CB 3.47Å; K276-S280 PolarHBondContact O-N 2.92Å; K277-S280 PolarHBondContact O-N 2.72Å; K277-S280 VanDerWaalsContact O-N 3.11Å; K277-S280 PolarHBondContact O-OG 3.02Å; A278-S280 PolarHBondContact O-N 3.37Å; S280-G284 VanDerWaalsContact O-CA 3.28Å; S280-G284 WeakPolarHBondContact O-CA 3.48Å; S280-G284 PolarHBondContact O-N 3.08Å; S280-C285 VanDerWaalsContact CA-O 3.3Å; S280-C285 WeakPolarHBondContact CA-O 3.5Å; S280-C285 WeakPolarHBondContact CB-O 3.39Å
281F97.9Very high98.1Very high151 Ų15146.3 Ų46.366%0.66225%0.249SC*.Hα-helixtrans-69.1-36.2173.2-63.8-47.3000112.4K277 A278 Y279 F328K277-F281 HydrophobicContact CB-CE2 4.23Å; K277-F281 WeakPolarHBondContact O-CD2 3.41Å; K277-F281 WeakPolarHBondContact O-CG 3.49Å; K277-F281 PolarHBondContact O-N 3.18Å; A278-F281 PolarHBondContact O-N 3.43Å; Y279-F281 VanDerWaalsContact C-N 3.28Å; Y279-F281 PolarHBondContact O-N 2.84Å; F281-F328 HydrophobicContact CB-CE2 4.18Å; F281-F328 HydrophobicContact CB-CZ 4.32Å
282A97.7Very high98.1Very high41 Ų4147.3 Ų47.334%0.33926%0.256SS..Hα-helixtrans-75.5-41.3179.800000112.9A278 Y279 L323 F328A278-A282 PolarHBondContact O-N 3.3Å; Y279-A282 PolarHBondContact O-N 3.05Å; Y279-A282 VanDerWaalsContact O-N 3.08Å; A282-L323 HydrophobicContact CB-CD2 3.78Å; A282-F328 HydrophobicContact CB-CD2 3.53Å; A282-F328 HydrophobicContact CB-CE2 3.72Å; A282-F328 HydrophobicContact CB-CG 4.19Å
283M97.2Very high98.1Very high64 Ų6449 Ų4932%0.31527%0.265SS..Hα-helixtrans-106-7.1-168.5-60.8-58.5-63.700113.5Y279 C285 L298 L323Y279-M283 HydrophobicContact CD1-CB 4.13Å; Y279-M283 HydrophobicContact CD1-CG 4.13Å; Y279-M283 HydrophobicContact CD2-CG 4.12Å; Y279-M283 HydrophobicContact CE1-CB 3.76Å; Y279-M283 HydrophobicContact CE1-CG 3.8Å; Y279-M283 HydrophobicContact CE2-CG 3.81Å; Y279-M283 HydrophobicContact CG-CG 4.28Å; Y279-M283 WeakPolarHBondContact O-CB 3.29Å; Y279-M283 PolarHBondContact O-N 3.41Å; M283-C285 PolarHBondContact O-N 3.08Å; M283-L298 HydrophobicContact CE-CD2 4.16Å; M283-L298 HydrophobicContact SD-CD2 3.9Å; M283-L323 HydrophobicContact CG-CD2 4.48Å; M283-L323 HydrophobicContact SD-CD2 4.47Å
284G97.5Very high98.1Very high75 Ų7549 Ų4977%0.77327%0.265SS*.SBendtrans67.116-177.400000114.3S280S280-G284 VanDerWaalsContact O-CA 3.28Å; S280-G284 WeakPolarHBondContact O-CA 3.48Å; S280-G284 PolarHBondContact O-N 3.08Å
285C96.9Very high98.1Very high79 Ų7949 Ų4953%0.53427%0.266SS..SBendtrans-140.5134.4-175.5-175.40000111.2S280 M283S280-C285 VanDerWaalsContact CA-O 3.3Å; S280-C285 WeakPolarHBondContact CA-O 3.5Å; S280-C285 WeakPolarHBondContact CB-O 3.39Å; M283-C285 PolarHBondContact O-N 3.08Å
286W98.2Very high98Very high118 Ų11857.1 Ų57.145%0.44730%0.301SS..  trans-81.9121.6177.4-179.8-103.1000111.3K276 K277 K288K276-W286 HydrophobicContact CB-CH2 3.69Å; K276-W286 HydrophobicContact CB-CZ2 4.17Å; K276-W286 HydrophobicContact CB-CZ3 3.95Å; K276-W286 HydrophobicContact CD-CZ2 4.48Å; K277-W286 HydrophobicContact CG-CH2 4.2Å; K277-W286 HydrophobicContact CG-CZ3 3.86Å; W286-K288 PolarHBondContact O-N 3Å; W286-K288 VanDerWaalsContact O-N 3.08Å
287P98.2Very high98Very high2 Ų257.4 Ų57.41%0.01331%0.313CS..  trans-81.192.2-179.532.1-32.1000110K276 Y279 N289 G290 D293 M294K276-P287 HydrophobicContact CB-CG 3.9Å; K276-P287 WeakPolarHBondContact CE-O 3.31Å; K276-P287 HydrophobicContact CG-CG 4.18Å; Y279-P287 HydrophobicContact CD1-CB 4.18Å; Y279-P287 HydrophobicContact CD1-CG 3.82Å; Y279-P287 HydrophobicContact CE1-CB 4.31Å; Y279-P287 HydrophobicContact CE1-CG 4.44Å; Y279-P287 HydrophobicContact CG-CG 4.29Å; P287-N289 VanDerWaalsContact C-N 3.34Å; P287-N289 PolarHBondContact O-N 3.25Å; P287-G290 PolarHBondContact O-N 3.34Å; P287-D293 HydrophobicContact CB-CB 3.79Å; P287-M294 HydrophobicContact CB-CG 3.48Å; P287-M294 VanDerWaalsContact CB-CG 3.48Å; P287-M294 HydrophobicContact CB-SD 4.41Å; P287-M294 HydrophobicContact CG-CG 3.66Å; P287-M294 HydrophobicContact CG-SD 3.94Å
288K97.5Very high98Very high147 Ų14755.2 Ų55.264%0.63930%0.303SS*.THydrogen-bonded Turntrans-59.7-46-176.1-69-178.7-179-179.90111T34 W286 G290 D293T34-K288 HydrophobicContact CG2-CB 4.2Å; T34-K288 WeakPolarHBondContact CG2-O 3.38Å; W286-K288 PolarHBondContact O-N 3Å; W286-K288 VanDerWaalsContact O-N 3.08Å; K288-G290 PolarHBondContact O-N 3.11Å; K288-D293 PolarHBondContact N-OD2 3.46Å
289N96.6Very high97.9Very high66 Ų6660.5 Ų60.535%0.35334%0.34SS..THydrogen-bonded Turntrans-85.318.3-179.9-49.2-53.4000113.7T34 P287 L291 D293T34-N289 WeakPolarHBondContact CG2-OD1 3.26Å; P287-N289 VanDerWaalsContact C-N 3.34Å; P287-N289 PolarHBondContact O-N 3.25Å; N289-L291 PolarHBondContact O-N 3.28Å; N289-D293 HydrophobicContact CB-CB 4.38Å; N289-D293 PolarHBondContact N-OD2 2.99Å; N289-D293 VanDerWaalsContact ND2-CG 3.35Å; N289-D293 PolarHBondContact ND2-OD1 2.81Å; N289-D293 PolarHBondContact ND2-OD2 3.27Å
