A0A087XK53_POEFO Loading...

LIM/homeobox protein Lhx9

May be involved in gonadal development.

AlphaFold DB , UniProt , Accession A0A087XK53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 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
1S43Very low33.2Very low171 Ų171157.5 Ų157.5100%1.19683%0.829SS**  083.50-49.40000107.1
2E29.8Very low33.2Very low178 Ų178152.3 Ų152.383%0.83282%0.816SS**  trans173.4149.8-169.5-98.3169.3144.100102.4
3L31.3Very low33.2Very low140 Ų140153.7 Ų153.773%0.73382%0.823SS**  cis-164.1173.5-20.5-120.8174.7000104.3
4I33.3Very low33.5Very low142 Ų142152.9 Ų152.973%0.72882%0.818SS**  trans69.6135.5165.1-60.3150.6000114.8
5N28.8Very low33.7Very low140 Ų140157.7 Ų157.775%0.74982%0.82SS**  cis-146.2157.1-9.7-111.73.3000110
6N38.8Very low33.9Very low157 Ų157153.1 Ų153.184%0.8481%0.805SS**  trans-128.882.8-179.1178.176.8000110.6
7E36.5Very low34Very low167 Ų167154.2 Ų154.278%0.7880%0.804SS**  trans-147.9105.8171.9-71.1-163.9120.200111.6
8N28.5Very low34.2Very low137 Ų137153.5 Ų153.573%0.73379%0.789SS**  173104.4120.6-98.5-32.8000111.4
9C29.7Very low34.4Very low139 Ų139151.6 Ų151.694%0.93978%0.777SS**  trans-128.795.5148.9-84.10000107.7
10R31.4Very low34.5Very low218 Ų218148.5 Ų148.582%0.82377%0.774SS**  trans-110.2139.2152.9-65.1179170.6170.6-3.3104.1
11D34.6Very low34.8Very low144 Ų144142.4 Ų142.477%0.7775%0.746SS**  cis-145.317323.7-101.6-109.1000106.4
12S32.7Very low34.5Very low95 Ų95139.5 Ų139.566%0.66472%0.721SS**  cis-171120-25.8-92.50000106.1
13D32.8Very low35Very low170 Ų170131.7 Ų131.791%0.90969%0.685SS**  trans-157.9142.8150.5-139.7-27.9000109.3
14D38.2Very low35.7Very low142 Ų142129.9 Ų129.976%0.75968%0.675SS**  trans-92.6162.4-151.5-124.1-50.2000114.8
15R36.2Very low35.9Very low225 Ų225128.9 Ų128.985%0.84967%0.666SS**  trans77.654.2175.2-47.7178.270.3-131.65.5118.6
16C36.9Very low36.7Very low85 Ų85126.8 Ų126.857%0.57465%0.651SS**  trans-145.489.4144-95.50000111.9W18C16-W18 HydrophobicContact CB-CD2 4.45Å; C16-W18 HydrophobicContact CB-CZ2 4.23Å; C16-W18 PolarHBondContact O-N 3.41Å
17H35.2Very low36.4Very low172 Ų172121.5 Ų121.580%0.79663%0.634SS**  trans-67.489.7170-91.1-130.4000110.8
18W39.1Very low36.4Very low141 Ų141118.5 Ų118.553%0.53462%0.623SS.*  trans-9392.3171.6-58.4124000110.6C16 Y128C16-W18 HydrophobicContact CB-CD2 4.45Å; C16-W18 HydrophobicContact CB-CZ2 4.23Å; C16-W18 PolarHBondContact O-N 3.41Å; W18-Y128 AromaticContact CZ3-CZ 3.97Å; W18-Y128 WeakPolarHBondContact CZ3-OH 3.42Å
19Q37.8Very low37Very low118 Ų118118 Ų11855%0.55163%0.627SS**  trans-95.4107.8168.2-82.2178-35.600110.7A21Q19-A21 PolarHBondContact O-N 3.2Å
20A35.3Very low37.2Very low88 Ų88114.9 Ų114.973%0.72762%0.618SS**  trans-76.8106.8159.800000108.1
21A40.6Very low37.3Very low21 Ų21107.5 Ų107.517%0.17461%0.61CS.*EExtended strand (participates in β ladder)trans-84.8118.6179.900000110.7Q19 V91Q19-A21 PolarHBondContact O-N 3.2Å; A21-V91 HydrophobicContact CB-CG2 4.34Å
22T37.5Very low37.1Very low110 Ų110108.4 Ų108.468%0.67562%0.615SS**EExtended strand (participates in β ladder)trans-75.9122.8170.9-59.70000109.7L24T22-L24 HydrophobicContact CG2-CD2 4.2Å; T22-L24 HydrophobicContact CG2-CG 4.47Å; T22-L24 PolarHBondContact O-N 3.47Å; T22-L24 VanDerWaalsContact O-N 3.12Å
23M40.7Very low37.3Very low15 Ų15110.5 Ų110.57%0.07462%0.623CS.*  trans-73.599.2175.6-57.5-59.2-60.500110.2L88 L89 A90 L100 L113M23-L88 HydrophobicContact CE-CB 3.59Å; M23-L88 HydrophobicContact CE-CD1 4.3Å; M23-L88 HydrophobicContact CE-CD2 4.04Å; M23-L88 HydrophobicContact CE-CG 4.18Å; M23-L89 WeakPolarHBondContact CE-O 3.48Å; M23-L89 VanDerWaalsContact SD-O 3.34Å; M23-A90 HydrophobicContact CE-CB 3.88Å; M23-A90 HydrophobicContact SD-CB 3.62Å; M23-L100 HydrophobicContact CE-CD2 3.58Å; M23-L100 HydrophobicContact SD-CD2 4.31Å; M23-L113 WeakPolarHBondContact CG-O 3.48Å
24L45.9Very low37.2Very low101 Ų101111.8 Ų111.853%0.52962%0.623SS.*  trans-88.8125.6173.4-67.6177.8000110.8T22 H26T22-L24 HydrophobicContact CG2-CD2 4.2Å; T22-L24 HydrophobicContact CG2-CG 4.47Å; T22-L24 PolarHBondContact O-N 3.47Å; T22-L24 VanDerWaalsContact O-N 3.12Å; L24-H26 PolarHBondContact O-N 2.64Å
25F36.9Very low36.5Very low121 Ų121108.2 Ų108.253%0.53162%0.62SS.*EExtended strand (participates in β ladder)trans-79.6114.7172-76.6-94.6000109.8L88F25-L88 HydrophobicContact CE1-CD2 4.27Å; F25-L88 HydrophobicContact CZ-CD2 4.31Å
26H45Very low36.2Very low96 Ų96104.2 Ų104.244%0.44462%0.621SS.*EExtended strand (participates in β ladder)trans-105.9119.7165.3-77.1-85.7000109.6L24L24-H26 PolarHBondContact O-N 2.64Å
27G33.2Very low35.9Very low46 Ų46106.4 Ų106.447%0.47463%0.631SS.*EExtended strand (participates in β ladder)trans-84.3136.816200000109.5
28L37Very low35.6Very low104 Ų104106.1 Ų106.155%0.54563%0.63SS.*  trans-67.9137.8165.9-64.3171.5000108.9G30L28-G30 PolarHBondContact O-N 3.38Å
29P41Very low35.1Very low128 Ų128108.1 Ų108.183%0.83165%0.645SS**  trans-68.899.9169.928.9-31.9000108.2G31P29-G31 PolarHBondContact O-N 3.43Å
30G33.8Very low34.7Very low72 Ų72111 Ų11174%0.74266%0.661SS**PPolyproline II helixtrans-71.5119.7176.500000110.2L28L28-G30 PolarHBondContact O-N 3.38Å
31G33.2Very low34.4Very low64 Ų64115.6 Ų115.666%0.6667%0.667SS**PPolyproline II helixtrans-64.8152.6166.800000111.5P29 V33P29-G31 PolarHBondContact O-N 3.43Å; G31-V33 PolarHBondContact O-N 3.12Å
32D30Very low33.9Very low163 Ų163124.7 Ų124.787%0.87270%0.697SS**PPolyproline II helixtrans-58.7124.3-173.5-65.3-80.6000113.4
33V36.3Very low33.5Very low139 Ų139130.3 Ų130.384%0.84271%0.706SS**  trans-97.599.1168.4-75.70000109.2G31G31-V33 PolarHBondContact O-N 3.12Å
34H31Very low32.9Very low196 Ų196133 Ų13391%0.90774%0.738SS**  trans-64.2135.1170.5-89.5-37.2000111.2
35G24.8Very low32.2Very low67 Ų67138.9 Ų138.969%0.69176%0.759SS**  trans-171.777.3-179.300000114.9
36V28.3Very low31.7Very low142 Ų142136.1 Ų136.186%0.86177%0.765SS**  trans53113.8146.7-172.50000119.8
37V31Very low30.9Very low131 Ų131141.3 Ų141.379%0.79479%0.79SS**  -146.3146.5128.9174.50000109
38E30.1Very low30.7Very low166 Ų166144.8 Ų144.878%0.77681%0.807SS**  trans-31.6132.4171.5-75.8151.4115.900116.4
39E28.4Very low30.4Very low182 Ų182144.8 Ų144.885%0.8582%0.822SS**  67.89481.7-169.5171.9170.500114.2
40M28.2Very low30.1Very low178 Ų178142.7 Ų142.788%0.87782%0.815SS**  trans-153.6150.6153.1-156.263.1-177.400110.4
41E29.7Very low30Very low185 Ų185146.9 Ų146.986%0.86482%0.819SS**  trans67.973.2173.1-69.9-173.1101.400119.3
42R29.5Very low30.2Very low212 Ų212148.9 Ų148.980%0.882%0.823SS**  trans-98.8114.5143.7-109-173.967.379.1-9.4111.1
43R29.5Very low30.4Very low228 Ų228146.3 Ų146.386%0.8682%0.817SS**  150.1129128.5-85.5169.8167.2-175.2-2.1113.7
44G28.2Very low30.4Very low73 Ų73143.3 Ų143.375%0.75381%0.808SS**  trans175.868.8162.500000117.7
45K30.6Very low30.8Very low223 Ų223141.9 Ų141.997%0.9781%0.805SS**  trans59.6156.6171.4-66.9172.9173.3178.40115.2
46G26.3Very low31.3Very low64 Ų64145.4 Ų145.466%0.6681%0.808SS**  cis160.4163.6-1.800000109.5
47E29.7Very low31.8Very low205 Ų205146.4 Ų146.496%0.95881%0.805SS**  trans81.8166.8172.5-50.7-168.2129.400118
48S28.7Very low31.8Very low118 Ų118143.8 Ų143.883%0.82581%0.805SS**  trans-131.4167.8-137.1-61.40000115
49A30Very low31.9Very low104 Ų104145 Ų14586%0.8681%0.81SS**  trans69.9139.6166.400000115.3
50A34Very low32.1Very low84 Ų84141.9 Ų141.969%0.69481%0.808SS**  cis-163130.944.800000113.1
51I33.3Very low32.7Very low160 Ų160142 Ų14282%0.82181%0.807SS**  trans26.4146.1141.747.2166.1000124.1
52S35.9Very low32.9Very low106 Ų106139.9 Ų139.974%0.74181%0.807SS**  trans80.4135.4155.2-59.80000116.8
53S36Very low33.3Very low109 Ų109134 Ų13476%0.76280%0.804SS**  cis156.2153.5-3.949.10000104.4
54A34.7Very low34.1Very low77 Ų77130.4 Ų130.464%0.63680%0.799SS**  cis-175.2157-16.600000106.4
55I39.7Very low34.8Very low166 Ų166132.4 Ų132.485%0.85180%0.798SS**  trans56155157.566171.4000118.8
56D35.6Very low35Very low140 Ų140125.3 Ų125.375%0.74978%0.776SS**  cis-145.91776.6-160.422.5000113.5
57M39.3Very low36.1Very low164 Ų164128.4 Ų128.481%0.80878%0.781SS**  trans-63.7166.2-172.9-61.8-65.4168.500117.9
58G30.9Very low36.8Very low76 Ų76123.8 Ų123.878%0.78477%0.768SS**  trans-174.362.9171.700000113.7
59E31.1Very low37.7Very low190 Ų190123 Ų12389%0.88876%0.762SS**  trans-66.5135.6168.9-62.7170.2112.700110.8
60S32.7Very low38.9Very low117 Ų117125.9 Ų125.982%0.81876%0.757SS**  -179.9159.4109.1-1560000111.2
61E40.7Very low40.2Very low182 Ų182132.8 Ų132.885%0.8577%0.766SS**  trans-81140.2-168.2-56.9174.9107.200112.1
62T34.1Very low42.1Very low140 Ų140127.8 Ų127.886%0.85974%0.742SS**  trans-139.7111.1150.2-55.70000108.5M64T62-M64 PolarHBondContact O-N 3.39Å
63A38.8Very low44.3Very low89 Ų89123.7 Ų123.774%0.73672%0.715SS**  trans-63129.4176.700000110.8
64M46.6Very low47Very low152 Ų152123.2 Ų123.275%0.74970%0.703SS**  trans11.6135.6143.8-59.6-61.9-120.900117.3T62 C66T62-M64 PolarHBondContact O-N 3.39Å; M64-C66 HydrophobicContact CE-CB 3.66Å; M64-C66 HydrophobicContact SD-CB 4.13Å
65P43.1Very low49.7Very low114 Ų114119.6 Ų119.674%0.7467%0.674SS**  -122.5120.181.533.5-29000113.5V67P65-V67 HydrophobicContact CB-CG2 4.31Å; P65-V67 HydrophobicContact CG-CG2 4.37Å; P65-V67 PolarHBondContact O-N 3.05Å; P65-V67 VanDerWaalsContact O-N 3.13Å
66C34.2Very low52Low75 Ų75114.2 Ų114.251%0.50765%0.654SS.*  trans-65.4108158.3-179.20000108.7M64 T68M64-C66 HydrophobicContact CE-CB 3.66Å; M64-C66 HydrophobicContact SD-CB 4.13Å; C66-T68 VanDerWaalsContact C-N 3.29Å; C66-T68 PolarHBondContact O-N 3.07Å; C66-T68 PolarHBondContact SG-OG1 3.46Å
67V49Very low54.4Low128 Ų128109.6 Ų109.678%0.77664%0.64SS**  trans-96.643.3174-155.90000110.8P65 S69P65-V67 HydrophobicContact CB-CG2 4.31Å; P65-V67 HydrophobicContact CG-CG2 4.37Å; P65-V67 PolarHBondContact O-N 3.05Å; P65-V67 VanDerWaalsContact O-N 3.13Å; V67-S69 PolarHBondContact O-N 2.93Å
68T43.6Very low56.9Low109 Ų109104.3 Ų104.367%0.66962%0.618SS**  trans-78.2106.7155.458.60000107.2C66 E70C66-T68 VanDerWaalsContact C-N 3.29Å; C66-T68 PolarHBondContact O-N 3.07Å; C66-T68 PolarHBondContact SG-OG1 3.46Å; T68-E70 PolarHBondContact O-N 3.33Å
69S47.9Very low59.5Low100 Ų100103.5 Ų103.570%0.69961%0.61SS**  trans-64.485.1175.3-178.90000109.8V67 R71V67-S69 PolarHBondContact O-N 2.93Å; S69-R71 VanDerWaalsContact C-N 3.27Å; S69-R71 PolarHBondContact O-N 3.29Å
70E54.8Low62.4Low165 Ų165103.3 Ų103.377%0.77160%0.601SS**  trans-6691.9170-168.3175.8-123.300107.1T68 V72T68-E70 PolarHBondContact O-N 3.33Å; E70-V72 WeakPolarHBondContact O-CG2 3.26Å; E70-V72 PolarHBondContact O-N 3Å
71R63.2Low65.2Low229 Ų229104.3 Ų104.386%0.86459%0.591SS**  trans-66.784.8176.9-71.4-174.2-174.8168.42.6108.3S69 A73S69-R71 VanDerWaalsContact C-N 3.27Å; S69-R71 PolarHBondContact O-N 3.29Å; R71-A73 PolarHBondContact O-N 3.48Å; R71-A73 VanDerWaalsContact O-N 3.12Å
72V72.3Confident67.6Low55 Ų5596.5 Ų96.533%0.33356%0.555SS.*  trans-59.6121.9-175.2-168.80000109.2E70 L74 K81E70-V72 WeakPolarHBondContact O-CG2 3.26Å; E70-V72 PolarHBondContact O-N 3Å; V72-L74 PolarHBondContact O-N 3.04Å; V72-K81 HydrophobicContact CG1-CB 3.84Å; V72-K81 HydrophobicContact CG1-CD 3.66Å; V72-K81 HydrophobicContact CG1-CG 3.54Å
73A82.3Confident70.2Confident21 Ų2194.5 Ų94.517%0.17455%0.552CS.*  trans-60.9110.7179.400000109.8R71 K81 I82R71-A73 PolarHBondContact O-N 3.48Å; R71-A73 VanDerWaalsContact O-N 3.12Å; A73-K81 CarbonylContact O-C 3.54Å; A73-K81 WeakPolarHBondContact O-CA 3.5Å; A73-I82 HydrophobicContact CB-CB 4.02Å; A73-I82 HydrophobicContact CB-CD1 4.23Å; A73-I82 HydrophobicContact CB-CG1 4.43Å; A73-I82 PolarHBondContact O-N 3.04Å
74L91.6Very high72.4Confident98 Ų9893.9 Ų93.951%0.51354%0.536SS..BIsolated β-bridgetrans-101.2126.2177.8-66.5-178.5000109.8V72 A76 K81V72-L74 PolarHBondContact O-N 3.04Å; L74-A76 PolarHBondContact O-N 3.14Å; L74-K81 HydrophobicContact CD2-CB 4.47Å; L74-K81 HydrophobicContact CD2-CG 3.84Å
75C91.9Very high74.3Confident1 Ų195 Ų951%0.00753%0.532CS..  trans-72.6116.6178.8172.50000111.2G77 C78 G79 R80 I82 Q94 H96 C99C75-G77 PolarHBondContact O-N 2.83Å; C75-G77 VanDerWaalsContact O-N 3.11Å; C75-G77 PolarHBondContact SG-N 2.91Å; C75-C78 PolarHBondContact O-N 3.12Å; C75-C78 VanDerWaalsContact O-N 3.12Å; C75-C78 VanDerWaalsContact SG-SG 3.64Å; C75-G79 WeakPolarHBondContact O-CA 3.3Å; C75-G79 PolarHBondContact O-N 3.32Å; C75-R80 PolarHBondContact N-O 3.46Å; C75-I82 HydrophobicContact CB-CD1 4.01Å; C75-I82 HydrophobicContact CB-CG1 3.77Å; C75-Q94 CarbonylContact C-O 3.57Å; C75-Q94 WeakPolarHBondContact CA-O 3.46Å; C75-H96 WeakPolarHBondContact CB-CE1 3.38Å; C75-H96 VanDerWaalsContact CB-ND1 3.29Å; C75-H96 WeakPolarHBondContact CB-ND1 3.28Å; C75-H96 PolarHBondContact SG-N 3.21Å; C75-H96 VanDerWaalsContact SG-N 3.41Å; C75-H96 PolarHBondContact SG-ND1 3.28Å; C75-C99 VanDerWaalsContact SG-CB 3.56Å
76A88.4Confident76.3Confident53 Ų5395.6 Ų95.644%0.43852%0.52SS..THydrogen-bonded Turntrans-59.6-25.7179.800000114.1L74 K93 Q94 W95L74-A76 PolarHBondContact O-N 3.14Å; A76-K93 HydrophobicContact CB-CB 3.87Å; A76-K93 HydrophobicContact CB-CD 3.87Å; A76-K93 HydrophobicContact CB-CG 4.31Å; A76-Q94 PolarHBondContact N-O 3.06Å; A76-W95 HydrophobicContact CB-CD2 4.13Å; A76-W95 HydrophobicContact CB-CE3 4.33Å; A76-W95 HydrophobicContact CB-CH2 3.96Å; A76-W95 HydrophobicContact CB-CZ2 3.75Å; A76-W95 HydrophobicContact CB-CZ3 4.25Å