290G97.9Very high97.9Very high7 Ų761.8 Ų61.87%0.07235%0.347CS..THydrogen-bonded Turntrans62.9-128.8174.700000113.1P287 K288 L292 D293 M294P287-G290 PolarHBondContact O-N 3.34Å; K288-G290 PolarHBondContact O-N 3.11Å; G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 3.39Å; G290-D293 PolarHBondContact O-N 2.78Å; G290-M294 WeakPolarHBondContact O-CG 3.35Å; G290-M294 PolarHBondContact O-N 3.37Å; G290-M294 VanDerWaalsContact O-N 3.11Å
291L98.3Very high97.9Very high13 Ų1369 Ų697%0.06838%0.378CS..Hα-helixtrans-57.1-39.1-174-60.4176.7000113C245 N289 M294 N295 D312 N315 I316 I319C245-L291 HydrophobicContact CB-CD2 4.05Å; C245-L291 HydrophobicContact CB-CG 4.33Å; C245-L291 VanDerWaalsContact SG-CD2 3.55Å; N289-L291 PolarHBondContact O-N 3.28Å; L291-M294 HydrophobicContact CD2-CE 3.74Å; L291-M294 PolarHBondContact O-N 3.13Å; L291-N295 WeakPolarHBondContact O-CB 3.28Å; L291-N295 PolarHBondContact O-N 3.33Å; L291-D312 HydrophobicContact CD1-CB 3.58Å; L291-D312 VanDerWaalsContact CD1-CG 3.45Å; L291-D312 VanDerWaalsContact CD1-OD1 3.25Å; L291-D312 WeakPolarHBondContact CD1-OD1 3.45Å; L291-N315 HydrophobicContact CD1-CB 4.22Å; L291-I316 HydrophobicContact CD2-CG1 3.53Å; L291-I319 HydrophobicContact CD2-CD1 3.93Å
292L97.8Very high97.9Very high97 Ų9764.3 Ų64.351%0.50836%0.358SS..Hα-helixtrans-63.3-44.7-178.8-62.1178.6000112.1G290 K296G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 3.39Å; L292-K296 WeakPolarHBondContact O-CB 3.32Å; L292-K296 PolarHBondContact O-N 3.3Å
293D98.3Very high98Very high43 Ų4365.3 Ų65.323%0.2336%0.357CS..Hα-helixtrans-66.4-42176.1-82.4-5.9000111.2P287 K288 N289 G290 K296 G297P287-D293 HydrophobicContact CB-CB 3.79Å; K288-D293 PolarHBondContact N-OD2 3.46Å; N289-D293 HydrophobicContact CB-CB 4.38Å; N289-D293 PolarHBondContact N-OD2 2.99Å; N289-D293 VanDerWaalsContact ND2-CG 3.35Å; N289-D293 PolarHBondContact ND2-OD1 2.81Å; N289-D293 PolarHBondContact ND2-OD2 3.27Å; G290-D293 PolarHBondContact O-N 2.78Å; D293-K296 PolarHBondContact O-N 3.11Å; D293-G297 PolarHBondContact O-N 3.37Å
294M98.7Very high98Very high0 Ų064.8 Ų64.80%037%0.368CS..Hα-helixtrans-64.4-45.4-179.6-68.1-169.1-72.700111.7L275 K276 Y279 P287 G290 L291 G297 L298 I319L275-M294 HydrophobicContact CD2-CE 3.82Å; L275-M294 HydrophobicContact CD2-SD 4.13Å; L275-M294 HydrophobicContact CG-CE 4.06Å; L275-M294 HydrophobicContact CG-SD 3.91Å; K276-M294 HydrophobicContact CG-CE 4.37Å; Y279-M294 VanDerWaalsContact CB-SD 3.56Å; Y279-M294 HydrophobicContact CD1-CG 4.01Å; Y279-M294 HydrophobicContact CD1-SD 4.48Å; Y279-M294 HydrophobicContact CD2-CB 3.76Å; Y279-M294 HydrophobicContact CD2-CG 3.44Å; Y279-M294 VanDerWaalsContact CD2-CG 3.44Å; Y279-M294 HydrophobicContact CD2-SD 3.71Å; Y279-M294 HydrophobicContact CE1-CG 4.23Å; Y279-M294 HydrophobicContact CE2-CB 3.61Å; Y279-M294 HydrophobicContact CE2-CG 3.67Å; Y279-M294 HydrophobicContact CG-CB 4.42Å; Y279-M294 HydrophobicContact CG-CG 3.61Å; Y279-M294 HydrophobicContact CG-SD 3.68Å; P287-M294 HydrophobicContact CB-CG 3.48Å; P287-M294 VanDerWaalsContact CB-CG 3.48Å; P287-M294 HydrophobicContact CB-SD 4.41Å; P287-M294 HydrophobicContact CG-CG 3.66Å; P287-M294 HydrophobicContact CG-SD 3.94Å; G290-M294 WeakPolarHBondContact O-CG 3.35Å; G290-M294 PolarHBondContact O-N 3.37Å; G290-M294 VanDerWaalsContact O-N 3.11Å; L291-M294 HydrophobicContact CD2-CE 3.74Å; L291-M294 PolarHBondContact O-N 3.13Å; M294-G297 PolarHBondContact O-N 2.82Å; M294-L298 WeakPolarHBondContact O-CB 3.5Å; M294-L298 WeakPolarHBondContact O-CG 3.42Å; M294-L298 PolarHBondContact O-N 2.96Å; M294-I319 HydrophobicContact CB-CD1 3.6Å; M294-I319 HydrophobicContact CB-CG1 4.23Å; M294-I319 HydrophobicContact CB-CG2 4.43Å; M294-I319 HydrophobicContact CE-CD1 4.02Å; M294-I319 HydrophobicContact SD-CD1 4.47Å; M294-I319 HydrophobicContact SD-CG2 4.42Å
295N98.6Very high98Very high5 Ų565.7 Ų65.73%0.02735%0.348CS..Hα-helixtrans-58.8-49.1173.8-80.7-13.4000111.1L291 G297 L298 S299 L300 H302 N315 I319L291-N295 WeakPolarHBondContact O-CB 3.28Å; L291-N295 PolarHBondContact O-N 3.33Å; N295-G297 PolarHBondContact O-N 2.87Å; N295-L298 CarbonylContact O-C 3.49Å; N295-L298 PolarHBondContact O-N 2.9Å; N295-L298 VanDerWaalsContact O-N 3.15Å; N295-S299 PolarHBondContact O-N 3.45Å; N295-L300 HydrophobicContact CB-CB 4.22Å; N295-L300 PolarHBondContact O-N 2.94Å; N295-H302 PolarHBondContact ND2-ND1 2.9Å; N295-N315 PolarHBondContact ND2-OD1 3.39Å; N295-I319 WeakPolarHBondContact OD1-CG1 3.38Å