77G87.1Confident78.9Confident44 Ų4493.5 Ų93.545%0.45450%0.502SS..THydrogen-bonded Turntrans-82.5-16.4178.100000116.2C75 W95C75-G77 PolarHBondContact O-N 2.83Å; C75-G77 VanDerWaalsContact O-N 3.11Å; C75-G77 PolarHBondContact SG-N 2.91Å; G77-W95 VanDerWaalsContact CA-CZ3 3.45Å
78C89.9Confident80.8Confident52 Ų5287.8 Ų87.835%0.35147%0.467SS..THydrogen-bonded Turntrans-142.4-1-177.1720000115.5C75 R80 H96C75-C78 PolarHBondContact O-N 3.12Å; C75-C78 VanDerWaalsContact O-N 3.12Å; C75-C78 VanDerWaalsContact SG-SG 3.64Å; C78-R80 PolarHBondContact O-N 2.87Å; C78-R80 VanDerWaalsContact O-N 3.1Å; C78-H96 PolarHBondContact SG-CE1 2.93Å; C78-H96 PolarHBondContact SG-ND1 2.86Å; C78-H96 VanDerWaalsContact SG-ND1 3.41Å
79G87.2Confident82.9Confident59 Ų5985 Ų8561%0.60845%0.448SS*.  trans70.4-3.7178.700000115.8C75C75-G79 WeakPolarHBondContact O-CA 3.3Å; C75-G79 PolarHBondContact O-N 3.32Å
80R90.7Very high84.7Confident186 Ų18680.3 Ų80.370%0.70242%0.415SS*.SBendtrans-87.9154.9-176.3-58.3-177-169.8178.51.4112.1C75 C78C75-R80 PolarHBondContact N-O 3.46Å; C78-R80 PolarHBondContact O-N 2.87Å; C78-R80 VanDerWaalsContact O-N 3.1Å
81K92.3Very high86.2Confident139 Ų13974.3 Ų74.360%0.60439%0.39SS*.BIsolated β-bridgetrans-58.4130.7168.5-61.4-177.2160.5-163.80110V72 A73 L74V72-K81 HydrophobicContact CG1-CB 3.84Å; V72-K81 HydrophobicContact CG1-CD 3.66Å; V72-K81 HydrophobicContact CG1-CG 3.54Å; A73-K81 CarbonylContact O-C 3.54Å; A73-K81 WeakPolarHBondContact O-CA 3.5Å; L74-K81 HydrophobicContact CD2-CB 4.47Å; L74-K81 HydrophobicContact CD2-CG 3.84Å
82I90.3Very high87.2Confident18 Ų1870.1 Ų70.19%0.09238%0.384CS..  trans-81.5112.8174.1-60.8174.4000107.7A73 C75 D84 Y87 Q94A73-I82 HydrophobicContact CB-CB 4.02Å; A73-I82 HydrophobicContact CB-CD1 4.23Å; A73-I82 HydrophobicContact CB-CG1 4.43Å; A73-I82 PolarHBondContact O-N 3.04Å; C75-I82 HydrophobicContact CB-CD1 4.01Å; C75-I82 HydrophobicContact CB-CG1 3.77Å; I82-D84 HydrophobicContact CG2-CB 4.29Å; I82-Y87 HydrophobicContact CG2-CD1 4.26Å; I82-Y87 HydrophobicContact CG2-CG 4.26Å; I82-Q94 HydrophobicContact CD1-CB 3.69Å
83A88.3Confident88Confident97 Ų9773 Ų7380%0.80239%0.393SS*.  trans-104-2.717200000112.6
84D86.3Confident88.3Confident76 Ų7675 Ų7541%0.40640%0.398SS..  trans-68.9138-179.8-66.7-20.4000110.9I82 Y86 H96I82-D84 HydrophobicContact CG2-CB 4.29Å; D84-Y86 WeakPolarHBondContact CB-O 3.28Å; D84-Y86 PolarHBondContact O-N 2.85Å; D84-H96 IonicContact OD2-CD2 3.55Å; D84-H96 PolarHBondContact OD2-CD2 3.46Å; D84-H96 VanDerWaalsContact OD2-CD2 3.25Å; D84-H96 IonicContact OD2-CG 3.99Å
85R86.6Confident88.3Confident177 Ų17771.8 Ų71.867%0.66838%0.379SS*.SBendtrans-58.1-30.1175.6-177.5-178.3-68.1-174.6-1.6113
86Y85.4Confident88.2Confident125 Ų12573 Ų7349%0.4938%0.384SS..EExtended strand (participates in β ladder)trans-128.3131.7179.8-53.4-67.7000109.4D84D84-Y86 WeakPolarHBondContact CB-O 3.28Å; D84-Y86 PolarHBondContact O-N 2.85Å
87Y88.3Confident88.2Confident32 Ų3273.7 Ų73.713%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-136.9166.8176.563.6-92.7000110.5I82 Q94I82-Y87 HydrophobicContact CG2-CD1 4.26Å; I82-Y87 HydrophobicContact CG2-CG 4.26Å; Y87-Q94 HydrophobicContact CD2-CB 4.31Å; Y87-Q94 HydrophobicContact CD2-CG 4.31Å; Y87-Q94 HydrophobicContact CE2-CB 4.49Å; Y87-Q94 HydrophobicContact CE2-CG 3.99Å
88L87.9Confident88.3Confident8 Ų881.4 Ų81.44%0.04240%0.395CS..EExtended strand (participates in β ladder)trans-104.3130.7-176.7-67.9-176.7000110.1M23 F25 Q94 W95 M97 L100 E110M23-L88 HydrophobicContact CE-CB 3.59Å; M23-L88 HydrophobicContact CE-CD1 4.3Å; M23-L88 HydrophobicContact CE-CD2 4.04Å; M23-L88 HydrophobicContact CE-CG 4.18Å; F25-L88 HydrophobicContact CE1-CD2 4.27Å; F25-L88 HydrophobicContact CZ-CD2 4.31Å; L88-Q94 CarbonylContact O-C 3.54Å; L88-Q94 WeakPolarHBondContact O-CA 3.43Å; L88-W95 HydrophobicContact CB-CB 4.35Å; L88-W95 PolarHBondContact N-O 3.2Å; L88-W95 PolarHBondContact O-N 3.11Å; L88-M97 HydrophobicContact CD1-CB 4.49Å; L88-M97 HydrophobicContact CG-CG 4.24Å; L88-L100 HydrophobicContact CB-CD2 4.41Å; L88-L100 HydrophobicContact CD1-CB 4.01Å; L88-L100 HydrophobicContact CD1-CD2 3.76Å; L88-E110 HydrophobicContact CD1-CB 4.4Å
89L88Confident88.2Confident51 Ų5180.7 Ų80.727%0.26739%0.39SS..EExtended strand (participates in β ladder)trans-104.7115.2172.8-17272.4000109.2M23 K93 Q94M23-L89 WeakPolarHBondContact CE-O 3.48Å; M23-L89 VanDerWaalsContact SD-O 3.34Å; L89-K93 WeakPolarHBondContact CA-O 3.49Å; L89-Q94 HydrophobicContact CD1-CG 3.81Å
90A86.3Confident88.3Confident1 Ų177.9 Ų77.91%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-137.7129.7-179.900000110.2M23 D92 K93 W95 L100M23-A90 HydrophobicContact CE-CB 3.88Å; M23-A90 HydrophobicContact SD-CB 3.62Å; A90-D92 VanDerWaalsContact C-N 3.32Å; A90-D92 PolarHBondContact O-N 3.44Å; A90-K93 PolarHBondContact N-O 3.37Å; A90-K93 WeakPolarHBondContact O-CB 3.48Å; A90-K93 PolarHBondContact O-N 3.31Å; A90-K93 VanDerWaalsContact O-O 3.05Å; A90-W95 PolarHBondContact O-NE1 3.08Å; A90-L100 HydrophobicContact CB-CD1 3.98Å; A90-L100 HydrophobicContact CB-CD2 4.4Å
91V86.2Confident88.3Confident38 Ų3873.2 Ų73.223%0.2335%0.346CS..THydrogen-bonded Turntrans53.249.6175.4-159.20000111.6A21 K93 S117 I122A21-V91 HydrophobicContact CB-CG2 4.34Å; V91-K93 PolarHBondContact O-N 2.96Å; V91-S117 VanDerWaalsContact CG2-CB 3.47Å; V91-I122 HydrophobicContact CB-CD1 4.47Å; V91-I122 HydrophobicContact CG2-CD1 3.57Å
92D84.6Confident88.2Confident141 Ų14166.6 Ų66.675%0.75432%0.318SS*.THydrogen-bonded Turntrans54.422.7-177.2-51.1-39.2000114.8A90A90-D92 VanDerWaalsContact C-N 3.32Å; A90-D92 PolarHBondContact O-N 3.44Å
93K87.8Confident88.1Confident117 Ų11768 Ų6851%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-127.3147.6178.5-67.4-178.5-163.5-53.40111.2A76 L89 A90 V91 W95A76-K93 HydrophobicContact CB-CB 3.87Å; A76-K93 HydrophobicContact CB-CD 3.87Å; A76-K93 HydrophobicContact CB-CG 4.31Å; L89-K93 WeakPolarHBondContact CA-O 3.49Å; A90-K93 PolarHBondContact N-O 3.37Å; A90-K93 WeakPolarHBondContact O-CB 3.48Å; A90-K93 PolarHBondContact O-N 3.31Å; A90-K93 VanDerWaalsContact O-O 3.05Å; V91-K93 PolarHBondContact O-N 2.96Å; K93-W95 HydrophobicContact CB-CZ2 4.4Å; K93-W95 PolarHBondContact O-NE1 3.34Å
94Q90.3Very high88Confident61 Ų6166 Ų6629%0.28530%0.302SS..EExtended strand (participates in β ladder)trans-96.1142.7-179.4-62.5162.1-10.300110C75 A76 I82 Y87 L88 L89C75-Q94 CarbonylContact C-O 3.57Å; C75-Q94 WeakPolarHBondContact CA-O 3.46Å; A76-Q94 PolarHBondContact N-O 3.06Å; I82-Q94 HydrophobicContact CD1-CB 3.69Å; Y87-Q94 HydrophobicContact CD2-CB 4.31Å; Y87-Q94 HydrophobicContact CD2-CG 4.31Å; Y87-Q94 HydrophobicContact CE2-CB 4.49Å; Y87-Q94 HydrophobicContact CE2-CG 3.99Å; L88-Q94 CarbonylContact O-C 3.54Å; L88-Q94 WeakPolarHBondContact O-CA 3.43Å; L89-Q94 HydrophobicContact CD1-CG 3.81Å
95W90.7Very high88.1Confident31 Ų3164.9 Ų64.912%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-142.2138.5-174.8-53.579.6000110.2A76 G77 L88 A90 K93 L100 I122A76-W95 HydrophobicContact CB-CD2 4.13Å; A76-W95 HydrophobicContact CB-CE3 4.33Å; A76-W95 HydrophobicContact CB-CH2 3.96Å; A76-W95 HydrophobicContact CB-CZ2 3.75Å; A76-W95 HydrophobicContact CB-CZ3 4.25Å; G77-W95 VanDerWaalsContact CA-CZ3 3.45Å; L88-W95 HydrophobicContact CB-CB 4.35Å; L88-W95 PolarHBondContact N-O 3.2Å; L88-W95 PolarHBondContact O-N 3.11Å; A90-W95 PolarHBondContact O-NE1 3.08Å; K93-W95 HydrophobicContact CB-CZ2 4.4Å; K93-W95 PolarHBondContact O-NE1 3.34Å; W95-L100 HydrophobicContact CB-CB 4.07Å; W95-L100 HydrophobicContact CB-CD1 4.37Å; W95-L100 HydrophobicContact CD2-CD1 3.65Å; W95-L100 HydrophobicContact CE3-CD1 4.06Å; W95-L100 HydrophobicContact CG-CB 4.37Å; W95-L100 HydrophobicContact CG-CD1 3.78Å; W95-L100 HydrophobicContact CZ2-CD1 4.48Å; W95-I122 HydrophobicContact CH2-CG1 4.12Å; W95-I122 HydrophobicContact CZ2-CD1 4.46Å; W95-I122 HydrophobicContact CZ2-CG1 4.04Å
96H90.6Very high88.2Confident26 Ų2662.9 Ų62.912%0.1230%0.296CS..  trans-61147.8160.7-55.2109.7000109.4C75 C78 D84 R98 C99 L100C75-H96 WeakPolarHBondContact CB-CE1 3.38Å; C75-H96 VanDerWaalsContact CB-ND1 3.29Å; C75-H96 WeakPolarHBondContact CB-ND1 3.28Å; C75-H96 PolarHBondContact SG-N 3.21Å; C75-H96 VanDerWaalsContact SG-N 3.41Å; C75-H96 PolarHBondContact SG-ND1 3.28Å; C78-H96 PolarHBondContact SG-CE1 2.93Å; C78-H96 PolarHBondContact SG-ND1 2.86Å; C78-H96 VanDerWaalsContact SG-ND1 3.41Å; D84-H96 IonicContact OD2-CD2 3.55Å; D84-H96 PolarHBondContact OD2-CD2 3.46Å; D84-H96 VanDerWaalsContact OD2-CD2 3.25Å; D84-H96 IonicContact OD2-CG 3.99Å; H96-R98 PolarHBondContact O-N 2.83Å; H96-R98 VanDerWaalsContact O-N 3.13Å; H96-C99 HydrophobicContact CB-CB 3.99Å; H96-C99 PolarHBondContact O-N 3.41Å; H96-L100 PolarHBondContact O-N 3.1Å
97M88Confident88.3Confident69 Ų6962.1 Ų62.134%0.3430%0.3SS..THydrogen-bonded Turntrans-51-41176.4-60.9178.165.700112L88 C99 N108L88-M97 HydrophobicContact CD1-CB 4.49Å; L88-M97 HydrophobicContact CG-CG 4.24Å; M97-C99 PolarHBondContact O-N 3.07Å; M97-N108 PolarHBondContact O-ND2 2.92Å
98R87.9Confident88.2Confident206 Ų20663 Ų6378%0.77731%0.307SS*.THydrogen-bonded Turntrans-76.2-16.8179-60.6-176.570.6-179.82.6114.4H96 K101 N108H96-R98 PolarHBondContact O-N 2.83Å; H96-R98 VanDerWaalsContact O-N 3.13Å; R98-K101 WeakPolarHBondContact O-CE 3.31Å; R98-N108 WeakPolarHBondContact CA-ND2 3.16Å; R98-N108 PolarHBondContact O-ND2 3.4Å
99C88.8Confident88.1Confident36 Ų3663 Ų6324%0.24331%0.306CS..THydrogen-bonded Turntrans-95-22.9-176.7-71.50000113.7C75 H96 M97 K101C75-C99 VanDerWaalsContact SG-CB 3.56Å; H96-C99 HydrophobicContact CB-CB 3.99Å; H96-C99 PolarHBondContact O-N 3.41Å; M97-C99 PolarHBondContact O-N 3.07Å; C99-K101 PolarHBondContact O-N 2.97Å; C99-K101 VanDerWaalsContact O-N 3.17Å
100L88.8Confident87.6Confident1 Ų165.2 Ų65.21%0.00532%0.315CS..  trans-75.4103.2173.5-168.972.6000109.8M23 L88 A90 W95 H96 L109 I122M23-L100 HydrophobicContact CE-CD2 3.58Å; M23-L100 HydrophobicContact SD-CD2 4.31Å; L88-L100 HydrophobicContact CB-CD2 4.41Å; L88-L100 HydrophobicContact CD1-CB 4.01Å; L88-L100 HydrophobicContact CD1-CD2 3.76Å; A90-L100 HydrophobicContact CB-CD1 3.98Å; A90-L100 HydrophobicContact CB-CD2 4.4Å; W95-L100 HydrophobicContact CB-CB 4.07Å; W95-L100 HydrophobicContact CB-CD1 4.37Å; W95-L100 HydrophobicContact CD2-CD1 3.65Å; W95-L100 HydrophobicContact CE3-CD1 4.06Å; W95-L100 HydrophobicContact CG-CB 4.37Å; W95-L100 HydrophobicContact CG-CD1 3.78Å; W95-L100 HydrophobicContact CZ2-CD1 4.48Å; H96-L100 PolarHBondContact O-N 3.1Å; L100-L109 HydrophobicContact CD2-CB 4.09Å; L100-L109 HydrophobicContact CG-CB 4.15Å; L100-L109 HydrophobicContact CG-CD1 4.47Å; L100-L109 PolarHBondContact O-N 2.9Å; L100-I122 HydrophobicContact CD1-CG1 4.48Å; L100-I122 HydrophobicContact CD1-CG2 4.22Å
101K90.1Very high86.9Confident87 Ų8770 Ų7038%0.37835%0.349SS..BIsolated β-bridgetrans-134149.9-177.8-65.9174.2-179.1-93.60110.8R98 C99 C103 L107 N108R98-K101 WeakPolarHBondContact O-CE 3.31Å; C99-K101 PolarHBondContact O-N 2.97Å; C99-K101 VanDerWaalsContact O-N 3.17Å; K101-C103 PolarHBondContact O-N 3.4Å; K101-L107 WeakPolarHBondContact CA-O 3.45Å; K101-N108 PolarHBondContact NZ-OD1 2.9Å
102C90.3Very high86.1Confident1 Ų171.8 Ų71.81%0.00736%0.355CS..  trans-60.9134.2168.8-179.40000110.5E104 C105 K106 L107 L109 I122 C124 D127C102-E104 PolarHBondContact O-N 3.31Å; C102-E104 PolarHBondContact SG-N 2.95Å; C102-E104 VanDerWaalsContact SG-N 3.37Å; C102-C105 WeakPolarHBondContact CB-SG 3.25Å; C102-C105 VanDerWaalsContact SG-SG 3.68Å; C102-K106 WeakPolarHBondContact O-CA 3.47Å; C102-K106 PolarHBondContact O-N 3.19Å; C102-K106 VanDerWaalsContact O-N 3.13Å; C102-L107 PolarHBondContact N-O 2.89Å; C102-L109 HydrophobicContact CB-CD2 4.49Å; C102-I122 CarbonylContact C-O 3.55Å; C102-C124 HydrophobicContact CB-CB 4.04Å; C102-C124 PolarHBondContact SG-N 3.47Å; C102-D127 PolarHBondContact SG-OD2 3.26Å
103C89Confident85.2Confident46 Ų4671.2 Ų71.231%0.31135%0.351SS..THydrogen-bonded Turntrans-62.4-23.8176.2-77.90000112.9K101 K106 I122 Y123K101-C103 PolarHBondContact O-N 3.4Å; C103-K106 WeakPolarHBondContact O-CE 3.33Å; C103-K106 PolarHBondContact O-NZ 3.14Å; C103-I122 WeakPolarHBondContact CB-O 3.33Å; C103-I122 PolarHBondContact N-O 2.72Å; C103-Y123 HydrophobicContact CB-CE1 4.36Å
104E86.6Confident84.6Confident57 Ų5769.1 Ų69.127%0.26635%0.348SS..THydrogen-bonded Turntrans-94.4-78.9-179.3-53.9-58.4165.700111.9C102 K106 Y123 D127 R131C102-E104 PolarHBondContact O-N 3.31Å; C102-E104 PolarHBondContact SG-N 2.95Å; C102-E104 VanDerWaalsContact SG-N 3.37Å; E104-K106 PolarHBondContact O-N 2.69Å; E104-K106 VanDerWaalsContact O-N 3.12Å; E104-Y123 HydrophobicContact CG-CD1 3.83Å; E104-Y123 HydrophobicContact CG-CE1 3.69Å; E104-Y123 WeakPolarHBondContact OE1-CE1 3.49Å; E104-D127 HydrophobicContact CB-CB 4.12Å; E104-D127 WeakPolarHBondContact CB-OD2 3.18Å; E104-D127 HydrophobicContact CG-CB 4.26Å; E104-R131 VanDerWaalsContact CD-NH2 3.34Å; E104-R131 IonicContact OE1-CZ 2.74Å; E104-R131 IonicContact OE1-NE 3.97Å; E104-R131 IonicContact OE1-NH1 3.95Å; E104-R131 PolarHBondContact OE1-NH1 3.42Å; E104-R131 IonicContact OE1-NH2 3.25Å; E104-R131 IonicContact OE2-CZ 3.83Å; E104-R131 IonicContact OE2-NE 3.14Å; E104-R131 IonicContact OE2-NH1 2.64Å; E104-R131 PolarHBondContact OE2-NH1 3.33Å; E104-R131 VanDerWaalsContact OE2-NH1 3.14Å; E104-R131 IonicContact OE2-NH2 2.69Å; E104-R131 PolarHBondContact OE2-NH2 2.6Å
105C88Confident84.4Confident52 Ų5266.4 Ų66.435%0.35134%0.336SS..THydrogen-bonded Turntrans-69.9-5.6-177.663.30000115.5C102 L107 D127C102-C105 WeakPolarHBondContact CB-SG 3.25Å; C102-C105 VanDerWaalsContact SG-SG 3.68Å; C105-L107 HydrophobicContact CB-CD1 4.29Å; C105-L107 HydrophobicContact CB-CG 4.1Å; C105-L107 PolarHBondContact O-N 2.78Å; C105-L107 VanDerWaalsContact SG-CG 3.53Å; C105-D127 VanDerWaalsContact CB-OD2 3.23Å; C105-D127 WeakPolarHBondContact CB-OD2 3.32Å; C105-D127 PolarHBondContact N-OD2 2.94Å; C105-D127 PolarHBondContact SG-OD2 2.84Å
106K88Confident84.3Confident134 Ų13466.4 Ų66.458%0.58334%0.336SS*.  trans569.7-176-49.5-52.1-171.2-171.20115.6C102 C103 E104C102-K106 WeakPolarHBondContact O-CA 3.47Å; C102-K106 PolarHBondContact O-N 3.19Å; C102-K106 VanDerWaalsContact O-N 3.13Å; C103-K106 WeakPolarHBondContact O-CE 3.33Å; C103-K106 PolarHBondContact O-NZ 3.14Å; E104-K106 PolarHBondContact O-N 2.69Å; E104-K106 VanDerWaalsContact O-N 3.12Å
107L87.4Confident84.2Confident110 Ų11066.2 Ų66.258%0.57634%0.338SS*.  trans-59.8139175-69.7176.2000110.4K101 C102 C105K101-L107 WeakPolarHBondContact CA-O 3.45Å; C102-L107 PolarHBondContact N-O 2.89Å; C105-L107 HydrophobicContact CB-CD1 4.29Å; C105-L107 HydrophobicContact CB-CG 4.1Å; C105-L107 PolarHBondContact O-N 2.78Å; C105-L107 VanDerWaalsContact SG-CG 3.53Å
108N87.8Confident84.1Confident51 Ų5166 Ų6627%0.27334%0.335SS..BIsolated β-bridgetrans-69.9125.5173.1-84.886.1000109.8M97 R98 K101 E110M97-N108 PolarHBondContact O-ND2 2.92Å; R98-N108 WeakPolarHBondContact CA-ND2 3.16Å; R98-N108 PolarHBondContact O-ND2 3.4Å; K101-N108 PolarHBondContact NZ-OD1 2.9Å; N108-E110 VanDerWaalsContact C-N 3.29Å; N108-E110 HydrophobicContact CB-CG 4.45Å; N108-E110 PolarHBondContact O-N 2.83Å
109L84.3Confident83.9Confident6 Ų662.6 Ų62.63%0.03133%0.333CS..THydrogen-bonded Turntrans-91.814.8-176.1-59.4176.4000112.7L100 C102 S111 E112 C115 I122 C124L100-L109 HydrophobicContact CD2-CB 4.09Å; L100-L109 HydrophobicContact CG-CB 4.15Å; L100-L109 HydrophobicContact CG-CD1 4.47Å; L100-L109 PolarHBondContact O-N 2.9Å; C102-L109 HydrophobicContact CB-CD2 4.49Å; L109-S111 PolarHBondContact O-N 2.8Å; L109-E112 PolarHBondContact O-N 3.5Å; L109-E112 VanDerWaalsContact O-O 3.11Å; L109-C115 HydrophobicContact CD1-CB 3.84Å; L109-I122 HydrophobicContact CD1-CG2 3.61Å; L109-C124 HydrophobicContact CD2-CB 3.6Å
110E78.8Confident83.5Confident98 Ų9864.6 Ų64.646%0.45836%0.36SS..THydrogen-bonded Turntrans-65.7-24.8177.567.3-174.7-174.500113.2L88 N108L88-E110 HydrophobicContact CD1-CB 4.4Å; N108-E110 VanDerWaalsContact C-N 3.29Å; N108-E110 HydrophobicContact CB-CG 4.45Å; N108-E110 PolarHBondContact O-N 2.83Å
111S71.3Confident83.5Confident101 Ų10166.5 Ų66.571%0.70637%0.373SS*.SBendtrans-91.9-19.5-18056.40000113.8L109L109-S111 PolarHBondContact O-N 2.8Å
112E68.3Low83.5Confident77 Ų7762.8 Ų62.836%0.3636%0.357SS..  trans-96.8108.1173.3-66.9-161151.300109.5L109 T114 K125L109-E112 PolarHBondContact O-N 3.5Å; L109-E112 VanDerWaalsContact O-O 3.11Å; E112-T114 PolarHBondContact O-N 3.06Å; E112-K125 PolarHBondContact OE2-N 3.37Å
113L66.4Low83.4Confident129 Ų12963.6 Ų63.668%0.67536%0.36SS*.SBendtrans-57.8-6178.3-75.3151.9000115.2M23M23-L113 WeakPolarHBondContact CG-O 3.48Å
114T76.4Confident83.4Confident73 Ų7361.8 Ų61.845%0.44835%0.348SS..EExtended strand (participates in β ladder)trans-137.4119.4-178.956.60000109.5E112E112-T114 PolarHBondContact O-N 3.06Å
115C85.3Confident83.3Confident3 Ų364.3 Ų64.32%0.0236%0.358CS..EExtended strand (participates in β ladder)trans-107.5155.6167.365.40000110.2L109 I122L109-C115 HydrophobicContact CD1-CB 3.84Å; C115-I122 HydrophobicContact CB-CG2 3.94Å
116F88Confident83.1Confident31 Ų3167.1 Ų67.114%0.13637%0.366CS..EExtended strand (participates in β ladder)trans-109145.2177.8-66.7-96.4000109.7I122 Y123 K125 Y128 Y129F116-I122 CarbonylContact O-C 3.57Å; F116-I122 WeakPolarHBondContact O-CA 3.46Å; F116-Y123 PolarHBondContact N-O 3.31Å; F116-Y123 PolarHBondContact O-N 2.93Å; F116-K125 HydrophobicContact CD2-CB 4.25Å; F116-K125 HydrophobicContact CE2-CB 3.78Å; F116-K125 HydrophobicContact CE2-CG 3.78Å; F116-K125 HydrophobicContact CZ-CG 4.35Å; F116-Y128 HydrophobicContact CB-CD1 3.87Å; F116-Y128 HydrophobicContact CB-CD2 3.35Å; F116-Y128 HydrophobicContact CB-CE1 4.16Å; F116-Y128 HydrophobicContact CB-CE2 3.65Å; F116-Y128 HydrophobicContact CB-CG 3.43Å; F116-Y128 VanDerWaalsContact CB-CG 3.43Å; F116-Y128 AromaticContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD2 4.49Å; F116-Y128 AromaticContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE1 3.46Å; F116-Y128 VanDerWaalsContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE2 4.37Å; F116-Y128 HydrophobicContact CD1-CG 4.08Å; F116-Y128 AromaticContact CD1-CZ 3.85Å; F116-Y128 HydrophobicContact CD2-CD1 4.46Å; F116-Y128 HydrophobicContact CD2-CG 4.46Å; F116-Y128 HydrophobicContact CE1-CD1 4.25Å; F116-Y128 HydrophobicContact CE1-CE1 4.15Å; F116-Y128 AromaticContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD2 4.14Å; F116-Y128 HydrophobicContact CG-CE1 4.01Å; F116-Y128 HydrophobicContact CG-CE2 4.39Å; F116-Y128 AromaticContact CG-CG 3.74Å; F116-Y128 HydrophobicContact CG-CG 3.74Å; F116-Y129 HydrophobicContact CZ-CE2 4.17Å
117S89Confident83Confident23 Ų2361.7 Ų61.716%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-127.9142.817977.80000111.6V91 S121V91-S117 VanDerWaalsContact CG2-CB 3.47Å; S117-S121 VanDerWaalsContact CA-O 3.31Å; S117-S121 WeakPolarHBondContact CA-O 3.4Å
118K85.6Confident82.9Confident64 Ų6457.5 Ų57.528%0.27832%0.32SS..EExtended strand (participates in β ladder)trans-152.1134.2174.2-157.7-173172.4-92.90108.9G120 S121 Y123 Y128 F132K118-G120 PolarHBondContact O-N 2.87Å; K118-G120 VanDerWaalsContact O-N 3.1Å; K118-S121 PolarHBondContact N-O 2.82Å; K118-S121 PolarHBondContact O-N 3.03Å; K118-Y123 HydrophobicContact CB-CE2 4.15Å; K118-Y128 HydrophobicContact CB-CE2 4.28Å; K118-F132 HydrophobicContact CB-CE2 4.34Å; K118-F132 HydrophobicContact CD-CD1 3.59Å; K118-F132 HydrophobicContact CD-CD2 3.98Å; K118-F132 HydrophobicContact CD-CE1 3.65Å; K118-F132 HydrophobicContact CD-CE2 4.03Å; K118-F132 HydrophobicContact CD-CG 3.76Å; K118-F132 HydrophobicContact CD-CZ 3.86Å
119D83.8Confident82.6Confident135 Ų13559.6 Ų59.672%0.72233%0.325SS*.THydrogen-bonded Turntrans52.336.3175.5-49.3-40.5000113.2S121D119-S121 PolarHBondContact O-N 2.89Å
120G81.6Confident82.4Confident78 Ų7865.2 Ų65.280%0.80435%0.345SS*.THydrogen-bonded Turntrans77.3-5-177.100000115.9K118K118-G120 PolarHBondContact O-N 2.87Å; K118-G120 VanDerWaalsContact O-N 3.1Å
121S88.4Confident82.3Confident41 Ų4167.2 Ų67.229%0.28735%0.349SS..EExtended strand (participates in β ladder)trans-95.4144.7176.6-69.60000112.1S117 K118 D119 Y123S117-S121 VanDerWaalsContact CA-O 3.31Å; S117-S121 WeakPolarHBondContact CA-O 3.4Å; K118-S121 PolarHBondContact N-O 2.82Å; K118-S121 PolarHBondContact O-N 3.03Å; D119-S121 PolarHBondContact O-N 2.89Å; S121-Y123 WeakPolarHBondContact CB-OH 3.45Å; S121-Y123 WeakPolarHBondContact O-CD2 3.42Å; S121-Y123 WeakPolarHBondContact O-CE2 3.38Å
122I88.8Confident82.8Confident8 Ų864.8 Ų64.84%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-101.1136.7179-53.4-59.8000109.9V91 W95 L100 C102 C103 L109 C115 F116V91-I122 HydrophobicContact CB-CD1 4.47Å; V91-I122 HydrophobicContact CG2-CD1 3.57Å; W95-I122 HydrophobicContact CH2-CG1 4.12Å; W95-I122 HydrophobicContact CZ2-CD1 4.46Å; W95-I122 HydrophobicContact CZ2-CG1 4.04Å; L100-I122 HydrophobicContact CD1-CG1 4.48Å; L100-I122 HydrophobicContact CD1-CG2 4.22Å; C102-I122 CarbonylContact C-O 3.55Å; C103-I122 WeakPolarHBondContact CB-O 3.33Å; C103-I122 PolarHBondContact N-O 2.72Å; L109-I122 HydrophobicContact CD1-CG2 3.61Å; C115-I122 HydrophobicContact CB-CG2 3.94Å; F116-I122 CarbonylContact O-C 3.57Å; F116-I122 WeakPolarHBondContact O-CA 3.46Å
123Y88.8Confident83.1Confident19 Ų1961.9 Ų61.98%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-129.2145.1-177.5-61.3-87.3000110.8C103 E104 F116 K118 S121 Y128 F132C103-Y123 HydrophobicContact CB-CE1 4.36Å; E104-Y123 HydrophobicContact CG-CD1 3.83Å; E104-Y123 HydrophobicContact CG-CE1 3.69Å; E104-Y123 WeakPolarHBondContact OE1-CE1 3.49Å; F116-Y123 PolarHBondContact N-O 3.31Å; F116-Y123 PolarHBondContact O-N 2.93Å; K118-Y123 HydrophobicContact CB-CE2 4.15Å; S121-Y123 WeakPolarHBondContact CB-OH 3.45Å; S121-Y123 WeakPolarHBondContact O-CD2 3.42Å; S121-Y123 WeakPolarHBondContact O-CE2 3.38Å; Y123-Y128 HydrophobicContact CD2-CD2 4.21Å; Y123-Y128 HydrophobicContact CG-CD2 4.34Å; Y123-F132 HydrophobicContact CD1-CE2 4.12Å; Y123-F132 AromaticContact CD2-CE2 3.88Å; Y123-F132 HydrophobicContact CD2-CE2 3.88Å; Y123-F132 AromaticContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CZ 4.14Å; Y123-F132 AromaticContact CE2-CE2 3.63Å; Y123-F132 HydrophobicContact CE2-CE2 3.63Å; Y123-F132 AromaticContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CG-CE2 4.13Å; Y123-F132 AromaticContact CZ-CE2 3.65Å; Y123-F132 AromaticContact CZ-CZ 3.7Å
124C88.3Confident83.4Confident8 Ų861.9 Ų61.95%0.05432%0.319CS..  trans-67.8161.9163.2720000109.6C102 L109 E126 D127 Y128C102-C124 HydrophobicContact CB-CB 4.04Å; C102-C124 PolarHBondContact SG-N 3.47Å; L109-C124 HydrophobicContact CD2-CB 3.6Å; C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 3.21Å; C124-D127 PolarHBondContact O-N 3.07Å; C124-D127 VanDerWaalsContact SG-CG 3.6Å; C124-D127 PolarHBondContact SG-N 3.26Å; C124-D127 PolarHBondContact SG-OD2 2.79Å; C124-D127 VanDerWaalsContact SG-OD2 3.32Å; C124-Y128 WeakPolarHBondContact O-CB 3.39Å; C124-Y128 PolarHBondContact O-N 2.87Å
125K84.8Confident83.6Confident109 Ų10962.6 Ų62.647%0.47432%0.317SS..Hα-helixtrans-52.5-46.3178.7-174.9178177.6-178.30112.6E112 F116 Y129E112-K125 PolarHBondContact OE2-N 3.37Å; F116-K125 HydrophobicContact CD2-CB 4.25Å; F116-K125 HydrophobicContact CE2-CB 3.78Å; F116-K125 HydrophobicContact CE2-CG 3.78Å; F116-K125 HydrophobicContact CZ-CG 4.35Å; K125-Y129 HydrophobicContact CG-CD2 3.89Å; K125-Y129 HydrophobicContact CG-CE2 3.77Å; K125-Y129 WeakPolarHBondContact O-CD2 3.42Å; K125-Y129 PolarHBondContact O-N 3.32Å; K125-Y129 VanDerWaalsContact O-N 3.13Å
126E84.3Confident83.8Confident112 Ų11267.8 Ų67.852%0.52334%0.336SS..Hα-helixtrans-65.6-52.3-176.1179.859.3-155.500112.6C124 Y128 Y129 R130C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 3.21Å; E126-Y128 VanDerWaalsContact C-N 3.31Å; E126-Y128 PolarHBondContact O-N 2.99Å; E126-Y129 PolarHBondContact O-N 3.21Å; E126-R130 WeakPolarHBondContact O-CB 3.42Å; E126-R130 PolarHBondContact O-N 3.3Å; E126-R130 IonicContact OE1-CZ 3.74Å; E126-R130 IonicContact OE1-NE 2.94Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.83Å
127D85.3Confident83.9Confident20 Ų2066.3 Ų66.311%0.10733%0.33CS..Hα-helixtrans-66.7-35.1-179.4-72.9-36.9000112C102 E104 C105 C124 R130 R131C102-D127 PolarHBondContact SG-OD2 3.26Å; E104-D127 HydrophobicContact CB-CB 4.12Å; E104-D127 WeakPolarHBondContact CB-OD2 3.18Å; E104-D127 HydrophobicContact CG-CB 4.26Å; C105-D127 VanDerWaalsContact CB-OD2 3.23Å; C105-D127 WeakPolarHBondContact CB-OD2 3.32Å; C105-D127 PolarHBondContact N-OD2 2.94Å; C105-D127 PolarHBondContact SG-OD2 2.84Å; C124-D127 PolarHBondContact O-N 3.07Å; C124-D127 VanDerWaalsContact SG-CG 3.6Å; C124-D127 PolarHBondContact SG-N 3.26Å; C124-D127 PolarHBondContact SG-OD2 2.79Å; C124-D127 VanDerWaalsContact SG-OD2 3.32Å; D127-R130 PolarHBondContact O-N 2.9Å; D127-R131 WeakPolarHBondContact O-CB 3.41Å; D127-R131 PolarHBondContact O-N 3.4Å
128Y86.6Confident84Confident22 Ų2266.8 Ų66.89%0.08634%0.335CS..Hα-helixtrans-60.4-54.2175.2-176.1-98.8000111.4W18 F116 K118 Y123 C124 E126 R130 R131 F132W18-Y128 AromaticContact CZ3-CZ 3.97Å; W18-Y128 WeakPolarHBondContact CZ3-OH 3.42Å; F116-Y128 HydrophobicContact CB-CD1 3.87Å; F116-Y128 HydrophobicContact CB-CD2 3.35Å; F116-Y128 HydrophobicContact CB-CE1 4.16Å; F116-Y128 HydrophobicContact CB-CE2 3.65Å; F116-Y128 HydrophobicContact CB-CG 3.43Å; F116-Y128 VanDerWaalsContact CB-CG 3.43Å; F116-Y128 AromaticContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD2 4.49Å; F116-Y128 AromaticContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE1 3.46Å; F116-Y128 VanDerWaalsContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE2 4.37Å; F116-Y128 HydrophobicContact CD1-CG 4.08Å; F116-Y128 AromaticContact CD1-CZ 3.85Å; F116-Y128 HydrophobicContact CD2-CD1 4.46Å; F116-Y128 HydrophobicContact CD2-CG 4.46Å; F116-Y128 HydrophobicContact CE1-CD1 4.25Å; F116-Y128 HydrophobicContact CE1-CE1 4.15Å; F116-Y128 AromaticContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD2 4.14Å; F116-Y128 HydrophobicContact CG-CE1 4.01Å; F116-Y128 HydrophobicContact CG-CE2 4.39Å; F116-Y128 AromaticContact CG-CG 3.74Å; F116-Y128 HydrophobicContact CG-CG 3.74Å; K118-Y128 HydrophobicContact CB-CE2 4.28Å; Y123-Y128 HydrophobicContact CD2-CD2 4.21Å; Y123-Y128 HydrophobicContact CG-CD2 4.34Å; C124-Y128 WeakPolarHBondContact O-CB 3.39Å; C124-Y128 PolarHBondContact O-N 2.87Å; E126-Y128 VanDerWaalsContact C-N 3.31Å; E126-Y128 PolarHBondContact O-N 2.99Å; Y128-R130 VanDerWaalsContact C-N 3.31Å; Y128-R130 PolarHBondContact O-N 3.46Å; Y128-R131 PolarHBondContact O-N 2.95Å; Y128-F132 AromaticContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CE2 4.12Å; Y128-F132 AromaticContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CG-CD2 4.16Å; Y128-F132 WeakPolarHBondContact O-CA 3.49Å; Y128-F132 WeakPolarHBondContact O-CB 3.48Å; Y128-F132 WeakPolarHBondContact O-CD2 3.44Å; Y128-F132 PolarHBondContact O-N 3.02Å