296K98.1Very high98Very high170 Ų17064.5 Ų64.574%0.73934%0.34SS*.Hα-helixtrans-57.9-47.4178.2-175.8177.4179.8178.20112.1L292 D293 L298 S299L292-K296 WeakPolarHBondContact O-CB 3.32Å; L292-K296 PolarHBondContact O-N 3.3Å; D293-K296 PolarHBondContact O-N 3.11Å; K296-L298 PolarHBondContact O-N 3.46Å; K296-S299 PolarHBondContact O-N 2.89Å
297G98.1Very high97.9Very high36 Ų3662.1 Ų62.137%0.37133%0.333SS..Hα-helixtrans-71.5-14.9-179.700000114.6Y279 D293 M294 N295Y279-G297 WeakPolarHBondContact OH-CA 3.43Å; D293-G297 PolarHBondContact O-N 3.37Å; M294-G297 PolarHBondContact O-N 2.82Å; N295-G297 PolarHBondContact O-N 2.87Å
298L98.2Very high97.9Very high7 Ų762.9 Ų62.94%0.03734%0.339CS..Hα-helixtrans-104.11.7173.5-65.1174.4000113.5Y279 M283 M294 N295 K296 L300 I319 T322 L323 R326Y279-L298 HydrophobicContact CD2-CD1 4.32Å; Y279-L298 HydrophobicContact CE2-CD1 3.86Å; Y279-L298 HydrophobicContact CE2-CD2 4.35Å; Y279-L298 HydrophobicContact CE2-CG 3.83Å; M283-L298 HydrophobicContact CE-CD2 4.16Å; M283-L298 HydrophobicContact SD-CD2 3.9Å; M294-L298 WeakPolarHBondContact O-CB 3.5Å; M294-L298 WeakPolarHBondContact O-CG 3.42Å; M294-L298 PolarHBondContact O-N 2.96Å; N295-L298 CarbonylContact O-C 3.49Å; N295-L298 PolarHBondContact O-N 2.9Å; N295-L298 VanDerWaalsContact O-N 3.15Å; K296-L298 PolarHBondContact O-N 3.46Å; L298-L300 VanDerWaalsContact C-N 3.28Å; L298-L300 HydrophobicContact CB-CD1 3.87Å; L298-L300 HydrophobicContact CB-CG 3.81Å; L298-L300 HydrophobicContact CD1-CD1 4.13Å; L298-L300 PolarHBondContact O-N 3.28Å; L298-I319 HydrophobicContact CD1-CB 4.33Å; L298-I319 HydrophobicContact CD1-CG1 4.34Å; L298-I319 HydrophobicContact CD1-CG2 3.76Å; L298-T322 HydrophobicContact CB-CG2 4.24Å; L298-T322 HydrophobicContact CD1-CG2 4.23Å; L298-T322 HydrophobicContact CD2-CG2 4.13Å; L298-T322 HydrophobicContact CG-CG2 4.43Å; L298-L323 HydrophobicContact CD1-CD2 4.32Å; L298-L323 HydrophobicContact CD1-CG 4.41Å; L298-L323 HydrophobicContact CD2-CD2 4.18Å; L298-R326 VanDerWaalsContact CD2-CZ 3.4Å; L298-R326 VanDerWaalsContact CD2-NH1 3.32Å
299S98.2Very high97.9Very high113 Ų11355.9 Ų55.979%0.7931%0.308SS*.THydrogen-bonded Turntrans57.439-175-51.70000113.3N295 K296N295-S299 PolarHBondContact O-N 3.45Å; K296-S299 PolarHBondContact O-N 2.89Å
300L98.3Very high98Very high38 Ų3853.7 Ų53.720%0.19930%0.296CS..PPolyproline II helixtrans-98.6140.6176.4-56.9174.8000110.3N295 L298 I319N295-L300 HydrophobicContact CB-CB 4.22Å; N295-L300 PolarHBondContact O-N 2.94Å; L298-L300 VanDerWaalsContact C-N 3.28Å; L298-L300 HydrophobicContact CB-CD1 3.87Å; L298-L300 HydrophobicContact CB-CG 3.81Å; L298-L300 HydrophobicContact CD1-CD1 4.13Å; L298-L300 PolarHBondContact O-N 3.28Å; L300-I319 HydrophobicContact CD1-CG1 4.09Å
301Q98Very high98Very high176 Ų17654.6 Ų54.682%0.82230%0.299SS*.PPolyproline II helixtrans-76.8139.7166-68.4-175.1-6.700109.3I303Q301-I303 PolarHBondContact O-N 2.88Å
302H98.2Very high98.1Very high53 Ų5354.4 Ų54.425%0.24530%0.299CS..PPolyproline II helixtrans-66.9133.4175.8-170.289.6000109.8N295 D312 N315N295-H302 PolarHBondContact ND2-ND1 2.9Å; H302-D312 IonicContact CE1-OD1 3.02Å; H302-D312 IonicContact NE2-OD1 2.6Å; H302-N315 WeakPolarHBondContact CA-OD1 3.38Å; H302-N315 PolarHBondContact CE1-ND2 3.26Å; H302-N315 PolarHBondContact ND1-OD1 3.39Å; H302-N315 PolarHBondContact NE2-ND2 3.25Å
303I98.4Very high98.1Very high62 Ų6249.8 Ų49.832%0.31827%0.274SS..PPolyproline II helixtrans-90.9122.2-178.8-60.1170.9000108.2Q301 K314 N315 N318Q301-I303 PolarHBondContact O-N 2.88Å; I303-K314 HydrophobicContact CB-CB 4.47Å; I303-K314 HydrophobicContact CD1-CB 4.42Å; I303-K314 HydrophobicContact CG2-CB 4.06Å; I303-K314 HydrophobicContact CG2-CD 4.08Å; I303-N315 PolarHBondContact N-ND2 3.26Å; I303-N315 PolarHBondContact N-OD1 3.15Å; I303-N315 PolarHBondContact O-ND2 3.24Å; I303-N318 HydrophobicContact CD1-CB 3.82Å
304G97.8Very high98.1Very high53 Ų5351.1 Ų51.155%0.54628%0.278SS..SBendtrans71.5-146.4172.600000114.2D311G304-D311 VanDerWaalsContact CA-OD2 3.26Å; G304-D311 WeakPolarHBondContact CA-OD2 3.4Å
305R97.4Very high98.1Very high94 Ų9451.1 Ų51.136%0.35528%0.278SS..  trans-100.4125.2-174.6-171.3-170.3-178-75.12.3110.7E202 L203 T204 G205 S308 D311E202-R305 PolarHBondContact O-NH2 3.33Å; L203-R305 PolarHBondContact O-NH1 3.01Å; L203-R305 PolarHBondContact O-NH2 3.42Å; T204-R305 PolarHBondContact O-NH1 3.22Å; T204-R305 VanDerWaalsContact O-NH1 3.13Å; G205-R305 VanDerWaalsContact CA-CZ 3.46Å; R305-S308 WeakPolarHBondContact O-CB 3.44Å; R305-S308 PolarHBondContact O-N 2.95Å; R305-D311 PolarHBondContact N-OD2 2.94Å
306P96.7Very high98.2Very high54 Ų5450.9 Ų50.935%0.35128%0.277SS..THydrogen-bonded Turntrans-55.4143.6169.9-23.232.1000111.5S308P306-S308 PolarHBondContact O-N 2.93Å