129Y81.6Confident84.3Confident94 Ų9467.8 Ų67.837%0.36934%0.337SS..Hα-helixtrans-65.8-33.7175.7-73.7-62.7000111.9F116 K125 E126 R131 S133F116-Y129 HydrophobicContact CZ-CE2 4.17Å; K125-Y129 HydrophobicContact CG-CD2 3.89Å; K125-Y129 HydrophobicContact CG-CE2 3.77Å; K125-Y129 WeakPolarHBondContact O-CD2 3.42Å; K125-Y129 PolarHBondContact O-N 3.32Å; K125-Y129 VanDerWaalsContact O-N 3.13Å; E126-Y129 PolarHBondContact O-N 3.21Å; Y129-R131 PolarHBondContact O-N 3.43Å; Y129-S133 WeakPolarHBondContact O-CB 3.42Å; Y129-S133 PolarHBondContact O-N 2.86Å; Y129-S133 PolarHBondContact O-OG 2.85Å
130R79.4Confident84.6Confident124 Ų12463.7 Ų63.747%0.46832%0.318SS..Hα-helixtrans-64-36.6177.7-176.4177.8-63.6-143.5-1.9113.6E126 D127 Y128 R136E126-R130 WeakPolarHBondContact O-CB 3.42Å; E126-R130 PolarHBondContact O-N 3.3Å; E126-R130 IonicContact OE1-CZ 3.74Å; E126-R130 IonicContact OE1-NE 2.94Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.83Å; D127-R130 PolarHBondContact O-N 2.9Å; Y128-R130 VanDerWaalsContact C-N 3.31Å; Y128-R130 PolarHBondContact O-N 3.46Å; R130-R136 PolarHBondContact O-NH1 3.22Å
131R77.6Confident84.9Confident140 Ų14065.8 Ų65.853%0.52831%0.307SS..Hα-helixtrans-93.9-36.9-179.1-69.8-169171.3-145-4.6114E104 D127 Y128 Y129E104-R131 VanDerWaalsContact CD-NH2 3.34Å; E104-R131 IonicContact OE1-CZ 2.74Å; E104-R131 IonicContact OE1-NE 3.97Å; E104-R131 IonicContact OE1-NH1 3.95Å; E104-R131 PolarHBondContact OE1-NH1 3.42Å; E104-R131 IonicContact OE1-NH2 3.25Å; E104-R131 IonicContact OE2-CZ 3.83Å; E104-R131 IonicContact OE2-NE 3.14Å; E104-R131 IonicContact OE2-NH1 2.64Å; E104-R131 PolarHBondContact OE2-NH1 3.33Å; E104-R131 VanDerWaalsContact OE2-NH1 3.14Å; E104-R131 IonicContact OE2-NH2 2.69Å; E104-R131 PolarHBondContact OE2-NH2 2.6Å; D127-R131 WeakPolarHBondContact O-CB 3.41Å; D127-R131 PolarHBondContact O-N 3.4Å; Y128-R131 PolarHBondContact O-N 2.95Å; Y129-R131 PolarHBondContact O-N 3.43Å
132F79.9Confident84.8Confident50 Ų5068.5 Ų68.522%0.21932%0.318CS..Hα-helixtrans-11510.6-170.6-48.2-61.3000114K118 Y123 Y128 V134K118-F132 HydrophobicContact CB-CE2 4.34Å; K118-F132 HydrophobicContact CD-CD1 3.59Å; K118-F132 HydrophobicContact CD-CD2 3.98Å; K118-F132 HydrophobicContact CD-CE1 3.65Å; K118-F132 HydrophobicContact CD-CE2 4.03Å; K118-F132 HydrophobicContact CD-CG 3.76Å; K118-F132 HydrophobicContact CD-CZ 3.86Å; Y123-F132 HydrophobicContact CD1-CE2 4.12Å; Y123-F132 AromaticContact CD2-CE2 3.88Å; Y123-F132 HydrophobicContact CD2-CE2 3.88Å; Y123-F132 AromaticContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CZ 4.14Å; Y123-F132 AromaticContact CE2-CE2 3.63Å; Y123-F132 HydrophobicContact CE2-CE2 3.63Å; Y123-F132 AromaticContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CG-CE2 4.13Å; Y123-F132 AromaticContact CZ-CE2 3.65Å; Y123-F132 AromaticContact CZ-CZ 3.7Å; Y128-F132 AromaticContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CE2 4.12Å; Y128-F132 AromaticContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CG-CD2 4.16Å; Y128-F132 WeakPolarHBondContact O-CA 3.49Å; Y128-F132 WeakPolarHBondContact O-CB 3.48Å; Y128-F132 WeakPolarHBondContact O-CD2 3.44Å; Y128-F132 PolarHBondContact O-N 3.02Å; F132-V134 PolarHBondContact O-N 3.03Å
133S75.5Confident84.7Confident17 Ų1769.3 Ų69.312%0.11933%0.328CS..  trans-61.2120.3164.244.20000110.2Y129 Q135 G143Y129-S133 WeakPolarHBondContact O-CB 3.42Å; Y129-S133 PolarHBondContact O-N 2.86Å; Y129-S133 PolarHBondContact O-OG 2.85Å; S133-Q135 PolarHBondContact O-N 3.01Å; S133-G143 WeakPolarHBondContact OG-CA 3.46Å
134V72.1Confident84.6Confident128 Ų12869.3 Ų69.378%0.77633%0.329SS*.SBendtrans-64.6-24.9176.9-174.50000111.6F132F132-V134 PolarHBondContact O-N 3.03Å
135Q81Confident84.3Confident88 Ų8871 Ų7141%0.41134%0.341SS..  trans-122119.9-174.9-68.5-75.1-10.400110.1S133 I144S133-Q135 PolarHBondContact O-N 3.01Å; Q135-I144 PolarHBondContact O-N 3.29Å
136R88.9Confident84.2Confident113 Ų11370.9 Ų70.943%0.42636%0.36SS..BIsolated β-bridgetrans-113.4142.8176.2-54.3-174.479.291.4-0.1110R130 A138 H141 L142R130-R136 PolarHBondContact O-NH1 3.22Å; R136-A138 PolarHBondContact O-N 3.43Å; R136-H141 VanDerWaalsContact CZ-O 3.23Å; R136-H141 PolarHBondContact NE-O 2.73Å; R136-H141 PolarHBondContact NH2-O 3.37Å; R136-L142 WeakPolarHBondContact CA-O 3.44Å
137C91.3Very high84Confident0 Ų071 Ų710%037%0.373CS..  trans-66.1122.3176.3174.90000110.8R139 C140 H141 L142 I144 V157 H159 C162C137-R139 PolarHBondContact O-N 3.19Å; C137-C140 VanDerWaalsContact CB-SG 3.6Å; C137-C140 PolarHBondContact O-N 3.01Å; C137-H141 WeakPolarHBondContact O-CA 3Å; C137-H141 PolarHBondContact O-N 3.19Å; C137-L142 PolarHBondContact N-O 3.02Å; C137-I144 HydrophobicContact CB-CD1 4.3Å; C137-I144 HydrophobicContact CB-CG1 4.26Å; C137-V157 CarbonylContact C-O 3.59Å; C137-V157 WeakPolarHBondContact CA-O 3.48Å; C137-H159 VanDerWaalsContact CB-CE1 3.42Å; C137-H159 WeakPolarHBondContact CB-CE1 3.2Å; C137-C162 VanDerWaalsContact SG-CB 3.56Å
138A91.4Very high84.1Confident32 Ų3274 Ų7426%0.26439%0.387SS..THydrogen-bonded Turntrans-66.5-9.7-177.300000114.8R136 H141 L156 V157 Y158R136-A138 PolarHBondContact O-N 3.43Å; A138-H141 PolarHBondContact O-CE1 2.74Å; A138-L156 HydrophobicContact CB-CB 3.98Å; A138-L156 HydrophobicContact CB-CD1 4.2Å; A138-L156 HydrophobicContact CB-CD2 4.09Å; A138-L156 HydrophobicContact CB-CG 4.32Å; A138-V157 PolarHBondContact N-O 3.13Å; A138-Y158 HydrophobicContact CB-CD1 4.22Å; A138-Y158 HydrophobicContact CB-CE1 3.71Å; A138-Y158 HydrophobicContact CB-CE2 4.39Å
139R90.8Very high84.3Confident86 Ų8680 Ų8033%0.32542%0.417SS..THydrogen-bonded Turntrans-101-40.5179-177.2101.4-178.51795.8114C137 Y158 C162 T164 T166C137-R139 PolarHBondContact O-N 3.19Å; R139-Y158 HydrophobicContact CB-CD1 3.87Å; R139-Y158 HydrophobicContact CB-CE1 4.19Å; R139-C162 HydrophobicContact CB-CB 3.95Å; R139-C162 WeakPolarHBondContact CD-O 3.42Å; R139-C162 HydrophobicContact CG-CB 4.13Å; R139-T164 PolarHBondContact NH1-O 3.32Å; R139-T164 VanDerWaalsContact NH1-O 3.1Å; R139-T166 PolarHBondContact NH1-OG1 2.95Å
140C90.7Very high84.9Confident48 Ų4877.6 Ų77.632%0.32441%0.412SS..THydrogen-bonded Turntrans-115.3-3.1-177.368.40000113.9C137 L142 H159 C162C137-C140 VanDerWaalsContact CB-SG 3.6Å; C137-C140 PolarHBondContact O-N 3.01Å; C140-L142 PolarHBondContact O-N 3.21Å; C140-H159 PolarHBondContact SG-CE1 3.12Å; C140-H159 PolarHBondContact SG-ND1 3.21Å; C140-H159 VanDerWaalsContact SG-ND1 3.37Å; C140-C162 VanDerWaalsContact SG-SG 3.62Å
141H87.8Confident85.5Confident123 Ų12373.8 Ų73.857%0.56940%0.401SS*.  trans55.912.1178.4-48.6-62000115.9R136 C137 A138R136-H141 VanDerWaalsContact CZ-O 3.23Å; R136-H141 PolarHBondContact NE-O 2.73Å; R136-H141 PolarHBondContact NH2-O 3.37Å; C137-H141 WeakPolarHBondContact O-CA 3Å; C137-H141 PolarHBondContact O-N 3.19Å; A138-H141 PolarHBondContact O-CE1 2.74Å
142L86.6Confident86.3Confident98 Ų9874.6 Ų74.651%0.51340%0.403SS..PPolyproline II helixtrans-76.6150.7169.1-62.7173.5000110.4R136 C137 C140R136-L142 WeakPolarHBondContact CA-O 3.44Å; C137-L142 PolarHBondContact N-O 3.02Å; C140-L142 PolarHBondContact O-N 3.21Å
143G85.8Confident86.8Confident25 Ų2572.5 Ų72.526%0.25840%0.396SS..BIsolated β-bridgetrans-69.6138.5175.600000111.4S133S133-G143 WeakPolarHBondContact OG-CA 3.46Å
144I87Confident87.5Confident19 Ų1980.2 Ų80.210%0.09742%0.422CS..PPolyproline II helixtrans-92132.5179.6-53.2-176.6000108.9Q135 C137 E148 V150 V157Q135-I144 PolarHBondContact O-N 3.29Å; C137-I144 HydrophobicContact CB-CD1 4.3Å; C137-I144 HydrophobicContact CB-CG1 4.26Å; I144-E148 HydrophobicContact CG2-CB 4.49Å; I144-V150 HydrophobicContact CD1-CG1 3.9Å; I144-V150 HydrophobicContact CG2-CG1 3.42Å; I144-V150 VanDerWaalsContact CG2-CG1 3.42Å; I144-V157 HydrophobicContact CD1-CB 3.93Å; I144-V157 HydrophobicContact CD1-CG1 3.45Å; I144-V157 VanDerWaalsContact CD1-CG1 3.45Å
145S83Confident88.3Confident42 Ų4281.6 Ų81.629%0.29443%0.425SS..PPolyproline II helixtrans-78.1144.917676.80000112.2S147 E148S145-S147 PolarHBondContact O-N 2.87Å; S145-S147 VanDerWaalsContact O-N 3.08Å; S145-S147 PolarHBondContact OG-OG 3.1Å; S145-E148 WeakPolarHBondContact O-CB 3.48Å; S145-E148 PolarHBondContact O-N 2.98Å; S145-E148 WeakPolarHBondContact OG-CB 3.23Å; S145-E148 PolarHBondContact OG-N 3.41Å
146A80.9Confident88.8Confident107 Ų10779.9 Ų79.988%0.88442%0.419SS*.THydrogen-bonded Turntrans-61.6-19.9-179.500000114.3
147S80.5Confident89Confident114 Ų11475 Ų7580%0.79740%0.402SS*.THydrogen-bonded Turntrans-90.8-8.5175.550.50000114.5S145S145-S147 PolarHBondContact O-N 2.87Å; S145-S147 VanDerWaalsContact O-N 3.08Å; S145-S147 PolarHBondContact OG-OG 3.1Å
148E88.4Confident89.1Confident84 Ų8475.2 Ų75.239%0.39340%0.402SS..SBendtrans-88.3138.2-176.5177.6169.5-169.100111.4I144 S145 H159I144-E148 HydrophobicContact CG2-CB 4.49Å; S145-E148 WeakPolarHBondContact O-CB 3.48Å; S145-E148 PolarHBondContact O-N 2.98Å; S145-E148 WeakPolarHBondContact OG-CB 3.23Å; S145-E148 PolarHBondContact OG-N 3.41Å; E148-H159 IonicContact OE1-CD2 3.61Å; E148-H159 PolarHBondContact OE1-CD2 3.4Å; E148-H159 IonicContact OE1-CG 3.11Å; E148-H159 IonicContact OE2-CD2 2.87Å; E148-H159 IonicContact OE2-NE2 2.72Å
149M90Very high89.2Confident147 Ų14774.5 Ų74.572%0.72439%0.393SS*.  trans-72.6142.2173.9-64.8-176.367.600110L160M149-L160 VanDerWaalsContact C-CD1 3.47Å; M149-L160 HydrophobicContact CB-CD1 3.9Å; M149-L160 WeakPolarHBondContact O-CD1 3.18Å
150V93.4Very high89.3Confident44 Ų4473.8 Ų73.827%0.26740%0.395SS..EExtended strand (participates in β ladder)trans-126.4156.3-178.7-66.60000112.3I144 R152 V157 Y158I144-V150 HydrophobicContact CD1-CG1 3.9Å; I144-V150 HydrophobicContact CG2-CG1 3.42Å; I144-V150 VanDerWaalsContact CG2-CG1 3.42Å; V150-R152 HydrophobicContact CG2-CG 4.32Å; V150-V157 HydrophobicContact CB-CG1 3.56Å; V150-V157 HydrophobicContact CG1-CG1 3.68Å; V150-V157 HydrophobicContact CG2-CG1 3.81Å; V150-Y158 WeakPolarHBondContact CA-O 3.48Å
151M93.3Very high89.5Confident45 Ų4577.8 Ų77.822%0.22241%0.414CS..EExtended strand (participates in β ladder)trans-96.2130.8157-72.8-79.778.200109.1Y158 L160 F163M151-Y158 PolarHBondContact N-O 3.02Å; M151-Y158 PolarHBondContact O-N 3.43Å; M151-L160 HydrophobicContact CG-CD1 4.4Å; M151-F163 HydrophobicContact CB-CB 3.94Å; M151-F163 HydrophobicContact CB-CD1 4.11Å; M151-F163 HydrophobicContact CB-CD2 3.81Å; M151-F163 HydrophobicContact CB-CE2 4.36Å; M151-F163 HydrophobicContact CB-CG 3.68Å; M151-F163 HydrophobicContact CG-CB 3.88Å; M151-F163 HydrophobicContact CG-CD1 3.86Å; M151-F163 HydrophobicContact CG-CD2 4.44Å; M151-F163 HydrophobicContact CG-CG 3.8Å; M151-F163 HydrophobicContact SD-CD1 4.2Å; M151-F163 HydrophobicContact SD-CE1 4.47Å
152R93.3Very high89.8Confident156 Ų15673 Ų7359%0.58939%0.394SS*.EExtended strand (participates in β ladder)trans-106.5135.9169.3-67-169.5172.4174.50.8108.6V150 L156 V157V150-R152 HydrophobicContact CG2-CG 4.32Å; R152-L156 WeakPolarHBondContact CA-O 2.97Å; R152-V157 HydrophobicContact CG-CG1 4.32Å; R152-V157 HydrophobicContact CG-CG2 4.19Å
153A91Very high90.2Very high7 Ų768.6 Ų68.66%0.05837%0.371CS..EExtended strand (participates in β ladder)trans-145.9113.2174.800000108.8L156 Y158 F163 F178 M180A153-L156 PolarHBondContact N-O 3.43Å; A153-L156 PolarHBondContact O-N 2.79Å; A153-Y158 HydrophobicContact CB-CE2 4.31Å; A153-F163 HydrophobicContact CB-CE2 3.84Å; A153-F163 HydrophobicContact CB-CZ 4.17Å; A153-F178 HydrophobicContact CB-CE2 4.09Å; A153-F178 HydrophobicContact CB-CZ 4.04Å; A153-M180 HydrophobicContact CB-CE 3.51Å
154R89.4Confident90.7Very high179 Ų17968.4 Ų68.468%0.67537%0.365SS*.THydrogen-bonded Turntrans51.4-138.8-160.4-55.1-178-179.6149.43.2109.2L156 M180R154-L156 PolarHBondContact O-N 2.78Å; R154-M180 HydrophobicContact CG-SD 4.15Å; R154-M180 PolarHBondContact NH2-O 3.39Å
155D89.6Confident91.1Very high157 Ų15767.5 Ų67.584%0.8436%0.36SS*.THydrogen-bonded Turntrans-81.85-177.7-43.5-70.2000113.4
156L91.9Very high91.6Very high52 Ų5267.9 Ų67.927%0.27236%0.36SS..EExtended strand (participates in β ladder)trans-105.3139.6-176.3-60.8178.5000112A138 R152 A153 R154 Y158 S183A138-L156 HydrophobicContact CB-CB 3.98Å; A138-L156 HydrophobicContact CB-CD1 4.2Å; A138-L156 HydrophobicContact CB-CD2 4.09Å; A138-L156 HydrophobicContact CB-CG 4.32Å; R152-L156 WeakPolarHBondContact CA-O 2.97Å; A153-L156 PolarHBondContact N-O 3.43Å; A153-L156 PolarHBondContact O-N 2.79Å; R154-L156 PolarHBondContact O-N 2.78Å; L156-Y158 HydrophobicContact CB-CE2 3.63Å; L156-Y158 WeakPolarHBondContact CD1-OH 3.44Å; L156-S183 VanDerWaalsContact CD1-CB 3.5Å
157V92.8Very high92.2Very high11 Ų1167 Ų677%0.06734%0.344CS..EExtended strand (participates in β ladder)trans-113.4141.3179.8-165.40000110C137 A138 I144 V150 R152C137-V157 CarbonylContact C-O 3.59Å; C137-V157 WeakPolarHBondContact CA-O 3.48Å; A138-V157 PolarHBondContact N-O 3.13Å; I144-V157 HydrophobicContact CD1-CB 3.93Å; I144-V157 HydrophobicContact CD1-CG1 3.45Å; I144-V157 VanDerWaalsContact CD1-CG1 3.45Å; V150-V157 HydrophobicContact CB-CG1 3.56Å; V150-V157 HydrophobicContact CG1-CG1 3.68Å; V150-V157 HydrophobicContact CG2-CG1 3.81Å; R152-V157 HydrophobicContact CG-CG1 4.32Å; R152-V157 HydrophobicContact CG-CG2 4.19Å
158Y93Very high92.9Very high3 Ų364.2 Ų64.21%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-136.4144.2-176.7-56.7-99.8000109.9A138 R139 V150 M151 A153 L156 F163 M180 S183 V185A138-Y158 HydrophobicContact CB-CD1 4.22Å; A138-Y158 HydrophobicContact CB-CE1 3.71Å; A138-Y158 HydrophobicContact CB-CE2 4.39Å; R139-Y158 HydrophobicContact CB-CD1 3.87Å; R139-Y158 HydrophobicContact CB-CE1 4.19Å; V150-Y158 WeakPolarHBondContact CA-O 3.48Å; M151-Y158 PolarHBondContact N-O 3.02Å; M151-Y158 PolarHBondContact O-N 3.43Å; A153-Y158 HydrophobicContact CB-CE2 4.31Å; L156-Y158 HydrophobicContact CB-CE2 3.63Å; L156-Y158 WeakPolarHBondContact CD1-OH 3.44Å; Y158-F163 HydrophobicContact CD1-CD2 4.46Å; Y158-F163 AromaticContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CE2 4.12Å; Y158-F163 HydrophobicContact CE2-CD2 4.42Å; Y158-F163 HydrophobicContact CE2-CE2 4.35Å; Y158-F163 AromaticContact CG-CD2 3.87Å; Y158-F163 HydrophobicContact CG-CD2 3.87Å; Y158-M180 HydrophobicContact CE2-CE 4.09Å; Y158-M180 WeakPolarHBondContact OH-CE 3.45Å; Y158-S183 PolarHBondContact OH-O 3.46Å; Y158-V185 HydrophobicContact CE1-CG2 4.29Å; Y158-V185 HydrophobicContact CE2-CG2 4.47Å
159H93.8Very high93.2Very high18 Ų1864.2 Ų64.28%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-61.5151.2161.3-50.7121.1000109.7C137 C140 E148 N161 C162 F163C137-H159 VanDerWaalsContact CB-CE1 3.42Å; C137-H159 WeakPolarHBondContact CB-CE1 3.2Å; C140-H159 PolarHBondContact SG-CE1 3.12Å; C140-H159 PolarHBondContact SG-ND1 3.21Å; C140-H159 VanDerWaalsContact SG-ND1 3.37Å; E148-H159 IonicContact OE1-CD2 3.61Å; E148-H159 PolarHBondContact OE1-CD2 3.4Å; E148-H159 IonicContact OE1-CG 3.11Å; E148-H159 IonicContact OE2-CD2 2.87Å; E148-H159 IonicContact OE2-NE2 2.72Å; H159-N161 VanDerWaalsContact C-N 3.26Å; H159-N161 PolarHBondContact O-N 2.97Å; H159-C162 HydrophobicContact CB-CB 4Å; H159-C162 CarbonylContact O-C 3.58Å; H159-C162 WeakPolarHBondContact O-CA 3.49Å; H159-C162 WeakPolarHBondContact O-CB 3.2Å; H159-C162 PolarHBondContact O-N 3.08Å; H159-F163 PolarHBondContact O-N 3.13Å
160L93.1Very high93.4Very high70 Ų7062 Ų6237%0.36632%0.319SS..G310 helixtrans-52.8-45.5175.7-90.363.5000111.8M149 M151 C162 F163M149-L160 VanDerWaalsContact C-CD1 3.47Å; M149-L160 HydrophobicContact CB-CD1 3.9Å; M149-L160 WeakPolarHBondContact O-CD1 3.18Å; M151-L160 HydrophobicContact CG-CD1 4.4Å; L160-C162 PolarHBondContact O-N 3.48Å; L160-F163 PolarHBondContact O-N 3.03Å
161N94.3Very high93.4Very high133 Ų13364.3 Ų64.371%0.71133%0.329SS*.G310 helixtrans-68.8-18.1179.1-62.76.1000113.3H159H159-N161 VanDerWaalsContact C-N 3.26Å; H159-N161 PolarHBondContact O-N 2.97Å
162C93.9Very high93.4Very high22 Ų2262.4 Ų62.415%0.14932%0.319CS..G310 helixtrans-94.6-11178.2-68.40000113.1C137 R139 C140 H159 L160 T164C137-C162 VanDerWaalsContact SG-CB 3.56Å; R139-C162 HydrophobicContact CB-CB 3.95Å; R139-C162 WeakPolarHBondContact CD-O 3.42Å; R139-C162 HydrophobicContact CG-CB 4.13Å; C140-C162 VanDerWaalsContact SG-SG 3.62Å; H159-C162 HydrophobicContact CB-CB 4Å; H159-C162 CarbonylContact O-C 3.58Å; H159-C162 WeakPolarHBondContact O-CA 3.49Å; H159-C162 WeakPolarHBondContact O-CB 3.2Å; H159-C162 PolarHBondContact O-N 3.08Å; L160-C162 PolarHBondContact O-N 3.48Å; C162-T164 PolarHBondContact O-N 3.28Å
163F95.7Very high93.4Very high6 Ų658.7 Ų58.73%0.02631%0.314CS..  trans-83.167.3177.9-160.1-109.5000110.3M151 A153 Y158 H159 L160 L172 F178 V185M151-F163 HydrophobicContact CB-CB 3.94Å; M151-F163 HydrophobicContact CB-CD1 4.11Å; M151-F163 HydrophobicContact CB-CD2 3.81Å; M151-F163 HydrophobicContact CB-CE2 4.36Å; M151-F163 HydrophobicContact CB-CG 3.68Å; M151-F163 HydrophobicContact CG-CB 3.88Å; M151-F163 HydrophobicContact CG-CD1 3.86Å; M151-F163 HydrophobicContact CG-CD2 4.44Å; M151-F163 HydrophobicContact CG-CG 3.8Å; M151-F163 HydrophobicContact SD-CD1 4.2Å; M151-F163 HydrophobicContact SD-CE1 4.47Å; A153-F163 HydrophobicContact CB-CE2 3.84Å; A153-F163 HydrophobicContact CB-CZ 4.17Å; Y158-F163 HydrophobicContact CD1-CD2 4.46Å; Y158-F163 AromaticContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CE2 4.12Å; Y158-F163 HydrophobicContact CE2-CD2 4.42Å; Y158-F163 HydrophobicContact CE2-CE2 4.35Å; Y158-F163 AromaticContact CG-CD2 3.87Å; Y158-F163 HydrophobicContact CG-CD2 3.87Å; H159-F163 PolarHBondContact O-N 3.13Å; L160-F163 PolarHBondContact O-N 3.03Å; F163-L172 HydrophobicContact CD1-CB 3.75Å; F163-L172 HydrophobicContact CE1-CB 3.89Å; F163-L172 HydrophobicContact CE1-CD1 4.42Å; F163-L172 PolarHBondContact O-N 2.93Å; F163-F178 HydrophobicContact CE1-CD1 4.25Å; F163-F178 HydrophobicContact CE1-CE1 4.31Å; F163-F178 HydrophobicContact CE1-CG 4.43Å; F163-F178 HydrophobicContact CZ-CD1 4.2Å; F163-F178 HydrophobicContact CZ-CD2 4.01Å; F163-F178 AromaticContact CZ-CE1 4Å; F163-F178 HydrophobicContact CZ-CE1 4Å; F163-F178 AromaticContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CG 4.21Å; F163-F178 AromaticContact CZ-CZ 3.81Å; F163-F178 HydrophobicContact CZ-CZ 3.81Å; F163-V185 HydrophobicContact CD2-CG1 4.48Å; F163-V185 HydrophobicContact CD2-CG2 4.18Å; F163-V185 HydrophobicContact CE1-CG1 4.36Å; F163-V185 HydrophobicContact CE2-CB 4.48Å; F163-V185 HydrophobicContact CE2-CG1 3.97Å; F163-V185 HydrophobicContact CE2-CG2 3.71Å; F163-V185 HydrophobicContact CZ-CG1 3.9Å; F163-V185 HydrophobicContact CZ-CG2 4.39Å
164T95.7Very high93.5Very high21 Ų2164.6 Ų64.613%0.12935%0.35CS..BIsolated β-bridgetrans-116.8147.2-175530000111.2R139 C162 T166 K170 M171R139-T164 PolarHBondContact NH1-O 3.32Å; R139-T164 VanDerWaalsContact NH1-O 3.1Å; C162-T164 PolarHBondContact O-N 3.28Å; T164-T166 PolarHBondContact O-N 3.45Å; T164-K170 CarbonylContact C-O 3.6Å; T164-K170 WeakPolarHBondContact CA-O 3.15Å; T164-M171 HydrophobicContact CG2-CB 4.01Å; T164-M171 HydrophobicContact CG2-CG 4.4Å
165C95.4Very high93.5Very high0 Ų059.4 Ų59.40%035%0.351CS..  trans-63.5130173.7173.20000110.7T167 C168 S169 K170 V185 C187C165-T167 VanDerWaalsContact C-N 3.31Å; C165-T167 PolarHBondContact O-N 3.1Å; C165-C168 VanDerWaalsContact SG-SG 3.66Å; C165-S169 WeakPolarHBondContact O-CA 3.46Å; C165-S169 PolarHBondContact O-N 3.47Å; C165-K170 PolarHBondContact N-O 3.27Å; C165-V185 CarbonylContact C-O 3.53Å; C165-V185 WeakPolarHBondContact CA-O 3.42Å; C165-C187 HydrophobicContact CB-CB 4.07Å; C165-C187 PolarHBondContact SG-N 3.27Å
166T94.7Very high93.7Very high50 Ų5054.2 Ų54.231%0.30732%0.324SS..THydrogen-bonded Turntrans-61.6-35.1179.5-58.20000113.4R139 T164 V185R139-T166 PolarHBondContact NH1-OG1 2.95Å; T164-T166 PolarHBondContact O-N 3.45Å; T166-V185 PolarHBondContact N-O 3.5Å; T166-V185 PolarHBondContact OG1-O 3.05Å
167T94.1Very high93.8Very high87 Ų8758.2 Ų58.253%0.53434%0.341SS..THydrogen-bonded Turntrans-77.5-40.3-177.2-450000114.1C165 Y186 H190C165-T167 VanDerWaalsContact C-N 3.31Å; C165-T167 PolarHBondContact O-N 3.1Å; T167-Y186 WeakPolarHBondContact OG1-CD1 3.5Å; T167-H190 HydrophobicContact CG2-CB 4.3Å
168C94.9Very high93.9Very high57 Ų5762 Ų6239%0.38536%0.356SS..THydrogen-bonded Turntrans-123.64.9-173.567.40000115.2C165 K170 H190C165-C168 VanDerWaalsContact SG-SG 3.66Å; C168-K170 PolarHBondContact O-N 3.23Å; C168-H190 VanDerWaalsContact CB-CE1 3.4Å; C168-H190 WeakPolarHBondContact CB-CE1 3.38Å; C168-H190 PolarHBondContact SG-CE1 3.48Å; C168-H190 PolarHBondContact SG-ND1 3.39Å
169S94.3Very high93.9Very high83 Ų8362.1 Ų62.158%0.5836%0.359SS*.  trans55.89.6-177.4-600000115.7C165 M171C165-S169 WeakPolarHBondContact O-CA 3.46Å; C165-S169 PolarHBondContact O-N 3.47Å; S169-M171 PolarHBondContact O-N 3.1Å
170K93.6Very high93.8Very high100 Ų10061.9 Ų61.944%0.43536%0.358SS..  trans-59.4121.8174.8-174.9-164.3167-162.80109.2T164 C165 C168 D176T164-K170 CarbonylContact C-O 3.6Å; T164-K170 WeakPolarHBondContact CA-O 3.15Å; C165-K170 PolarHBondContact N-O 3.27Å; C168-K170 PolarHBondContact O-N 3.23Å; K170-D176 IonicContact NZ-OD1 3.58Å; K170-D176 PolarHBondContact NZ-OD1 3.11Å
171M94.3Very high93.8Very high94 Ų9461.8 Ų61.846%0.46336%0.355SS..BIsolated β-bridgetrans-66.5131.7169.4-170.417266.800110.1T164 S169T164-M171 HydrophobicContact CG2-CB 4.01Å; T164-M171 HydrophobicContact CG2-CG 4.4Å; S169-M171 PolarHBondContact O-N 3.1Å
172L93.5Very high93.5Very high5 Ų561 Ų613%0.02635%0.35CS..  trans-104.5138.8-177.9-63.4162.5000108.9F163 D176 F178 V185 C187F163-L172 HydrophobicContact CD1-CB 3.75Å; F163-L172 HydrophobicContact CE1-CB 3.89Å; F163-L172 HydrophobicContact CE1-CD1 4.42Å; F163-L172 PolarHBondContact O-N 2.93Å; L172-D176 HydrophobicContact CB-CB 4.42Å; L172-D176 HydrophobicContact CD2-CB 3.94Å; L172-F178 HydrophobicContact CD1-CB 3.8Å; L172-V185 HydrophobicContact CD1-CG1 3.64Å; L172-C187 HydrophobicContact CD2-CB 3.87Å
173T93.4Very high93.1Very high78 Ų7863.3 Ų63.348%0.47937%0.367SS..  trans-125.5166.1-173.960.50000111.3G175 D176T173-G175 PolarHBondContact O-N 3.38Å; T173-D176 PolarHBondContact N-OD2 3.48Å; T173-D176 WeakPolarHBondContact O-CB 3.19Å; T173-D176 PolarHBondContact O-N 2.79Å; T173-D176 PolarHBondContact OG1-OD2 3.12Å
174T91.2Very high92.9Very high131 Ų13166.6 Ų66.680%0.80438%0.384SS*.THydrogen-bonded Turntrans-56.6113.3178.9-48.60000111.1
175G91.1Very high92.8Very high69 Ų6965.7 Ų65.771%0.71138%0.379SS*.THydrogen-bonded Turntrans110.4-17.4-174.400000114.6T173T173-G175 PolarHBondContact O-N 3.38Å
176D93.3Very high92.8Very high49 Ų4967 Ų6726%0.26238%0.384SS..  trans-69.9139.5168.4-77.4-70.5000110.5K170 L172 T173K170-D176 IonicContact NZ-OD1 3.58Å; K170-D176 PolarHBondContact NZ-OD1 3.11Å; L172-D176 HydrophobicContact CB-CB 4.42Å; L172-D176 HydrophobicContact CD2-CB 3.94Å; T173-D176 PolarHBondContact N-OD2 3.48Å; T173-D176 WeakPolarHBondContact O-CB 3.19Å; T173-D176 PolarHBondContact O-N 2.79Å; T173-D176 PolarHBondContact OG1-OD2 3.12Å
177H93.4Very high92.9Very high135 Ų13565.2 Ų65.263%0.62537%0.373SS*.  trans-85.1130.3172.3-65.554.7000109.7R188H177-R188 HydrophobicContact CB-CB 4.07Å; H177-R188 PolarHBondContact O-N 3.06Å
178F94.8Very high92.8Very high90 Ų9068.3 Ų68.340%0.39538%0.375SS..EExtended strand (participates in β ladder)trans-138.2161.8-17977-88.5000110.6A153 F163 L172 V185 Y186A153-F178 HydrophobicContact CB-CE2 4.09Å; A153-F178 HydrophobicContact CB-CZ 4.04Å; F163-F178 HydrophobicContact CE1-CD1 4.25Å; F163-F178 HydrophobicContact CE1-CE1 4.31Å; F163-F178 HydrophobicContact CE1-CG 4.43Å; F163-F178 HydrophobicContact CZ-CD1 4.2Å; F163-F178 HydrophobicContact CZ-CD2 4.01Å; F163-F178 AromaticContact CZ-CE1 4Å; F163-F178 HydrophobicContact CZ-CE1 4Å; F163-F178 AromaticContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CG 4.21Å; F163-F178 AromaticContact CZ-CZ 3.81Å; F163-F178 HydrophobicContact CZ-CZ 3.81Å; L172-F178 HydrophobicContact CD1-CB 3.8Å; F178-V185 HydrophobicContact CD2-CG1 4.06Å; F178-Y186 CarbonylContact C-O 3.54Å; F178-Y186 VanDerWaalsContact CA-O 3.25Å; F178-Y186 WeakPolarHBondContact CA-O 3.49Å; F178-Y186 VanDerWaalsContact CB-O 3.31Å; F178-Y186 WeakPolarHBondContact CB-O 3.33Å
179G92.9Very high92.8Very high6 Ų671 Ų716%0.06239%0.385CS..EExtended strand (participates in β ladder)trans-127.3165168.300000111.1Y186G179-Y186 PolarHBondContact N-O 3.46Å; G179-Y186 PolarHBondContact O-N 2.76Å
180M93.4Very high92.9Very high14 Ų1469.3 Ų69.37%0.06937%0.368CS..EExtended strand (participates in β ladder)trans-140.2124.6-177.4179.7-174.6-85.300110.6A153 R154 Y158 L184 V185A153-M180 HydrophobicContact CB-CE 3.51Å; R154-M180 HydrophobicContact CG-SD 4.15Å; R154-M180 PolarHBondContact NH2-O 3.39Å; Y158-M180 HydrophobicContact CE2-CE 4.09Å; Y158-M180 WeakPolarHBondContact OH-CE 3.45Å; M180-L184 VanDerWaalsContact CA-O 3.28Å; M180-L184 WeakPolarHBondContact CA-O 3.44Å; M180-L184 WeakPolarHBondContact CG-O 3.2Å; M180-V185 HydrophobicContact CE-CG2 3.81Å
181K91.3Very high92.9Very high68 Ų6867.2 Ų67.230%0.29636%0.359SS..EExtended strand (participates in β ladder)trans-129.6137173.9-159.7-159.3172.6-159.30107.9S183 L184 Y186 F191 L194 E198K181-S183 PolarHBondContact O-N 3.1Å; K181-S183 VanDerWaalsContact O-N 3.12Å; K181-L184 PolarHBondContact N-O 3.17Å; K181-L184 VanDerWaalsContact N-O 3.14Å; K181-L184 WeakPolarHBondContact O-CA 3.28Å; K181-L184 WeakPolarHBondContact O-CB 3.31Å; K181-L184 PolarHBondContact O-N 3.41Å; K181-Y186 HydrophobicContact CB-CE2 4.3Å; K181-F191 HydrophobicContact CB-CE2 4.37Å; K181-L194 HydrophobicContact CB-CD2 4.3Å; K181-L194 HydrophobicContact CD-CD2 4Å; K181-E198 WeakPolarHBondContact CE-OE1 3.2Å; K181-E198 IonicContact NZ-OE1 3.74Å; K181-E198 PolarHBondContact NZ-OE1 2.88Å; K181-E198 IonicContact NZ-OE2 3.21Å
182D87.7Confident92.8Very high115 Ų11566.9 Ų66.962%0.61536%0.356SS*.THydrogen-bonded Turntrans50.342174.3-46.6-37.3000113.8L184D182-L184 PolarHBondContact O-N 3.23Å
183S86.6Confident92.7Very high72 Ų7270.5 Ų70.550%0.50338%0.379SS..THydrogen-bonded Turntrans64.11.3-175-55.70000116.2L156 Y158 K181L156-S183 VanDerWaalsContact CD1-CB 3.5Å; Y158-S183 PolarHBondContact OH-O 3.46Å; K181-S183 PolarHBondContact O-N 3.1Å; K181-S183 VanDerWaalsContact O-N 3.12Å