307H96.1Very high98.2Very high69 Ų6943 Ų4332%0.31924%0.244SC..THydrogen-bonded Turntrans62.419.4-177.9-53.1-62.6000114.3E152 L203 T204 D312E152-H307 WeakPolarHBondContact OE1-CA 3.3Å; E152-H307 VanDerWaalsContact OE1-O 3.05Å; L203-H307 VanDerWaalsContact CD1-CD2 3.47Å; L203-H307 WeakPolarHBondContact CD1-CD2 3.47Å; L203-H307 HydrophobicContact CG-CB 4.36Å; L203-H307 VanDerWaalsContact O-CB 3.29Å; L203-H307 WeakPolarHBondContact O-CB 3.14Å; T204-H307 CarbonylContact C-O 3.58Å; T204-H307 WeakPolarHBondContact CA-O 3.48Å; T204-H307 WeakPolarHBondContact CB-O 2.95Å; H307-D312 WeakPolarHBondContact CA-OD2 3.41Å; H307-D312 PolarHBondContact N-OD2 3.42Å
308S98.3Very high98.2Very high17 Ų1743.4 Ų43.412%0.11924%0.237CC..  trans-97.1118.9155.5171.50000106.6R305 P306 I310 D311 D312R305-S308 WeakPolarHBondContact O-CB 3.44Å; R305-S308 PolarHBondContact O-N 2.95Å; P306-S308 PolarHBondContact O-N 2.93Å; S308-I310 PolarHBondContact O-N 3.05Å; S308-I310 VanDerWaalsContact O-N 3.16Å; S308-D311 PolarHBondContact O-N 3.43Å; S308-D312 PolarHBondContact O-N 3.24Å
309G98.3Very high98.3Very high0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-58-39.1-169.700000112.3E152 E167 P169 D312 C313E152-G309 PolarHBondContact OE1-N 2.95Å; E167-G309 PolarHBondContact OE1-N 3.44Å; E167-G309 PolarHBondContact OE2-N 2.98Å; P169-G309 VanDerWaalsContact CG-C 3.46Å; G309-D312 PolarHBondContact O-N 2.93Å; G309-C313 WeakPolarHBondContact O-CB 3.19Å; G309-C313 PolarHBondContact O-N 2.79Å; G309-C313 PolarHBondContact O-SG 2.74Å
310I98.6Very high98.3Very high20 Ų2037.7 Ų37.710%0.10320%0.198CC..Hα-helixtrans-67.8-34.3177.3-16958.3000113.4E167 P169 L171 T183 H185 S308 C313 K314E167-I310 PolarHBondContact OE1-N 2.91Å; E167-I310 VanDerWaalsContact OE1-N 3.16Å; P169-I310 HydrophobicContact CB-CB 4.15Å; P169-I310 HydrophobicContact CB-CD1 3.86Å; L171-I310 HydrophobicContact CD2-CD1 3.83Å; T183-I310 HydrophobicContact CG2-CD1 3.96Å; H185-I310 HydrophobicContact CB-CD1 4.43Å; S308-I310 PolarHBondContact O-N 3.05Å; S308-I310 VanDerWaalsContact O-N 3.16Å; I310-C313 WeakPolarHBondContact O-CB 3.39Å; I310-K314 WeakPolarHBondContact O-CG 3.3Å; I310-K314 PolarHBondContact O-N 3.28Å
311D98.7Very high98.3Very high26 Ų2639 Ų3914%0.13920%0.202CC..Hα-helixtrans-77.7-36.4177-76.7-15.1000111.2G304 R305 S308 C313 K314 N315G304-D311 VanDerWaalsContact CA-OD2 3.26Å; G304-D311 WeakPolarHBondContact CA-OD2 3.4Å; R305-D311 PolarHBondContact N-OD2 2.94Å; S308-D311 PolarHBondContact O-N 3.43Å; D311-C313 VanDerWaalsContact C-N 3.32Å; D311-C313 PolarHBondContact O-N 3.45Å; D311-K314 WeakPolarHBondContact O-CB 3.31Å; D311-K314 PolarHBondContact O-N 3.02Å; D311-K314 VanDerWaalsContact O-N 3.1Å; D311-K314 IonicContact OD1-NZ 2.73Å; D311-K314 PolarHBondContact OD1-NZ 3.42Å; D311-N315 PolarHBondContact O-N 3.08Å; D311-N315 PolarHBondContact O-ND2 2.82Å
312D98.7Very high98.3Very high10 Ų1031.7 Ų31.75%0.05317%0.169CC..Hα-helixtrans-63.2-39.6171.4-80.7-16.4000110.9D150 L291 H302 H307 S308 G309 K314 N315 I316D150-D312 HydrophobicContact CB-CB 4.38Å; L291-D312 HydrophobicContact CD1-CB 3.58Å; L291-D312 VanDerWaalsContact CD1-CG 3.45Å; L291-D312 VanDerWaalsContact CD1-OD1 3.25Å; L291-D312 WeakPolarHBondContact CD1-OD1 3.45Å; H302-D312 IonicContact CE1-OD1 3.02Å; H302-D312 IonicContact NE2-OD1 2.6Å; H307-D312 WeakPolarHBondContact CA-OD2 3.41Å; H307-D312 PolarHBondContact N-OD2 3.42Å; S308-D312 PolarHBondContact O-N 3.24Å; G309-D312 PolarHBondContact O-N 2.93Å; D312-K314 PolarHBondContact O-N 2.6Å; D312-N315 WeakPolarHBondContact O-CB 3.22Å; D312-N315 PolarHBondContact O-N 2.96Å; D312-N315 VanDerWaalsContact O-N 3.16Å; D312-I316 WeakPolarHBondContact O-CG1 3.25Å; D312-I316 PolarHBondContact O-N 2.81Å
313C98.9Very high98.3Very high0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-56.8-44.1168.5-75.30000112.9V148 D150 L171 G309 I310 D311 N315 I316 A317V148-C313 HydrophobicContact CG1-CB 3.8Å; V148-C313 WeakPolarHBondContact CG1-O 3.5Å; D150-C313 PolarHBondContact N-SG 3.21Å; D150-C313 VanDerWaalsContact N-SG 3.41Å; L171-C313 HydrophobicContact CD1-CB 3.69Å; L171-C313 HydrophobicContact CG-CB 3.9Å; G309-C313 WeakPolarHBondContact O-CB 3.19Å; G309-C313 PolarHBondContact O-N 2.79Å; G309-C313 PolarHBondContact O-SG 2.74Å; I310-C313 WeakPolarHBondContact O-CB 3.39Å; D311-C313 VanDerWaalsContact C-N 3.32Å; D311-C313 PolarHBondContact O-N 3.45Å; C313-N315 VanDerWaalsContact C-N 3.31Å; C313-N315 PolarHBondContact O-N 2.96Å; C313-I316 PolarHBondContact O-N 2.88Å; C313-A317 WeakPolarHBondContact O-CB 3.44Å; C313-A317 PolarHBondContact O-N 3.17Å
314K98.8Very high98.3Very high71 Ų7126.3 Ų26.331%0.30914%0.143SC..Hα-helixtrans-63.9-37.7176.8-68.1166.8-163.4157.30111.7L171 I303 I310 D311 D312 A317 N318L171-K314 HydrophobicContact CD1-CG 4.17Å; I303-K314 HydrophobicContact CB-CB 4.47Å; I303-K314 HydrophobicContact CD1-CB 4.42Å; I303-K314 HydrophobicContact CG2-CB 4.06Å; I303-K314 HydrophobicContact CG2-CD 4.08Å; I310-K314 WeakPolarHBondContact O-CG 3.3Å; I310-K314 PolarHBondContact O-N 3.28Å; D311-K314 WeakPolarHBondContact O-CB 3.31Å; D311-K314 PolarHBondContact O-N 3.02Å; D311-K314 VanDerWaalsContact O-N 3.1Å; D311-K314 IonicContact OD1-NZ 2.73Å; D311-K314 PolarHBondContact OD1-NZ 3.42Å; D312-K314 PolarHBondContact O-N 2.6Å; K314-A317 PolarHBondContact O-N 3.3Å; K314-N318 WeakPolarHBondContact O-CB 3.4Å; K314-N318 PolarHBondContact O-N 3.36Å
315N98.8Very high98.3Very high0 Ų030.8 Ų30.80%014%0.144CC..Hα-helixtrans-65.7-44.4174.8-77.6-84.1000111.7L291 N295 H302 I303 D311 D312 C313 A317 N318 I319L291-N315 HydrophobicContact CD1-CB 4.22Å; N295-N315 PolarHBondContact ND2-OD1 3.39Å; H302-N315 WeakPolarHBondContact CA-OD1 3.38Å; H302-N315 PolarHBondContact CE1-ND2 3.26Å; H302-N315 PolarHBondContact ND1-OD1 3.39Å; H302-N315 PolarHBondContact NE2-ND2 3.25Å; I303-N315 PolarHBondContact N-ND2 3.26Å; I303-N315 PolarHBondContact N-OD1 3.15Å; I303-N315 PolarHBondContact O-ND2 3.24Å; D311-N315 PolarHBondContact O-N 3.08Å; D311-N315 PolarHBondContact O-ND2 2.82Å; D312-N315 WeakPolarHBondContact O-CB 3.22Å; D312-N315 PolarHBondContact O-N 2.96Å; D312-N315 VanDerWaalsContact O-N 3.16Å; C313-N315 VanDerWaalsContact C-N 3.31Å; C313-N315 PolarHBondContact O-N 2.96Å; N315-A317 VanDerWaalsContact C-N 3.31Å; N315-A317 PolarHBondContact O-N 2.89Å; N315-N318 PolarHBondContact O-N 3.02Å; N315-I319 WeakPolarHBondContact O-CD1 3.44Å; N315-I319 VanDerWaalsContact O-CG1 3.3Å; N315-I319 WeakPolarHBondContact O-CG1 3.48Å; N315-I319 PolarHBondContact O-N 3.4Å
316I98.9Very high98.3Very high0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-55.2-49172.9-67.1166.9000109.8V148 D150 V243 C245 L275 L291 D312 C313 N318 I319 M320V148-I316 HydrophobicContact CB-CG2 4.26Å; V148-I316 HydrophobicContact CG1-CB 3.61Å; V148-I316 HydrophobicContact CG1-CD1 3.96Å; V148-I316 HydrophobicContact CG1-CG1 4.39Å; V148-I316 HydrophobicContact CG1-CG2 3.47Å; V148-I316 VanDerWaalsContact CG1-CG2 3.47Å; V148-I316 HydrophobicContact CG2-CG2 3.8Å; D150-I316 HydrophobicContact CB-CD1 4.12Å; V243-I316 HydrophobicContact CG1-CG2 4.09Å; C245-I316 HydrophobicContact CB-CD1 3.9Å; C245-I316 HydrophobicContact CB-CG1 4.23Å; L275-I316 HydrophobicContact CD2-CB 4.11Å; L275-I316 HydrophobicContact CD2-CG1 4.18Å; L275-I316 HydrophobicContact CD2-CG2 3.75Å; L291-I316 HydrophobicContact CD2-CG1 3.53Å; D312-I316 WeakPolarHBondContact O-CG1 3.25Å; D312-I316 PolarHBondContact O-N 2.81Å; C313-I316 PolarHBondContact O-N 2.88Å; I316-N318 PolarHBondContact O-N 2.96Å; I316-I319 PolarHBondContact O-N 2.9Å; I316-M320 HydrophobicContact CG2-CG 4.45Å; I316-M320 HydrophobicContact CG2-SD 4.16Å; I316-M320 WeakPolarHBondContact O-CB 3.46Å; I316-M320 VanDerWaalsContact O-CG 3.29Å; I316-M320 WeakPolarHBondContact O-CG 3.43Å; I316-M320 PolarHBondContact O-N 3.14Å
317A98.9Very high98.3Very high5 Ų529.9 Ų29.94%0.04114%0.14CC..Hα-helixtrans-60-42.8178.500000112.7L171 L173 C313 K314 N315 M320 K321L171-A317 HydrophobicContact CD1-CB 4.35Å; L173-A317 HydrophobicContact CD1-CB 3.75Å; L173-A317 HydrophobicContact CD2-CB 3.84Å; L173-A317 HydrophobicContact CG-CB 4.42Å; C313-A317 WeakPolarHBondContact O-CB 3.44Å; C313-A317 PolarHBondContact O-N 3.17Å; K314-A317 PolarHBondContact O-N 3.3Å; N315-A317 VanDerWaalsContact C-N 3.31Å; N315-A317 PolarHBondContact O-N 2.89Å; A317-M320 WeakPolarHBondContact O-CB 3.5Å; A317-M320 PolarHBondContact O-N 3.34Å; A317-K321 WeakPolarHBondContact O-CB 3.34Å; A317-K321 PolarHBondContact O-N 3.13Å
318N98.8Very high98.4Very high44 Ų4428.5 Ų28.524%0.23513%0.133CC..Hα-helixtrans-67.1-39.5179-166.827.8000112.7I303 K314 N315 I316 M320 K321 T322I303-N318 HydrophobicContact CD1-CB 3.82Å; K314-N318 WeakPolarHBondContact O-CB 3.4Å; K314-N318 PolarHBondContact O-N 3.36Å; N315-N318 PolarHBondContact O-N 3.02Å; I316-N318 PolarHBondContact O-N 2.96Å; N318-M320 VanDerWaalsContact C-N 3.35Å; N318-K321 PolarHBondContact O-N 3.13Å; N318-T322 PolarHBondContact O-N 2.86Å; N318-T322 PolarHBondContact O-OG1 3.07Å