184L91.7Very high92.5Very high75 Ų7569.4 Ų69.439%0.39337%0.37SS..EExtended strand (participates in β ladder)trans-91.5138176-61.3175.8000111.1M180 K181 D182 Y186M180-L184 VanDerWaalsContact CA-O 3.28Å; M180-L184 WeakPolarHBondContact CA-O 3.44Å; M180-L184 WeakPolarHBondContact CG-O 3.2Å; K181-L184 PolarHBondContact N-O 3.17Å; K181-L184 VanDerWaalsContact N-O 3.14Å; K181-L184 WeakPolarHBondContact O-CA 3.28Å; K181-L184 WeakPolarHBondContact O-CB 3.31Å; K181-L184 PolarHBondContact O-N 3.41Å; D182-L184 PolarHBondContact O-N 3.23Å; L184-Y186 HydrophobicContact CB-CE2 3.62Å; L184-Y186 WeakPolarHBondContact CD1-OH 3.49Å; L184-Y186 WeakPolarHBondContact O-CD2 3.22Å; L184-Y186 WeakPolarHBondContact O-CE2 3.15Å
185V94.3Very high92.3Very high2 Ų267.1 Ų67.11%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-97.1134.1-178-179.10000110.1Y158 F163 C165 T166 L172 F178 M180Y158-V185 HydrophobicContact CE1-CG2 4.29Å; Y158-V185 HydrophobicContact CE2-CG2 4.47Å; F163-V185 HydrophobicContact CD2-CG1 4.48Å; F163-V185 HydrophobicContact CD2-CG2 4.18Å; F163-V185 HydrophobicContact CE1-CG1 4.36Å; F163-V185 HydrophobicContact CE2-CB 4.48Å; F163-V185 HydrophobicContact CE2-CG1 3.97Å; F163-V185 HydrophobicContact CE2-CG2 3.71Å; F163-V185 HydrophobicContact CZ-CG1 3.9Å; F163-V185 HydrophobicContact CZ-CG2 4.39Å; C165-V185 CarbonylContact C-O 3.53Å; C165-V185 WeakPolarHBondContact CA-O 3.42Å; T166-V185 PolarHBondContact N-O 3.5Å; T166-V185 PolarHBondContact OG1-O 3.05Å; L172-V185 HydrophobicContact CD1-CG1 3.64Å; F178-V185 HydrophobicContact CD2-CG1 4.06Å; M180-V185 HydrophobicContact CE-CG2 3.81Å
186Y94.9Very high91.8Very high26 Ų2669.4 Ų69.410%0.10234%0.344CS..EExtended strand (participates in β ladder)trans-128.7140.6179-61.3-91.5000110.3T167 F178 G179 K181 L184 H190 F191 L194T167-Y186 WeakPolarHBondContact OG1-CD1 3.5Å; F178-Y186 CarbonylContact C-O 3.54Å; F178-Y186 VanDerWaalsContact CA-O 3.25Å; F178-Y186 WeakPolarHBondContact CA-O 3.49Å; F178-Y186 VanDerWaalsContact CB-O 3.31Å; F178-Y186 WeakPolarHBondContact CB-O 3.33Å; G179-Y186 PolarHBondContact N-O 3.46Å; G179-Y186 PolarHBondContact O-N 2.76Å; K181-Y186 HydrophobicContact CB-CE2 4.3Å; L184-Y186 HydrophobicContact CB-CE2 3.62Å; L184-Y186 WeakPolarHBondContact CD1-OH 3.49Å; L184-Y186 WeakPolarHBondContact O-CD2 3.22Å; L184-Y186 WeakPolarHBondContact O-CE2 3.15Å; Y186-H190 HydrophobicContact CD1-CB 4.47Å; Y186-F191 HydrophobicContact CD2-CD2 4.27Å; Y186-F191 HydrophobicContact CG-CD2 4.48Å; Y186-L194 HydrophobicContact CD2-CD2 4.36Å; Y186-L194 HydrophobicContact CE1-CD2 4.24Å; Y186-L194 HydrophobicContact CE2-CD2 3.98Å
187C95.4Very high90.4Very high13 Ų1369.3 Ų69.39%0.08836%0.355CS..EExtended strand (participates in β ladder)trans-68.1156.116871.50000109.6C165 L172 L189 H190 F191C165-C187 HydrophobicContact CB-CB 4.07Å; C165-C187 PolarHBondContact SG-N 3.27Å; L172-C187 HydrophobicContact CD2-CB 3.87Å; C187-L189 PolarHBondContact O-N 3.04Å; C187-L189 VanDerWaalsContact O-N 3.08Å; C187-H190 PolarHBondContact O-N 3.47Å; C187-H190 VanDerWaalsContact O-N 3.11Å; C187-H190 PolarHBondContact SG-ND1 3.01Å; C187-F191 PolarHBondContact O-N 3.46Å
188R93.9Very high88.6Confident152 Ų15268 Ų6857%0.57435%0.349SS*.Hα-helixtrans-40.9-50.5-179.4176.8178.1170.1170.7-0.3113.8H177 F191 E192H177-R188 HydrophobicContact CB-CB 4.07Å; H177-R188 PolarHBondContact O-N 3.06Å; R188-F191 PolarHBondContact O-N 3.5Å; R188-E192 IonicContact NE-OE2 3.81Å; R188-E192 VanDerWaalsContact O-CB 3.28Å; R188-E192 WeakPolarHBondContact O-CB 3.36Å; R188-E192 PolarHBondContact O-N 3.39Å
189L94.7Very high86.6Confident114 Ų11473.6 Ų73.660%0.59737%0.369SS*.Hα-helixtrans-58.4-53.7-177.4-176.765.5000112.3C187 F191 E192 T193C187-L189 PolarHBondContact O-N 3.04Å; C187-L189 VanDerWaalsContact O-N 3.08Å; L189-F191 VanDerWaalsContact C-N 3.33Å; L189-F191 PolarHBondContact O-N 3.49Å; L189-E192 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-N 2.86Å; L189-T193 PolarHBondContact O-OG1 3.29Å
190H95.1Very high84.6Confident48 Ų4881.4 Ų81.422%0.22240%0.404CS..Hα-helixtrans-73-26.1-178.1-61126.3000113.2T167 C168 Y186 C187 L194T167-H190 HydrophobicContact CG2-CB 4.3Å; C168-H190 VanDerWaalsContact CB-CE1 3.4Å; C168-H190 WeakPolarHBondContact CB-CE1 3.38Å; C168-H190 PolarHBondContact SG-CE1 3.48Å; C168-H190 PolarHBondContact SG-ND1 3.39Å; Y186-H190 HydrophobicContact CD1-CB 4.47Å; C187-H190 PolarHBondContact O-N 3.47Å; C187-H190 VanDerWaalsContact O-N 3.11Å; C187-H190 PolarHBondContact SG-ND1 3.01Å; H190-L194 VanDerWaalsContact O-CB 3.3Å; H190-L194 WeakPolarHBondContact O-CB 3.29Å; H190-L194 PolarHBondContact O-N 3.01Å
191F94.4Very high82.4Confident56 Ų5685.5 Ų85.525%0.24643%0.43CS..Hα-helixtrans-68.9-41.6172.3-169.4-115000111.7K181 Y186 C187 R188 L189 L194 I195K181-F191 HydrophobicContact CB-CE2 4.37Å; Y186-F191 HydrophobicContact CD2-CD2 4.27Å; Y186-F191 HydrophobicContact CG-CD2 4.48Å; C187-F191 PolarHBondContact O-N 3.46Å; R188-F191 PolarHBondContact O-N 3.5Å; L189-F191 VanDerWaalsContact C-N 3.33Å; L189-F191 PolarHBondContact O-N 3.49Å; F191-L194 PolarHBondContact O-N 3.31Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CE1-CD1 3.43Å; F191-I195 VanDerWaalsContact CE1-CD1 3.43Å; F191-I195 HydrophobicContact CE2-CD1 4.35Å; F191-I195 HydrophobicContact CG-CD1 4.44Å; F191-I195 HydrophobicContact CZ-CD1 3.73Å; F191-I195 WeakPolarHBondContact O-CG1 3.33Å; F191-I195 PolarHBondContact O-N 3.01Å; F191-I195 VanDerWaalsContact O-N 3.07Å
192E92.4Very high80.5Confident87 Ų8790 Ų9041%0.40745%0.452SS..Hα-helixtrans-64.6-43.3176.3-173.4165.1-178.100111.2R188 L189 L194 I195 Q196R188-E192 IonicContact NE-OE2 3.81Å; R188-E192 VanDerWaalsContact O-CB 3.28Å; R188-E192 WeakPolarHBondContact O-CB 3.36Å; R188-E192 PolarHBondContact O-N 3.39Å; L189-E192 PolarHBondContact O-N 3.34Å; E192-L194 PolarHBondContact O-N 2.78Å; E192-I195 PolarHBondContact O-N 3.38Å; E192-Q196 WeakPolarHBondContact O-CB 3.41Å; E192-Q196 VanDerWaalsContact O-CG 3.26Å; E192-Q196 WeakPolarHBondContact O-CG 3.41Å; E192-Q196 PolarHBondContact O-N 3.3Å
193T91.8Very high78.3Confident80 Ų8094.6 Ų94.649%0.49147%0.466SS..Hα-helixtrans-61.7-40.4171.6-49.50000112.8L189 Q196 G197L189-T193 PolarHBondContact O-N 2.86Å; L189-T193 PolarHBondContact O-OG1 3.29Å; T193-Q196 PolarHBondContact O-N 3.3Å; T193-G197 PolarHBondContact O-N 2.88Å; T193-G197 VanDerWaalsContact O-N 3.12Å
194L88.5Confident76.1Confident55 Ų5599.3 Ų99.329%0.28849%0.486SS..Hα-helixtrans-63.2-44.1179.7-174.168000111.6K181 Y186 H190 F191 E192 G197K181-L194 HydrophobicContact CB-CD2 4.3Å; K181-L194 HydrophobicContact CD-CD2 4Å; Y186-L194 HydrophobicContact CD2-CD2 4.36Å; Y186-L194 HydrophobicContact CE1-CD2 4.24Å; Y186-L194 HydrophobicContact CE2-CD2 3.98Å; H190-L194 VanDerWaalsContact O-CB 3.3Å; H190-L194 WeakPolarHBondContact O-CB 3.29Å; H190-L194 PolarHBondContact O-N 3.01Å; F191-L194 PolarHBondContact O-N 3.31Å; E192-L194 PolarHBondContact O-N 2.78Å; L194-G197 PolarHBondContact O-N 2.89Å
195I87Confident74Confident84 Ų84104.5 Ų104.543%0.43151%0.508SS..Hα-helixtrans-68.1-39.4177.6-67170.1000111.4F191 E192 G197 E198F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CE1-CD1 3.43Å; F191-I195 VanDerWaalsContact CE1-CD1 3.43Å; F191-I195 HydrophobicContact CE2-CD1 4.35Å; F191-I195 HydrophobicContact CG-CD1 4.44Å; F191-I195 HydrophobicContact CZ-CD1 3.73Å; F191-I195 WeakPolarHBondContact O-CG1 3.33Å; F191-I195 PolarHBondContact O-N 3.01Å; F191-I195 VanDerWaalsContact O-N 3.07Å; E192-I195 PolarHBondContact O-N 3.38Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.27Å; I195-E198 PolarHBondContact O-N 3.26Å
196Q80.2Confident71.5Confident116 Ų116108.2 Ų108.254%0.54254%0.538SS..Hα-helixtrans-63-34.4177.9-74.1170.67.500112.4E192 T193 E198 Y199E192-Q196 WeakPolarHBondContact O-CB 3.41Å; E192-Q196 VanDerWaalsContact O-CG 3.26Å; E192-Q196 WeakPolarHBondContact O-CG 3.41Å; E192-Q196 PolarHBondContact O-N 3.3Å; T193-Q196 PolarHBondContact O-N 3.3Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.81Å; Q196-Y199 PolarHBondContact O-N 3.25Å
197G64.3Low69Low48 Ų48114.1 Ų114.150%0.49557%0.572SS.*Hα-helixtrans-66.2-29.8175.300000114.3T193 L194 I195 Y199T193-G197 PolarHBondContact O-N 2.88Å; T193-G197 VanDerWaalsContact O-N 3.12Å; L194-G197 PolarHBondContact O-N 2.89Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.27Å; G197-Y199 VanDerWaalsContact C-N 3.34Å
198E56.4Low66.6Low106 Ų106120.7 Ų120.750%0.49561%0.611SS.*Hα-helixtrans-79.3-16.3179.7-69-179.5174.900113.2K181 I195 Q196K181-E198 WeakPolarHBondContact CE-OE1 3.2Å; K181-E198 IonicContact NZ-OE1 3.74Å; K181-E198 PolarHBondContact NZ-OE1 2.88Å; K181-E198 IonicContact NZ-OE2 3.21Å; I195-E198 PolarHBondContact O-N 3.26Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.81Å
199Y52.4Low64Low209 Ų209119.8 Ų119.882%0.8262%0.622SS**THydrogen-bonded Turntrans-92.9-1.2-179.1-137.2-92.4000114.3Q196 G197Q196-Y199 PolarHBondContact O-N 3.25Å; G197-Y199 VanDerWaalsContact C-N 3.34Å
200Q49.7Very low61.5Low170 Ų170118.3 Ų118.379%0.79463%0.627SS**  trans-99.315.2-172.1-98.3-169.2-14.600115.8
201T47.3Very low59Low100 Ų100125.2 Ų125.261%0.61366%0.659SS**SBendtrans-89.8-9.5-174.247.90000116.4
202H50.9Low56.4Low163 Ų163132.9 Ų132.976%0.75569%0.692SS**SBendtrans-137.333.3-171.5-73.9-69.4000117.6
203F42Very low53.6Low210 Ų210132.6 Ų132.692%0.92171%0.712SS**  trans-13180.4159.1-77.8-75.6000110.8
204N40.2Very low50.9Low172 Ų172137.7 Ų137.792%0.9274%0.736SS**  trans-79.6154.8172.5-118.6-34.4000111.3
205H48.3Very low48.2Very low183 Ų183138.6 Ų138.685%0.84776%0.758SS**  trans-119.5111.8-157.7168-60.1000112.3
206A42.8Very low46.4Very low80 Ų80140.5 Ų140.566%0.66178%0.775SS**  trans175.6137.4165.400000107
207D41.5Very low44.4Very low150 Ų150139.5 Ų139.580%0.80279%0.787SS**  cis-146.5138.98.5-65.9-73.1000110.1
208V44.6Very low43Very low152 Ų152145.4 Ų145.492%0.92181%0.807SS**  trans-151.2131.6140.1-176.40000108.8
209V39.1Very low42.4Very low132 Ų132144.3 Ų144.380%0.882%0.817SS**  trans-80.7152.4-177.5172.80000112.6
210A42.7Very low41.8Very low84 Ų84142.9 Ų142.969%0.69482%0.822SS**  trans-44.4145.5-177.400000118
211H42.8Very low41Very low193 Ų193137.6 Ų137.689%0.89481%0.814SS**  trans-136.5143.5146.2-90.7-84.1000111.6
212K38.7Very low40.5Very low217 Ų217140.8 Ų140.894%0.94383%0.826SS**  trans-70.2142.8177-66.7173.7174.6176.10111.1
213G33.8Very low39.8Very low80 Ų80137 Ų13783%0.82582%0.818SS**  trans-165138.817000000112.7
214L35.6Very low39.4Very low188 Ų188138.5 Ų138.598%0.98482%0.819SS**  trans-88.2156.5-177.7-64.1116.9000112.7
215G31.9Very low39Very low73 Ų73138.3 Ų138.375%0.75381%0.81SS**  trans112.6156.5145.300000116.8
216P49.1Very low38.5Very low124 Ų124137.4 Ų137.481%0.80581%0.812SS**  trans-116.6160.9-150.640.2-29.4000116.3
217A39.3Very low38.1Very low96 Ų96135.7 Ų135.779%0.79380%0.802SS**  trans24.9113.4149.900000120.1
218N33.6Very low37.7Very low171 Ų171136 Ų13691%0.91481%0.809SS**  -160.9160.7116-128.1-16.4000113.4
219A45.3Very low37.2Very low84 Ų84132 Ų13269%0.69480%0.798SS**  trans-97.8127.7-179.700000113
220L38.2Very low36.8Very low179 Ų179132.2 Ų132.294%0.93780%0.8SS**  trans-154142.8157-64.1177.6000105.5
221G32.9Very low36.5Very low59 Ų59135 Ų13561%0.60881%0.808SS**  cis143.3142.61.700000109.8
222L37.3Very low36.2Very low167 Ų167134 Ų13487%0.87480%0.803SS**  trans71.1150.9170.5-55.4114.1000115.8
223S36.8Very low36Very low83 Ų83133.6 Ų133.658%0.5880%0.802SS**  cis-164.9157.8-8.9-114.40000110.7
224Y32.8Very low35.8Very low242 Ų242133.2 Ų133.295%0.94980%0.798SS**  -160.9140.7119.3-102.3-70.1000109.8
225F32.3Very low35.8Very low168 Ų168135.9 Ų135.974%0.73780%0.795SS**  trans-136.8142.5-169.6175.3-85.3000110.3
226N36.9Very low36.3Very low164 Ų164138.3 Ų138.388%0.87780%0.797SS**  trans-170.3135152.7-103.5-7.8000108.7
227G34.9Very low35.8Very low44 Ų44144 Ų14445%0.45480%0.803SS.*  cis145.676.2-11.800000115.3
228V33.9Very low35.6Very low156 Ų156148.9 Ų148.995%0.94581%0.806SS**  trans178.4145.6154.9-91.90000107.7
229G32.8Very low35.8Very low67 Ų67152.4 Ų152.469%0.69181%0.807SS**  cis128.9124.6-7.900000112.5
230T32.1Very low35.4Very low137 Ų137157.4 Ų157.484%0.8481%0.813SS**  cis-156.9167.3-8.469.70000109.4
231V34.7Very low35.3Very low144 Ų144153.8 Ų153.887%0.87380%0.803SS**  trans-175.5144.9140.8142.20000111.8
232Q36.6Very low35.8Very low170 Ų170156.8 Ų156.879%0.79481%0.811SS**  trans-108.8146.5-173-76.7-86.4-4.200113.2
233K34.5Very low36Very low209 Ų209151.6 Ų151.691%0.90980%0.798SS**  165.1123.1121.8-90.8167.5-177.7177.30112.9
234G30Very low36.6Very low72 Ų72154.5 Ų154.574%0.74282%0.815SS**  trans-177.3100.7171.800000113.9
235R35.8Very low37.4Very low244 Ų244146.3 Ų146.392%0.92180%0.804SS**  trans-69.8122.8-172.3-178.2-176.7-174.1-1794.1113.3R237R235-R237 PolarHBondContact O-N 3.26Å
236P42.5Very low38.2Very low124 Ų124142.2 Ų142.281%0.80580%0.801SS**  trans-67.3126.7173.6-20.132.9000112.1K238P236-K238 PolarHBondContact O-N 3.41Å
237R39.4Very low38.4Very low243 Ų243142.7 Ų142.792%0.91780%0.798SS**  trans-83.3111.9177.3-153.9176.3-163.3176.85.4109.8R235 R239R235-R237 PolarHBondContact O-N 3.26Å; R237-R239 PolarHBondContact O-N 3.25Å