319I98.9Very high98.5Very high0 Ų030.1 Ų30.10%014%0.139CC..Hα-helixtrans-62.3-45.9172.2-68.9159.9000109.6L275 Y279 L291 M294 N295 L298 L300 N315 I316 K321 T322 L323L275-I319 HydrophobicContact CD1-CG2 4.12Å; L275-I319 HydrophobicContact CD2-CB 3.99Å; L275-I319 HydrophobicContact CD2-CD1 4.19Å; L275-I319 HydrophobicContact CD2-CG2 3.76Å; L275-I319 HydrophobicContact CG-CG2 4.25Å; Y279-I319 HydrophobicContact CD2-CG2 4.37Å; L291-I319 HydrophobicContact CD2-CD1 3.93Å; M294-I319 HydrophobicContact CB-CD1 3.6Å; M294-I319 HydrophobicContact CB-CG1 4.23Å; M294-I319 HydrophobicContact CB-CG2 4.43Å; M294-I319 HydrophobicContact CE-CD1 4.02Å; M294-I319 HydrophobicContact SD-CD1 4.47Å; M294-I319 HydrophobicContact SD-CG2 4.42Å; N295-I319 WeakPolarHBondContact OD1-CG1 3.38Å; L298-I319 HydrophobicContact CD1-CB 4.33Å; L298-I319 HydrophobicContact CD1-CG1 4.34Å; L298-I319 HydrophobicContact CD1-CG2 3.76Å; L300-I319 HydrophobicContact CD1-CG1 4.09Å; N315-I319 WeakPolarHBondContact O-CD1 3.44Å; N315-I319 VanDerWaalsContact O-CG1 3.3Å; N315-I319 WeakPolarHBondContact O-CG1 3.48Å; N315-I319 PolarHBondContact O-N 3.4Å; I316-I319 PolarHBondContact O-N 2.9Å; I319-K321 PolarHBondContact O-N 3.42Å; I319-T322 PolarHBondContact O-N 3.38Å; I319-L323 HydrophobicContact CG2-CD1 4.09Å; I319-L323 HydrophobicContact CG2-CG 4.37Å; I319-L323 WeakPolarHBondContact O-CG 3.44Å; I319-L323 PolarHBondContact O-N 3.27Å
320M98.8Very high98.5Very high0 Ų030.1 Ų30.10%014%0.139CC..Hα-helixtrans-59.4-46.4178.2-74.4-177.768.400112.1F146 V148 L173 M178 V243 L275 I316 A317 N318 T322 L323 A324 F330F146-M320 HydrophobicContact CB-CE 3.72Å; F146-M320 HydrophobicContact CD1-CE 3.8Å; F146-M320 HydrophobicContact CD2-CE 3.96Å; F146-M320 HydrophobicContact CE1-CE 4.41Å; F146-M320 HydrophobicContact CG-CE 3.54Å; V148-M320 HydrophobicContact CG2-SD 3.8Å; L173-M320 HydrophobicContact CD1-CE 4.38Å; L173-M320 HydrophobicContact CD1-SD 4.01Å; M178-M320 HydrophobicContact SD-CB 4.38Å; M178-M320 HydrophobicContact SD-CE 3.95Å; V243-M320 HydrophobicContact CB-SD 4.03Å; V243-M320 HydrophobicContact CG1-CE 4.48Å; V243-M320 HydrophobicContact CG1-SD 3.7Å; V243-M320 HydrophobicContact CG2-CE 3.9Å; V243-M320 HydrophobicContact CG2-SD 3.97Å; L275-M320 HydrophobicContact CD1-CG 3.94Å; I316-M320 HydrophobicContact CG2-CG 4.45Å; I316-M320 HydrophobicContact CG2-SD 4.16Å; I316-M320 WeakPolarHBondContact O-CB 3.46Å; I316-M320 VanDerWaalsContact O-CG 3.29Å; I316-M320 WeakPolarHBondContact O-CG 3.43Å; I316-M320 PolarHBondContact O-N 3.14Å; A317-M320 WeakPolarHBondContact O-CB 3.5Å; A317-M320 PolarHBondContact O-N 3.34Å; N318-M320 VanDerWaalsContact C-N 3.35Å; M320-T322 VanDerWaalsContact C-N 3.3Å; M320-T322 PolarHBondContact O-N 3.31Å; M320-L323 PolarHBondContact O-N 3.22Å; M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 3.17Å; M320-F330 HydrophobicContact CB-CE1 4.45Å; M320-F330 HydrophobicContact CB-CE2 4.37Å; M320-F330 HydrophobicContact CB-CZ 3.85Å; M320-F330 HydrophobicContact CE-CD1 4.37Å; M320-F330 HydrophobicContact CE-CD2 4.28Å; M320-F330 HydrophobicContact CE-CE1 4.32Å; M320-F330 HydrophobicContact CE-CE2 4.23Å; M320-F330 HydrophobicContact CE-CG 4.36Å; M320-F330 HydrophobicContact CE-CZ 4.25Å; M320-F330 HydrophobicContact CG-CE1 4.01Å; M320-F330 HydrophobicContact CG-CZ 3.92Å; M320-F330 WeakPolarHBondContact O-CZ 3.44Å
321K98.7Very high98.4Very high64 Ų6434.1 Ų34.128%0.27816%0.156SC..Hα-helixtrans-56.1-44.6175.6-171.1173.5-170.4169.50111.8F138 M178 E179 A317 N318 I319 A324 Y325F138-K321 HydrophobicContact CE1-CG 4.07Å; F138-K321 HydrophobicContact CZ-CG 4.15Å; M178-K321 HydrophobicContact CB-CB 3.83Å; M178-K321 HydrophobicContact CB-CG 4.16Å; E179-K321 WeakPolarHBondContact OE1-CE 3.4Å; E179-K321 IonicContact OE1-NZ 3.7Å; E179-K321 PolarHBondContact OE1-NZ 3.33Å; E179-K321 IonicContact OE2-NZ 3.58Å; E179-K321 PolarHBondContact OE2-NZ 3.37Å; A317-K321 WeakPolarHBondContact O-CB 3.34Å; A317-K321 PolarHBondContact O-N 3.13Å; N318-K321 PolarHBondContact O-N 3.13Å; I319-K321 PolarHBondContact O-N 3.42Å; K321-A324 PolarHBondContact O-N 2.99Å; K321-Y325 WeakPolarHBondContact O-CB 3.46Å; K321-Y325 PolarHBondContact O-N 3.49Å
322T98.5Very high98.4Very high23 Ų2336.5 Ų36.514%0.14117%0.167CC..Hα-helixtrans-67.7-41.4179.6-57.20000112.4L298 N318 I319 M320 Y325 R326L298-T322 HydrophobicContact CB-CG2 4.24Å; L298-T322 HydrophobicContact CD1-CG2 4.23Å; L298-T322 HydrophobicContact CD2-CG2 4.13Å; L298-T322 HydrophobicContact CG-CG2 4.43Å; N318-T322 PolarHBondContact O-N 2.86Å; N318-T322 PolarHBondContact O-OG1 3.07Å; I319-T322 PolarHBondContact O-N 3.38Å; M320-T322 VanDerWaalsContact C-N 3.3Å; M320-T322 PolarHBondContact O-N 3.31Å; T322-Y325 PolarHBondContact O-N 3.22Å; T322-R326 WeakPolarHBondContact O-CG 3.4Å; T322-R326 PolarHBondContact O-N 2.95Å; T322-R326 VanDerWaalsContact O-N 3.13Å