238K35Very low39Very low200 Ų200146.7 Ų146.787%0.8781%0.808SS**  trans-50.7105.6179.3-173.7172.4-175.7170.90111.6P236 K240P236-K238 PolarHBondContact O-N 3.41Å; K238-K240 PolarHBondContact O-N 3.13Å
239R36.3Very low39.9Very low244 Ų244143.1 Ų143.192%0.92180%0.795SS**PPolyproline II helixtrans-74.1119.6168.8-99.4-175.7163.3-140.8-3.6109R237R237-R239 PolarHBondContact O-N 3.25Å
240K36.9Very low40.6Very low190 Ų190143.1 Ų143.183%0.82679%0.789SS**PPolyproline II helixtrans-82.4123.6169.5-171.380.5161.6-179.20107.6K238K238-K240 PolarHBondContact O-N 3.13Å
241S36.4Very low41.4Very low103 Ų103142.8 Ų142.872%0.7277%0.773SS**PPolyproline II helixtrans-67132.1166.7300000109.7
242P43.2Very low42.2Very low122 Ų122140.3 Ų140.379%0.79276%0.755SS**PPolyproline II helixtrans-71.4135.4164.1-13.429.6000109.6
243G43.3Very low43.1Very low58 Ų58136.3 Ų136.360%0.59875%0.75SS**  trans-77.4177.5167.700000112.2
244P48.8Very low43.8Very low144 Ų144130.2 Ų130.294%0.93574%0.739SS**SBendtrans-67.5132.4177.729.9-33.9000110.2
245G49.3Very low44.5Very low69 Ų69133.2 Ų133.271%0.71174%0.738SS**  trans151.8-12.5-17800000115.4
246A48.3Very low45.2Very low82 Ų82126.9 Ų126.968%0.67873%0.73SS**SBendtrans-83.8-1.7-178.400000115.4
247E41Very low44.9Very low174 Ų174127 Ų12781%0.81373%0.733SS**SBendtrans-82.9-27.3-179.6-86.3-177.9115.700114.2A249 A250E247-A249 VanDerWaalsContact C-N 3.25Å; E247-A249 PolarHBondContact O-N 2.86Å; E247-A250 PolarHBondContact O-N 2.87Å; E247-A250 VanDerWaalsContact O-N 3.1Å
248L48.2Very low44.9Very low128 Ų128122.8 Ų122.867%0.6773%0.729SS**Hα-helixtrans-70.8-19.5-172.9-15968.6000113.7Y251L248-Y251 HydrophobicContact CD1-CD1 3.94Å; L248-Y251 HydrophobicContact CD1-CE1 3.61Å; L248-Y251 HydrophobicContact CG-CD1 4.45Å; L248-Y251 HydrophobicContact CG-CE1 4.15Å; L248-Y251 VanDerWaalsContact O-CD1 3.28Å; L248-Y251 WeakPolarHBondContact O-CD1 3.34Å
249A52.4Low44.9Very low82 Ų82122 Ų12268%0.67873%0.728SS**Hα-helixtrans-86.2-18.6174.400000113.4E247E247-A249 VanDerWaalsContact C-N 3.25Å; E247-A249 PolarHBondContact O-N 2.86Å
250A48.2Very low44.8Very low66 Ų66117 Ų11755%0.54572%0.719SS.*Hα-helixtrans-83.6-33.3-178.600000112.5E247 A253E247-A250 PolarHBondContact O-N 2.87Å; E247-A250 VanDerWaalsContact O-N 3.1Å; A250-A253 PolarHBondContact O-N 2.86Å
251Y48.1Very low44.8Very low131 Ų131115 Ų11551%0.51472%0.718SS.*Hα-helixtrans-69.8-37.7-177.5101.7-94.1000112.8L248 A253 A254L248-Y251 HydrophobicContact CD1-CD1 3.94Å; L248-Y251 HydrophobicContact CD1-CE1 3.61Å; L248-Y251 HydrophobicContact CG-CD1 4.45Å; L248-Y251 HydrophobicContact CG-CE1 4.15Å; L248-Y251 VanDerWaalsContact O-CD1 3.28Å; L248-Y251 WeakPolarHBondContact O-CD1 3.34Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 3.42Å; Y251-A254 PolarHBondContact O-N 3.34Å
252N53Low44.7Very low92 Ų92113.9 Ų113.949%0.49272%0.722SS.*G310 helixtrans-69.1-21.1177.4-79.4-57.4000113.6A254N252-A254 VanDerWaalsContact C-N 3.3Å; N252-A254 PolarHBondContact O-N 3.15Å
253A54.9Low44.5Very low85 Ų85117.2 Ų117.270%0.70273%0.727SS**G310 helixtrans-82-6.1178.200000113.8A250 Y251A250-A253 PolarHBondContact O-N 2.86Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 3.42Å
254A48.5Very low44.2Very low81 Ų81118.9 Ų118.967%0.66973%0.73SS**G310 helixtrans-94.8-3-179.300000114.1Y251 N252Y251-A254 PolarHBondContact O-N 3.34Å; N252-A254 VanDerWaalsContact C-N 3.3Å; N252-A254 PolarHBondContact O-N 3.15Å
255L45.7Very low44Very low136 Ų136119.2 Ų119.271%0.71272%0.722SS**SBendtrans-117.735.5-172.5-65.5176.1000113.6
256S49.9Very low43.4Very low110 Ų110122.3 Ų122.377%0.76972%0.722SS**  trans-139.461.6176.6-69.60000113.3
257C36.1Very low42.8Very low126 Ų126128.2 Ų128.285%0.85173%0.727SS**SBendtrans-16593.3147.7490000111.2
258N39.1Very low42.4Very low156 Ų156125.1 Ų125.183%0.83472%0.716SS**  163.2119.9120.1-159.369000109.2
259E35.3Very low41.7Very low183 Ų183123.4 Ų123.486%0.85572%0.715SS**  trans-84.5154.9170.6-73.5174.89400111
260N34.7Very low40.8Very low138 Ų138128 Ų12874%0.73872%0.722SS**  trans97.1112155.5-132.767.8000121
261D36.3Very low40.1Very low149 Ų149135.3 Ų135.380%0.79774%0.738SS**  trans57.6127.3151.7-71-43.7000123.4
262G34.1Very low39.3Very low79 Ų79134.7 Ų134.781%0.81475%0.752SS**  trans157.5111.8167.300000114
263E38.9Very low38.5Very low192 Ų192134.9 Ų134.990%0.89776%0.761SS**  trans-75.4159.9-173.9-167.9-168.989.300115.5
264S38Very low37.5Very low93 Ų93136.4 Ų136.465%0.6577%0.766SS**  trans99.294147-143.40000121.7
265I43.3Very low37.2Very low152 Ų152140.7 Ų140.778%0.77977%0.773SS**  50.2129.6120.5-71.6170000123.2
266D37.5Very low37.2Very low133 Ų133144 Ų14471%0.71178%0.781SS**  trans82.8114.8151.6-96.7-57.2000125.7
267R36Very low37.1Very low206 Ų206145 Ų14578%0.77778%0.783SS**  73.4126.5127-100.9-178.5110.6166.66.3127.6
268D31.4Very low37.9Very low110 Ų110148.5 Ų148.559%0.58878%0.784SS**  trans86.1135.9132.6-121.4-59.9000122.4
269S34Very low38.4Very low91 Ų91152.5 Ų152.564%0.63679%0.787SS**  trans31.6126.3159.8-650000122.7
270Q32.9Very low39.3Very low179 Ų179152.2 Ų152.284%0.83679%0.788SS**  -179.9142.699.8-159.373.2-400112.2
271Y35.1Very low41.2Very low220 Ų220156.8 Ų156.886%0.86380%0.795SS**  trans-60.8133.4173.9-176.5-91.7000113.6
272S30.9Very low43Very low118 Ų118155.5 Ų155.583%0.82579%0.793SS**  trans-149.7145.5165.8-163.70000114.5
273S35.4Very low45.5Very low95 Ų95157.3 Ų157.366%0.66479%0.792SS**  trans-75.1129.4-166.3177.90000113.9Q275S273-Q275 PolarHBondContact O-N 3.01Å
274S33.9Very low48.1Very low118 Ų118151 Ų15183%0.82576%0.762SS**  trans-77.984.2-179.8-161.50000112.6K276S274-K276 PolarHBondContact O-N 3.28Å
275Q42.8Very low50.7Low171 Ų171154.4 Ų154.480%0.79977%0.765SS**  trans-74.7118.2163.9-66.8-167.28.900110.1S273 T277S273-Q275 PolarHBondContact O-N 3.01Å; Q275-T277 PolarHBondContact O-N 3.36Å
276K45.7Very low53.2Low205 Ų205153.7 Ų153.789%0.89176%0.758SS**  trans-64.1107.1177.4-75.5178.9178171.80110.9S274 K278S274-K276 PolarHBondContact O-N 3.28Å; K276-K278 PolarHBondContact O-N 3.44Å
277T47.4Very low55.9Low132 Ų132152.6 Ų152.681%0.8175%0.749SS**  trans-64.6115.8-179.748.50000111.5Q275 R279Q275-T277 PolarHBondContact O-N 3.36Å; T277-R279 PolarHBondContact O-N 3.16Å; T277-R279 VanDerWaalsContact O-N 3.1Å
278K52.3Low58.7Low198 Ų198144.2 Ų144.286%0.86172%0.718SS**  trans-69106.1173.8-175.4177.6-177.41780108.5K276 M280K276-K278 PolarHBondContact O-N 3.44Å; K278-M280 PolarHBondContact O-N 2.85Å
279R51.1Low61.8Low241 Ų241141.3 Ų141.391%0.90970%0.703SS**PPolyproline II helixtrans-49116.3-179.7-80.2-170.2-94.6-158.5-6.5110.9T277 R281T277-R279 PolarHBondContact O-N 3.16Å; T277-R279 VanDerWaalsContact O-N 3.1Å; R279-R281 PolarHBondContact O-N 2.77Å
280M52.9Low64.7Low176 Ų176144.6 Ų144.687%0.86770%0.701SS**PPolyproline II helixtrans-57.7134.6176.7-71.1-101.579.700109.7K278 T282K278-M280 PolarHBondContact O-N 2.85Å; M280-T282 PolarHBondContact O-N 3.37Å
281R74.9Confident67.7Low234 Ų234137.4 Ų137.488%0.88367%0.67SS**PPolyproline II helixtrans-75.5125.6173.6-167-177.8-166.5-175.36.6108.7R279 S283R279-R281 PolarHBondContact O-N 2.77Å; R281-S283 PolarHBondContact O-N 3.12Å
282T74.9Confident70.7Confident123 Ų123127 Ų12776%0.75563%0.629SS**PPolyproline II helixtrans-60.9130.4172.147.10000110.3M280M280-T282 PolarHBondContact O-N 3.37Å
283S86Confident73.8Confident116 Ų116127.6 Ų127.681%0.81162%0.617SS**  trans-104.8144.4178.4-167.60000110.6R281R281-S283 PolarHBondContact O-N 3.12Å
284F93.9Very high76.7Confident60 Ų60126.6 Ų126.626%0.26361%0.61SS.*  trans-86.2138.9177.2-62.5-67.3000110.5L289 M292 L316 V320 W324F284-L289 HydrophobicContact CB-CD1 4.23Å; F284-L289 HydrophobicContact CB-CD2 3.8Å; F284-L289 HydrophobicContact CB-CG 3.72Å; F284-L289 HydrophobicContact CD2-CD2 4.04Å; F284-L289 HydrophobicContact CG-CD2 4.21Å; F284-M292 HydrophobicContact CD1-CE 4.27Å; F284-M292 HydrophobicContact CG-CE 4.23Å; F284-L316 HydrophobicContact CD1-CD1 3.74Å; F284-L316 HydrophobicContact CD1-CD2 4.07Å; F284-L316 HydrophobicContact CE1-CD1 3.8Å; F284-L316 HydrophobicContact CE1-CD2 4.11Å; F284-V320 HydrophobicContact CE1-CG1 3.5Å; F284-V320 VanDerWaalsContact CE1-CG1 3.5Å; F284-V320 HydrophobicContact CZ-CG1 3.82Å; F284-W324 AromaticContact CE2-CD1 3.74Å
285K92.7Very high79.6Confident164 Ų164123.5 Ų123.571%0.71358%0.58SS**  trans-65.4149.3172.1-67.1-174.4176.9-177.20110.2H287 Q288 L289K285-H287 VanDerWaalsContact C-N 3.3Å; K285-H287 PolarHBondContact O-N 3.36Å; K285-Q288 HydrophobicContact CB-CG 4.23Å; K285-Q288 WeakPolarHBondContact O-CB 3.35Å; K285-Q288 PolarHBondContact O-N 3Å; K285-L289 PolarHBondContact O-N 3.26Å; K285-L289 VanDerWaalsContact O-N 3.16Å
286H94.7Very high82.1Confident137 Ų137116.7 Ų116.763%0.63455%0.548SS*.Hα-helixtrans-53.7-42.7-176.9-172.155.2000113.6Q288 L289 R290H286-Q288 PolarHBondContact O-N 3.37Å; H286-L289 PolarHBondContact O-N 3.36Å; H286-R290 PolarHBondContact O-N 3.07Å
287H95.1Very high84.4Confident110 Ų110110.9 Ų110.951%0.50954%0.538SS..Hα-helixtrans-57.6-45.4174.9175.882000112.4K285 L289 R290 T291K285-H287 VanDerWaalsContact C-N 3.3Å; K285-H287 PolarHBondContact O-N 3.36Å; H287-L289 VanDerWaalsContact C-N 3.34Å; H287-L289 PolarHBondContact O-N 3.43Å; H287-R290 PolarHBondContact O-N 2.77Å; H287-T291 PolarHBondContact O-N 3.12Å; H287-T291 PolarHBondContact O-OG1 2.94Å; H287-T291 VanDerWaalsContact O-OG1 3.14Å
288Q94.8Very high86.5Confident30 Ų30111.3 Ų111.314%0.1453%0.534CS..Hα-helixtrans-61.5-43.9179.4-59.5172.2-37.900110.9K285 H286 T291 M292 T314 L316K285-Q288 HydrophobicContact CB-CG 4.23Å; K285-Q288 WeakPolarHBondContact O-CB 3.35Å; K285-Q288 PolarHBondContact O-N 3Å; H286-Q288 PolarHBondContact O-N 3.37Å; Q288-T291 PolarHBondContact O-N 2.77Å; Q288-M292 HydrophobicContact CB-CE 4.33Å; Q288-M292 WeakPolarHBondContact O-CB 3.46Å; Q288-M292 WeakPolarHBondContact O-CE 3.4Å; Q288-M292 WeakPolarHBondContact O-CG 3.46Å; Q288-M292 PolarHBondContact O-N 2.94Å; Q288-T314 WeakPolarHBondContact CG-O 3.38Å; Q288-T314 PolarHBondContact NE2-O 3.25Å; Q288-L316 HydrophobicContact CB-CD1 4.16Å; Q288-L316 HydrophobicContact CG-CD1 4.45Å
289L96.2Very high88.4Confident49 Ų49104.3 Ų104.326%0.25751%0.506SS..Hα-helixtrans-63.7-40.6176.2-69.9172.6000112.5F284 K285 H286 H287 M292 K293F284-L289 HydrophobicContact CB-CD1 4.23Å; F284-L289 HydrophobicContact CB-CD2 3.8Å; F284-L289 HydrophobicContact CB-CG 3.72Å; F284-L289 HydrophobicContact CD2-CD2 4.04Å; F284-L289 HydrophobicContact CG-CD2 4.21Å; K285-L289 PolarHBondContact O-N 3.26Å; K285-L289 VanDerWaalsContact O-N 3.16Å; H286-L289 PolarHBondContact O-N 3.36Å; H287-L289 VanDerWaalsContact C-N 3.34Å; H287-L289 PolarHBondContact O-N 3.43Å; L289-M292 HydrophobicContact CD2-CE 4.03Å; L289-K293 VanDerWaalsContact O-CB 3.29Å; L289-K293 WeakPolarHBondContact O-CB 3.37Å; L289-K293 VanDerWaalsContact O-CG 3.24Å; L289-K293 WeakPolarHBondContact O-CG 3.36Å; L289-K293 PolarHBondContact O-N 3.2Å
290R96.1Very high90.4Very high160 Ų16096 Ų9660%0.60448%0.477SS*.Hα-helixtrans-61.7-49.2176.6-174.5-177.1-73.5167.8-6.6110.9H286 H287 K293 S294H286-R290 PolarHBondContact O-N 3.07Å; H287-R290 PolarHBondContact O-N 2.77Å; R290-K293 PolarHBondContact O-N 2.86Å; R290-S294 VanDerWaalsContact O-CB 3.31Å; R290-S294 WeakPolarHBondContact O-CB 3.38Å; R290-S294 PolarHBondContact O-N 3.18Å
291T95.3Very high92.3Very high29 Ų2992.6 Ų92.618%0.17846%0.463CS..Hα-helixtrans-62-46.2179.3-57.70000112H287 Q288 Y295 L310 K313 T314H287-T291 PolarHBondContact O-N 3.12Å; H287-T291 PolarHBondContact O-OG1 2.94Å; H287-T291 VanDerWaalsContact O-OG1 3.14Å; Q288-T291 PolarHBondContact O-N 2.77Å; T291-Y295 PolarHBondContact O-N 2.91Å; T291-Y295 VanDerWaalsContact O-N 3.13Å; T291-L310 HydrophobicContact CG2-CD2 4.13Å; T291-K313 HydrophobicContact CG2-CB 4.38Å; T291-T314 HydrophobicContact CG2-CG2 3.88Å
292M97.1Very high93.1Very high0 Ų082.3 Ų82.30%043%0.426CS..Hα-helixtrans-65.3-42.1177.9-70.3-174.5-69.700112.9F284 Q288 L289 F296 T314 L316 L321 W324F284-M292 HydrophobicContact CD1-CE 4.27Å; F284-M292 HydrophobicContact CG-CE 4.23Å; Q288-M292 HydrophobicContact CB-CE 4.33Å; Q288-M292 WeakPolarHBondContact O-CB 3.46Å; Q288-M292 WeakPolarHBondContact O-CE 3.4Å; Q288-M292 WeakPolarHBondContact O-CG 3.46Å; Q288-M292 PolarHBondContact O-N 2.94Å; L289-M292 HydrophobicContact CD2-CE 4.03Å; M292-F296 WeakPolarHBondContact O-CB 3.37Å; M292-F296 PolarHBondContact O-N 2.84Å; M292-T314 HydrophobicContact CG-CG2 4.42Å; M292-L316 HydrophobicContact CE-CD1 3.94Å; M292-L316 HydrophobicContact SD-CD1 3.96Å; M292-L321 HydrophobicContact CG-CD2 3.88Å; M292-L321 HydrophobicContact SD-CD2 3.43Å; M292-L321 WeakPolarHBondContact SD-CD2 3.24Å; M292-W324 HydrophobicContact CB-CD2 4.14Å; M292-W324 HydrophobicContact CB-CE3 3.98Å; M292-W324 HydrophobicContact CB-CH2 3.72Å; M292-W324 HydrophobicContact CB-CZ2 3.84Å; M292-W324 HydrophobicContact CB-CZ3 3.78Å; M292-W324 HydrophobicContact CE-CD2 4.21Å; M292-W324 HydrophobicContact CE-CG 4.11Å; M292-W324 HydrophobicContact CG-CD2 4.48Å; M292-W324 HydrophobicContact CG-CE3 4.48Å; M292-W324 HydrophobicContact SD-CB 4.13Å; M292-W324 HydrophobicContact SD-CD2 3.65Å; M292-W324 HydrophobicContact SD-CE3 4.11Å; M292-W324 HydrophobicContact SD-CG 3.63Å