323L98.4Very high98.4Very high2 Ų237.4 Ų37.41%0.0117%0.173CC..Hα-helixtrans-65.8-40.8174.9-67.6179000111.6L275 A282 M283 L298 I319 M320 R326 G327 F328 F330L275-L323 HydrophobicContact CD1-CD1 4.26Å; A282-L323 HydrophobicContact CB-CD2 3.78Å; M283-L323 HydrophobicContact CG-CD2 4.48Å; M283-L323 HydrophobicContact SD-CD2 4.47Å; L298-L323 HydrophobicContact CD1-CD2 4.32Å; L298-L323 HydrophobicContact CD1-CG 4.41Å; L298-L323 HydrophobicContact CD2-CD2 4.18Å; I319-L323 HydrophobicContact CG2-CD1 4.09Å; I319-L323 HydrophobicContact CG2-CG 4.37Å; I319-L323 WeakPolarHBondContact O-CG 3.44Å; I319-L323 PolarHBondContact O-N 3.27Å; M320-L323 PolarHBondContact O-N 3.22Å; L323-R326 CarbonylContact O-C 3.48Å; L323-R326 WeakPolarHBondContact O-CA 3.26Å; L323-R326 PolarHBondContact O-N 3.32Å; L323-R326 VanDerWaalsContact O-N 3.13Å; L323-G327 PolarHBondContact O-N 3.15Å; L323-F328 HydrophobicContact CB-CB 3.99Å; L323-F328 HydrophobicContact CB-CG 4.47Å; L323-F328 WeakPolarHBondContact O-CB 3.34Å; L323-F328 PolarHBondContact O-N 2.89Å; L323-F330 HydrophobicContact CB-CZ 3.89Å; L323-F330 HydrophobicContact CD1-CE1 4.19Å; L323-F330 HydrophobicContact CD1-CZ 4.3Å
324A98.3Very high98.4Very high0 Ų038 Ų380%018%0.176CC..Hα-helixtrans-63.2-41.3175.200000112.1F138 P139 M178 M320 K321 R326 G327 F330F138-A324 HydrophobicContact CD1-CB 3.74Å; F138-A324 HydrophobicContact CE1-CB 3.98Å; F138-A324 PolarHBondContact N-O 2.82Å; P139-A324 WeakPolarHBondContact CD-O 3.35Å; M178-A324 HydrophobicContact CE-CB 3.95Å; M178-A324 HydrophobicContact CG-CB 3.87Å; M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 3.17Å; K321-A324 PolarHBondContact O-N 2.99Å; A324-R326 PolarHBondContact O-N 2.8Å; A324-G327 PolarHBondContact O-N 2.95Å; A324-F330 HydrophobicContact CB-CE2 4.24Å
325Y97.8Very high98Very high148 Ų14843.1 Ų43.158%0.5820%0.199SC*.Hα-helixtrans-58.6-35.4172.9179.6-102.2000112S137 F138 K321 T322 G327S137-Y325 VanDerWaalsContact CA-O 3.29Å; S137-Y325 WeakPolarHBondContact CA-O 3.43Å; S137-Y325 VanDerWaalsContact CB-O 3.27Å; S137-Y325 WeakPolarHBondContact CB-O 3.34Å; F138-Y325 HydrophobicContact CD2-CD2 4.32Å; F138-Y325 AromaticContact CE2-CD2 3.66Å; F138-Y325 HydrophobicContact CE2-CD2 3.66Å; F138-Y325 HydrophobicContact CE2-CG 4.4Å; F138-Y325 HydrophobicContact CZ-CD2 4.23Å; K321-Y325 WeakPolarHBondContact O-CB 3.46Å; K321-Y325 PolarHBondContact O-N 3.49Å; T322-Y325 PolarHBondContact O-N 3.22Å; Y325-G327 PolarHBondContact O-N 3.42Å
326R96.9Very high97.1Very high110 Ų11048.6 Ų48.642%0.41523%0.234SC..THydrogen-bonded Turntrans-807.4173.8-64.3177.7-173.4-162.12.5114.2L298 T322 L323 A324L298-R326 VanDerWaalsContact CD2-CZ 3.4Å; L298-R326 VanDerWaalsContact CD2-NH1 3.32Å; T322-R326 WeakPolarHBondContact O-CG 3.4Å; T322-R326 PolarHBondContact O-N 2.95Å; T322-R326 VanDerWaalsContact O-N 3.13Å; L323-R326 CarbonylContact O-C 3.48Å; L323-R326 WeakPolarHBondContact O-CA 3.26Å; L323-R326 PolarHBondContact O-N 3.32Å; L323-R326 VanDerWaalsContact O-N 3.13Å; A324-R326 PolarHBondContact O-N 2.8Å
327G97.3Very high95.5Very high18 Ų1856.8 Ų56.819%0.18627%0.27CS..THydrogen-bonded Turntrans8810.8176.100000115.3L323 A324 Y325L323-G327 PolarHBondContact O-N 3.15Å; A324-G327 PolarHBondContact O-N 2.95Å; Y325-G327 PolarHBondContact O-N 3.42Å
328F98.2Very high95.3Very high40 Ų4059.4 Ų59.418%0.17528%0.282CS..  trans-72.1137.6-179.4-167.5-101.5000112.2Q141 A278 F281 A282 L323 F330Q141-F328 PolarHBondContact NE2-O 3.23Å; A278-F328 HydrophobicContact CB-CE1 3.84Å; A278-F328 HydrophobicContact CB-CZ 4.09Å; A278-F328 VanDerWaalsContact O-CZ 3.31Å; A278-F328 WeakPolarHBondContact O-CZ 3.22Å; F281-F328 HydrophobicContact CB-CE2 4.18Å; F281-F328 HydrophobicContact CB-CZ 4.32Å; A282-F328 HydrophobicContact CB-CD2 3.53Å; A282-F328 HydrophobicContact CB-CE2 3.72Å; A282-F328 HydrophobicContact CB-CG 4.19Å; L323-F328 HydrophobicContact CB-CB 3.99Å; L323-F328 HydrophobicContact CB-CG 4.47Å; L323-F328 WeakPolarHBondContact O-CB 3.34Å; L323-F328 PolarHBondContact O-N 2.89Å; F328-F330 AromaticContact CD1-CD1 3.82Å; F328-F330 HydrophobicContact CD1-CD1 3.82Å; F328-F330 HydrophobicContact CD1-CD2 4.34Å; F328-F330 AromaticContact CD1-CE1 3.77Å; F328-F330 HydrophobicContact CD1-CE1 3.77Å; F328-F330 HydrophobicContact CD1-CE2 4.29Å; F328-F330 HydrophobicContact CD1-CG 4.1Å; F328-F330 HydrophobicContact CD1-CZ 4Å; F328-F330 AromaticContact CE1-CD1 3.75Å; F328-F330 HydrophobicContact CE1-CD1 3.75Å; F328-F330 AromaticContact CE1-CE1 3.99Å; F328-F330 HydrophobicContact CE1-CE1 3.99Å; F328-F330 HydrophobicContact CE1-CG 4.24Å
329I98.5Very high95.2Very high51 Ų5160.2 Ų60.226%0.26228%0.284SS..  trans-106.7113.9175-58.7-74.8000108.9P139 P140 R142P139-I329 HydrophobicContact CB-CD1 3.76Å; P139-I329 HydrophobicContact CG-CD1 3.41Å; P139-I329 VanDerWaalsContact CG-CD1 3.41Å; P139-I329 HydrophobicContact CG-CG1 4.18Å; P140-I329 WeakPolarHBondContact O-CD1 3.35Å; R142-I329 HydrophobicContact CG-CG2 4.4Å
330F98.6Very high94.9Very high0 Ų063.6 Ų63.60%030%0.3CS..  trans-72.7140.5-179.9-65.3-82.3000111.6F146 M178 I273 L275 A278 M320 L323 A324 F328F146-F330 HydrophobicContact CE1-CB 3.59Å; F146-F330 HydrophobicContact CE1-CD2 4.5Å; F146-F330 HydrophobicContact CE1-CG 4.25Å; F146-F330 HydrophobicContact CZ-CB 3.75Å; F146-F330 HydrophobicContact CZ-CD2 4.11Å; F146-F330 HydrophobicContact CZ-CG 4.27Å; M178-F330 HydrophobicContact CE-CD2 3.8Å; M178-F330 HydrophobicContact CE-CE2 3.72Å; M178-F330 HydrophobicContact SD-CE2 4.41Å; I273-F330 HydrophobicContact CD1-CB 3.75Å; L275-F330 HydrophobicContact CD1-CE1 4.23Å; A278-F330 HydrophobicContact CB-CD1 4.25Å; A278-F330 HydrophobicContact CB-CE1 4.39Å; M320-F330 HydrophobicContact CB-CE1 4.45Å; M320-F330 HydrophobicContact CB-CE2 4.37Å; M320-F330 HydrophobicContact CB-CZ 3.85Å; M320-F330 HydrophobicContact CE-CD1 4.37Å; M320-F330 HydrophobicContact CE-CD2 4.28Å; M320-F330 HydrophobicContact CE-CE1 4.32Å; M320-F330 HydrophobicContact CE-CE2 4.23Å; M320-F330 HydrophobicContact CE-CG 4.36Å; M320-F330 HydrophobicContact CE-CZ 4.25Å; M320-F330 HydrophobicContact CG-CE1 4.01Å; M320-F330 HydrophobicContact CG-CZ 3.92Å; M320-F330 WeakPolarHBondContact O-CZ 3.44Å; L323-F330 HydrophobicContact CB-CZ 3.89Å; L323-F330 HydrophobicContact CD1-CE1 4.19Å; L323-F330 HydrophobicContact CD1-CZ 4.3Å; A324-F330 HydrophobicContact CB-CE2 4.24Å; F328-F330 AromaticContact CD1-CD1 3.82Å; F328-F330 HydrophobicContact CD1-CD1 3.82Å; F328-F330 HydrophobicContact CD1-CD2 4.34Å; F328-F330 AromaticContact CD1-CE1 3.77Å; F328-F330 HydrophobicContact CD1-CE1 3.77Å; F328-F330 HydrophobicContact CD1-CE2 4.29Å; F328-F330 HydrophobicContact CD1-CG 4.1Å; F328-F330 HydrophobicContact CD1-CZ 4Å; F328-F330 AromaticContact CE1-CD1 3.75Å; F328-F330 HydrophobicContact CE1-CD1 3.75Å; F328-F330 AromaticContact CE1-CE1 3.99Å; F328-F330 HydrophobicContact CE1-CE1 3.99Å; F328-F330 HydrophobicContact CE1-CG 4.24Å
331K98.1Very high94.7Very high105 Ų10567.3 Ų67.346%0.45732%0.318SS..  trans-140.9148.8-177.2-58177.6-171.8172.30109.2I273 T333I273-K331 WeakPolarHBondContact CG1-O 3.35Å; K331-T333 PolarHBondContact O-N 3.06Å
332Q98.4Very high94.5Very high76 Ų7667.5 Ų67.536%0.35532%0.32SS..  trans-53.3135.4173.6-175.3176.1-1600110.6I241 S334I241-Q332 HydrophobicContact CD1-CB 3.76Å; I241-Q332 HydrophobicContact CD1-CG 3.96Å; Q332-S334 WeakPolarHBondContact CG-OG 3.36Å; Q332-S334 PolarHBondContact NE2-OG 3.45Å
333T98.3Very high94.2Very high29 Ų2970.5 Ų70.518%0.17833%0.332CS..  trans-121.8-1317664.60000113.2W272 I273 N274 K277 K331W272-T333 PolarHBondContact O-N 2.92Å; I273-T333 HydrophobicContact CG2-CG2 4.36Å; N274-T333 WeakPolarHBondContact CB-OG1 3.49Å; N274-T333 PolarHBondContact N-OG1 2.84Å; K277-T333 HydrophobicContact CB-CG2 4.08Å; K277-T333 HydrophobicContact CD-CG2 4.38Å; K331-T333 PolarHBondContact O-N 3.06Å
334S97.6Very high93.9Very high11 Ų1175.4 Ų75.48%0.07736%0.355CS..SBendtrans-59.4143.616644.60000109.7W272 Q332W272-S334 PolarHBondContact N-OG 3.04Å; W272-S334 PolarHBondContact O-N 2.87Å; W272-S334 VanDerWaalsContact O-N 3.1Å; W272-S334 PolarHBondContact O-OG 2.94Å; Q332-S334 WeakPolarHBondContact CG-OG 3.36Å; Q332-S334 PolarHBondContact NE2-OG 3.45Å
335K92.2Very high93.6Very high180 Ų18081.2 Ų81.278%0.78338%0.382SS*.PPolyproline II helixtrans-73.7146.8166.8-66.7-178179.5-178.70107.7F337K335-F337 PolarHBondContact O-N 3.05Å
336P79Confident93.2Very high115 Ų11575.6 Ų75.675%0.74737%0.366SS*.PPolyproline II helixtrans-51.6138.3165.9-2334000109.8
337F65.5Low92.9Very high172 Ų17272.5 Ų72.575%0.75436%0.361SS*.  trans-64.60177.6-88.4-103.8000112.2K270 W272 K335K270-F337 HydrophobicContact CB-CD2 3.47Å; K270-F337 VanDerWaalsContact CB-CD2 3.47Å; K270-F337 HydrophobicContact CB-CE2 3.46Å; K270-F337 VanDerWaalsContact CB-CE2 3.46Å; K270-F337 HydrophobicContact CB-CG 4.11Å; K270-F337 HydrophobicContact CB-CZ 4.08Å; K270-F337 HydrophobicContact CD-CG 4.42Å; K270-F337 HydrophobicContact CG-CD1 4.41Å; K270-F337 HydrophobicContact CG-CD2 4.04Å; K270-F337 HydrophobicContact CG-CE1 4.29Å; K270-F337 HydrophobicContact CG-CE2 3.92Å; K270-F337 HydrophobicContact CG-CG 4.27Å; K270-F337 HydrophobicContact CG-CZ 4.03Å; K270-F337 WeakPolarHBondContact O-CD2 3.27Å; K270-F337 WeakPolarHBondContact O-CE2 3.29Å; W272-F337 HydrophobicContact CH2-CE2 4.19Å; W272-F337 HydrophobicContact CH2-CZ 4.27Å; W272-F337 AromaticContact CZ3-CE2 3.58Å; W272-F337 HydrophobicContact CZ3-CE2 3.58Å; W272-F337 AromaticContact CZ3-CZ 3.82Å; W272-F337 HydrophobicContact CZ3-CZ 3.82Å; K335-F337 PolarHBondContact O-N 3.05Å

Retrieved 337 of 337 residues in 129.9 ms (Link to these results)