293K95.9Very high94.1Very high132 Ų13280.4 Ų80.457%0.57441%0.411SS*.Hα-helixtrans-66.7-41.2177.2-75176.8178-176.90112.6L289 R290 Y295 F296 A297 W324L289-K293 VanDerWaalsContact O-CB 3.29Å; L289-K293 WeakPolarHBondContact O-CB 3.37Å; L289-K293 VanDerWaalsContact O-CG 3.24Å; L289-K293 WeakPolarHBondContact O-CG 3.36Å; L289-K293 PolarHBondContact O-N 3.2Å; R290-K293 PolarHBondContact O-N 2.86Å; K293-Y295 VanDerWaalsContact C-N 3.34Å; K293-F296 PolarHBondContact O-N 3.45Å; K293-A297 PolarHBondContact O-N 3.39Å; K293-W324 HydrophobicContact CG-CH2 4.14Å; K293-W324 HydrophobicContact CG-CZ2 4.08Å
294S96.1Very high94.4Very high74 Ų7477.9 Ų77.952%0.51740%0.397SS..Hα-helixtrans-60.6-44.6177.2-173.80000111.1R290 A297R290-S294 VanDerWaalsContact O-CB 3.31Å; R290-S294 WeakPolarHBondContact O-CB 3.38Å; R290-S294 PolarHBondContact O-N 3.18Å; S294-A297 PolarHBondContact O-N 3.42Å
295Y95.6Very high94.5Very high52 Ų5282 Ų8220%0.20442%0.415CS..Hα-helixtrans-65.5-41.5174.3-167.2-83.2000112.3T291 K293 A297 I298 N299 P302 D306 L310 F325T291-Y295 PolarHBondContact O-N 2.91Å; T291-Y295 VanDerWaalsContact O-N 3.13Å; K293-Y295 VanDerWaalsContact C-N 3.34Å; Y295-A297 PolarHBondContact O-N 2.93Å; Y295-I298 PolarHBondContact O-N 3.03Å; Y295-N299 HydrophobicContact CE1-CB 3.69Å; Y295-N299 PolarHBondContact O-N 2.93Å; Y295-N299 PolarHBondContact OH-ND2 2.97Å; Y295-P302 HydrophobicContact CD1-CB 4.42Å; Y295-P302 HydrophobicContact CE1-CB 3.76Å; Y295-D306 PolarHBondContact OH-OD1 3.47Å; Y295-D306 VanDerWaalsContact OH-OD1 3.1Å; Y295-D306 PolarHBondContact OH-OD2 3.49Å; Y295-L310 HydrophobicContact CD1-CD1 3.94Å; Y295-L310 HydrophobicContact CD2-CD1 4.34Å; Y295-L310 HydrophobicContact CD2-CD2 4.32Å; Y295-L310 HydrophobicContact CE1-CD1 4.4Å; Y295-L310 HydrophobicContact CG-CD1 3.93Å; Y295-L310 HydrophobicContact CG-CD2 4.16Å; Y295-L310 HydrophobicContact CG-CG 4.49Å; Y295-F325 AromaticContact CD1-CE1 3.97Å; Y295-F325 HydrophobicContact CD1-CE1 3.97Å; Y295-F325 AromaticContact CD1-CZ 3.85Å; Y295-F325 HydrophobicContact CD1-CZ 3.85Å
296F96.2Very high94.6Very high29 Ų2975.6 Ų75.613%0.12739%0.389CS..Hα-helixtrans-61.3-25.4177.2-167.4-87000113.1M292 K293 I298 H300 W324 F325 A328 R329 F332M292-F296 WeakPolarHBondContact O-CB 3.37Å; M292-F296 PolarHBondContact O-N 2.84Å; K293-F296 PolarHBondContact O-N 3.45Å; F296-I298 PolarHBondContact O-N 3.24Å; F296-H300 AromaticContact CE1-CD2 3.73Å; F296-H300 AromaticContact CE1-NE2 3.73Å; F296-H300 HydrophobicContact CE2-CB 4.28Å; F296-H300 HydrophobicContact CZ-CB 4.32Å; F296-H300 AromaticContact CZ-CD2 3.92Å; F296-H300 AromaticContact CZ-CG 3.91Å; F296-H300 PolarHBondContact O-CD2 2.76Å; F296-H300 PolarHBondContact O-NE2 3.49Å; F296-W324 HydrophobicContact CB-CH2 4.27Å; F296-W324 HydrophobicContact CB-CZ3 4.16Å; F296-W324 HydrophobicContact CD2-CZ3 4.16Å; F296-W324 HydrophobicContact CG-CZ3 4.42Å; F296-F325 HydrophobicContact CB-CE1 4.08Å; F296-F325 AromaticContact CD2-CD1 3.67Å; F296-F325 HydrophobicContact CD2-CD1 3.67Å; F296-F325 AromaticContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CE2-CD1 4.32Å; F296-F325 HydrophobicContact CG-CE1 4.44Å; F296-A328 HydrophobicContact CD2-CB 3.79Å; F296-A328 HydrophobicContact CE2-CB 3.47Å; F296-A328 VanDerWaalsContact CE2-CB 3.47Å; F296-A328 HydrophobicContact CZ-CB 3.96Å; F296-R329 HydrophobicContact CE2-CG 3.88Å; F296-R329 HydrophobicContact CZ-CG 4.2Å; F296-F332 HydrophobicContact CZ-CB 4.34Å
297A93.6Very high94.6Very high83 Ų8369.6 Ų69.669%0.68636%0.362SS*.THydrogen-bonded Turntrans-71.4-16.6174.400000113.6K293 S294 Y295K293-A297 PolarHBondContact O-N 3.39Å; S294-A297 PolarHBondContact O-N 3.42Å; Y295-A297 PolarHBondContact O-N 2.93Å
298I92.1Very high94.6Very high141 Ų14171.7 Ų71.772%0.72337%0.369SS*.THydrogen-bonded Turntrans-106.4-43.2-176.9-54.8169.2000110.6Y295 F296Y295-I298 PolarHBondContact O-N 3.03Å; F296-I298 PolarHBondContact O-N 3.24Å
299N91.9Very high94.7Very high51 Ų5174.2 Ų74.227%0.27338%0.381SS..  trans-142119.3179.5179.39.3000111.7Y295 N301Y295-N299 HydrophobicContact CE1-CB 3.69Å; Y295-N299 PolarHBondContact O-N 2.93Å; Y295-N299 PolarHBondContact OH-ND2 2.97Å; N299-N301 PolarHBondContact ND2-O 3.22Å; N299-N301 VanDerWaalsContact ND2-O 3.12Å; N299-N301 VanDerWaalsContact OD1-C 3.25Å; N299-N301 WeakPolarHBondContact OD1-CA 3.29Å; N299-N301 PolarHBondContact OD1-N 3.2Å; N299-N301 PolarHBondContact OD1-O 3.12Å
300H92.4Very high94.6Very high65 Ų6572.2 Ų72.230%0.30137%0.371SS..SBendtrans-76.3-25.5178.7-67.1-174.1000112.5F296 P302 R329 F332F296-H300 AromaticContact CE1-CD2 3.73Å; F296-H300 AromaticContact CE1-NE2 3.73Å; F296-H300 HydrophobicContact CE2-CB 4.28Å; F296-H300 HydrophobicContact CZ-CB 4.32Å; F296-H300 AromaticContact CZ-CD2 3.92Å; F296-H300 AromaticContact CZ-CG 3.91Å; F296-H300 PolarHBondContact O-CD2 2.76Å; F296-H300 PolarHBondContact O-NE2 3.49Å; H300-P302 WeakPolarHBondContact O-CD 3.41Å; H300-R329 HydrophobicContact CB-CG 4.37Å; H300-R329 VanDerWaalsContact O-CD 3.3Å; H300-R329 WeakPolarHBondContact O-CD 3.42Å; H300-R329 PolarHBondContact O-NH1 2.86Å; H300-F332 AromaticContact CE1-CD1 3.96Å; H300-F332 AromaticContact CE1-CE1 3.64Å; H300-F332 AromaticContact CE1-CE2 3.94Å; H300-F332 AromaticContact CE1-CZ 3.64Å; H300-F332 AromaticContact ND1-CD1 3.98Å; H300-F332 AromaticContact ND1-CE1 3.9Å
301N93.3Very high94.7Very high106 Ų10665.7 Ų65.757%0.56735%0.351SS*.SBendtrans-118.474.8-177.2-83.334.1000110.6N299 D303 R329N299-N301 PolarHBondContact ND2-O 3.22Å; N299-N301 VanDerWaalsContact ND2-O 3.12Å; N299-N301 VanDerWaalsContact OD1-C 3.25Å; N299-N301 WeakPolarHBondContact OD1-CA 3.29Å; N299-N301 PolarHBondContact OD1-N 3.2Å; N299-N301 PolarHBondContact OD1-O 3.12Å; N301-D303 PolarHBondContact O-N 3.44Å; N301-R329 WeakPolarHBondContact OD1-CD 3.27Å; N301-R329 PolarHBondContact OD1-NE 2.96Å; N301-R329 PolarHBondContact OD1-NH1 3.13Å
302P92.3Very high94.7Very high17 Ų1772.1 Ų72.111%0.1138%0.379CS..  trans-59.6135.5173.825.3-35000111.1Y295 H300 D306 L307 L310 F325Y295-P302 HydrophobicContact CD1-CB 4.42Å; Y295-P302 HydrophobicContact CE1-CB 3.76Å; H300-P302 WeakPolarHBondContact O-CD 3.41Å; P302-D306 HydrophobicContact CB-CB 3.71Å; P302-L307 HydrophobicContact CB-CG 4.35Å; P302-L307 HydrophobicContact CG-CG 4.45Å; P302-L310 HydrophobicContact CB-CD1 4.44Å; P302-F325 VanDerWaalsContact CD-CD1 3.48Å; P302-F325 HydrophobicContact CG-CB 4.28Å; P302-F325 HydrophobicContact CG-CD1 3.57Å; P302-F325 HydrophobicContact CG-CD2 3.94Å; P302-F325 HydrophobicContact CG-CE1 3.82Å; P302-F325 HydrophobicContact CG-CE2 4.18Å; P302-F325 HydrophobicContact CG-CG 3.66Å; P302-F325 HydrophobicContact CG-CZ 4.12Å
303D94.6Very high94.6Very high83 Ų8378.5 Ų78.544%0.44441%0.407SS..  trans-79.8-171.7178.788.4-11.5000112.2N301 K305 D306 L307N301-D303 PolarHBondContact O-N 3.44Å; D303-K305 VanDerWaalsContact C-N 3.32Å; D303-K305 PolarHBondContact O-N 2.94Å; D303-K305 VanDerWaalsContact OD1-CA 3.3Å; D303-K305 WeakPolarHBondContact OD1-CA 3.35Å; D303-K305 VanDerWaalsContact OD1-CB 3.29Å; D303-K305 WeakPolarHBondContact OD1-CB 3.46Å; D303-K305 PolarHBondContact OD1-N 3.44Å; D303-D306 PolarHBondContact N-OD2 3.08Å; D303-D306 WeakPolarHBondContact OD1-CB 3.33Å; D303-D306 VanDerWaalsContact OD1-CG 3.23Å; D303-D306 PolarHBondContact OD1-N 3.42Å; D303-L307 VanDerWaalsContact O-CB 3.27Å; D303-L307 WeakPolarHBondContact O-CB 3.24Å; D303-L307 WeakPolarHBondContact O-CD1 3.46Å; D303-L307 VanDerWaalsContact O-CG 3.29Å; D303-L307 WeakPolarHBondContact O-CG 3.22Å; D303-L307 PolarHBondContact O-N 2.97Å
304A93.6Very high94.5Very high63 Ų6372.7 Ų72.752%0.52138%0.382SS..Hα-helixtrans-67.3-27.7178.800000114.5K308A304-K308 PolarHBondContact O-N 3.34Å
305K94.5Very high94.4Very high146 Ų14672.4 Ų72.464%0.63539%0.391SS*.Hα-helixtrans-82.5-44.2179.8-178.4-175.1178-176.50110.6D303 K308 Q309D303-K305 VanDerWaalsContact C-N 3.32Å; D303-K305 PolarHBondContact O-N 2.94Å; D303-K305 VanDerWaalsContact OD1-CA 3.3Å; D303-K305 WeakPolarHBondContact OD1-CA 3.35Å; D303-K305 VanDerWaalsContact OD1-CB 3.29Å; D303-K305 WeakPolarHBondContact OD1-CB 3.46Å; D303-K305 PolarHBondContact OD1-N 3.44Å; K305-K308 WeakPolarHBondContact O-CB 3.42Å; K305-K308 PolarHBondContact O-N 3.44Å; K305-K308 VanDerWaalsContact O-N 3.11Å; K305-Q309 PolarHBondContact O-N 2.89Å
306D94.9Very high94.4Very high30 Ų3071.1 Ų71.116%0.1639%0.388CS..Hα-helixtrans-57.8-48172.1-62.9-39.3000111Y295 P302 D303 K308 Q309 L310Y295-D306 PolarHBondContact OH-OD1 3.47Å; Y295-D306 VanDerWaalsContact OH-OD1 3.1Å; Y295-D306 PolarHBondContact OH-OD2 3.49Å; P302-D306 HydrophobicContact CB-CB 3.71Å; D303-D306 PolarHBondContact N-OD2 3.08Å; D303-D306 WeakPolarHBondContact OD1-CB 3.33Å; D303-D306 VanDerWaalsContact OD1-CG 3.23Å; D303-D306 PolarHBondContact OD1-N 3.42Å; D306-K308 PolarHBondContact O-N 3.49Å; D306-Q309 PolarHBondContact O-N 2.93Å; D306-L310 WeakPolarHBondContact O-CB 3.43Å; D306-L310 WeakPolarHBondContact O-CG 3.46Å; D306-L310 PolarHBondContact O-N 3.02Å
307L95.3Very high94.4Very high12 Ų1274.1 Ų74.16%0.06341%0.408CS..Hα-helixtrans-59.2-33.4175-82.7165.9000112.6P302 D303 A311 K318 L321 Q322P302-L307 HydrophobicContact CB-CG 4.35Å; P302-L307 HydrophobicContact CG-CG 4.45Å; D303-L307 VanDerWaalsContact O-CB 3.27Å; D303-L307 WeakPolarHBondContact O-CB 3.24Å; D303-L307 WeakPolarHBondContact O-CD1 3.46Å; D303-L307 VanDerWaalsContact O-CG 3.29Å; D303-L307 WeakPolarHBondContact O-CG 3.22Å; D303-L307 PolarHBondContact O-N 2.97Å; L307-A311 VanDerWaalsContact O-CB 3.27Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 2.94Å; L307-K318 HydrophobicContact CB-CD 4.38Å; L307-K318 HydrophobicContact CB-CG 4.18Å; L307-L321 HydrophobicContact CD2-CB 3.71Å; L307-Q322 HydrophobicContact CD1-CG 3.71Å; L307-Q322 HydrophobicContact CD2-CG 3.97Å
308K95.4Very high94.4Very high153 Ų15374.4 Ų74.467%0.66539%0.394SS*.Hα-helixtrans-70.9-45.3175.2-171.4179.9178.9-1780111.1A304 K305 D306 A311 Q312A304-K308 PolarHBondContact O-N 3.34Å; K305-K308 WeakPolarHBondContact O-CB 3.42Å; K305-K308 PolarHBondContact O-N 3.44Å; K305-K308 VanDerWaalsContact O-N 3.11Å; D306-K308 PolarHBondContact O-N 3.49Å; K308-A311 PolarHBondContact O-N 3.46Å; K308-Q312 PolarHBondContact O-N 2.99Å
309Q95.5Very high94.5Very high84 Ų8476.9 Ų76.939%0.39339%0.394SS..Hα-helixtrans-63.2-43.3176.3-69.1-176.45900112.3K305 D306 Q312 K313K305-Q309 PolarHBondContact O-N 2.89Å; D306-Q309 PolarHBondContact O-N 2.93Å; Q309-Q312 PolarHBondContact O-N 3.16Å; Q309-K313 WeakPolarHBondContact O-CB 3.34Å; Q309-K313 WeakPolarHBondContact O-CG 3.41Å; Q309-K313 PolarHBondContact O-N 3.43Å
310L95.8Very high94.7Very high7 Ų777 Ų774%0.03740%0.397CS..Hα-helixtrans-66.1-36.9176.8-73.4167.3000111.6T291 Y295 P302 D306 K313 T314 L321 F325T291-L310 HydrophobicContact CG2-CD2 4.13Å; Y295-L310 HydrophobicContact CD1-CD1 3.94Å; Y295-L310 HydrophobicContact CD2-CD1 4.34Å; Y295-L310 HydrophobicContact CD2-CD2 4.32Å; Y295-L310 HydrophobicContact CE1-CD1 4.4Å; Y295-L310 HydrophobicContact CG-CD1 3.93Å; Y295-L310 HydrophobicContact CG-CD2 4.16Å; Y295-L310 HydrophobicContact CG-CG 4.49Å; P302-L310 HydrophobicContact CB-CD1 4.44Å; D306-L310 WeakPolarHBondContact O-CB 3.43Å; D306-L310 WeakPolarHBondContact O-CG 3.46Å; D306-L310 PolarHBondContact O-N 3.02Å; L310-K313 PolarHBondContact O-N 2.99Å; L310-T314 WeakPolarHBondContact O-CB 3.35Å; L310-T314 WeakPolarHBondContact O-CG2 3.3Å; L310-T314 PolarHBondContact O-N 3.29Å; L310-T314 PolarHBondContact O-OG1 2.92Å; L310-L321 HydrophobicContact CB-CD1 3.74Å; L310-F325 HydrophobicContact CD1-CE2 3.84Å; L310-F325 HydrophobicContact CD1-CZ 3.87Å
311A96.7Very high94.8Very high23 Ų2374 Ų7419%0.1938%0.383CS..Hα-helixtrans-61.4-48173.900000111.1L307 K308 K313 T314 G315 L316 L321L307-A311 VanDerWaalsContact O-CB 3.27Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 2.94Å; K308-A311 PolarHBondContact O-N 3.46Å; A311-K313 PolarHBondContact O-N 3.22Å; A311-T314 PolarHBondContact O-N 3.4Å; A311-G315 WeakPolarHBondContact O-CA 3.43Å; A311-G315 PolarHBondContact O-N 2.95Å; A311-L316 VanDerWaalsContact CA-O 3.3Å; A311-L316 WeakPolarHBondContact CA-O 3.46Å; A311-L316 VanDerWaalsContact CB-O 3.25Å; A311-L316 WeakPolarHBondContact CB-O 3.46Å; A311-L321 HydrophobicContact CB-CD1 3.93Å; A311-L321 VanDerWaalsContact N-CD1 3.27Å
312Q96.1Very high94.9Very high164 Ų16472.5 Ų72.577%0.76637%0.372SS*.Hα-helixtrans-62-42.1176.8-172176.6-5.600112.5K308 Q309K308-Q312 PolarHBondContact O-N 2.99Å; Q309-Q312 PolarHBondContact O-N 3.16Å
313K93.9Very high95.1Very high134 Ų13474.8 Ų74.858%0.58339%0.386SS*.Hα-helixtrans-73.3-28.2179.7-73.5177.4177.6177.40114.3T291 Q309 L310 A311T291-K313 HydrophobicContact CG2-CB 4.38Å; Q309-K313 WeakPolarHBondContact O-CB 3.34Å; Q309-K313 WeakPolarHBondContact O-CG 3.41Å; Q309-K313 PolarHBondContact O-N 3.43Å; L310-K313 PolarHBondContact O-N 2.99Å; A311-K313 PolarHBondContact O-N 3.22Å
314T94.5Very high95.2Very high9 Ų972.6 Ų72.66%0.05537%0.371CS..Hα-helixtrans-106.1-14.2-174.861.50000114.3Q288 T291 M292 L310 A311 L316Q288-T314 WeakPolarHBondContact CG-O 3.38Å; Q288-T314 PolarHBondContact NE2-O 3.25Å; T291-T314 HydrophobicContact CG2-CG2 3.88Å; M292-T314 HydrophobicContact CG-CG2 4.42Å; L310-T314 WeakPolarHBondContact O-CB 3.35Å; L310-T314 WeakPolarHBondContact O-CG2 3.3Å; L310-T314 PolarHBondContact O-N 3.29Å; L310-T314 PolarHBondContact O-OG1 2.92Å; A311-T314 PolarHBondContact O-N 3.4Å; T314-L316 PolarHBondContact O-N 3.48Å; T314-L316 WeakPolarHBondContact OG1-CB 2.98Å; T314-L316 PolarHBondContact OG1-N 3.09Å
315G95.2Very high95.3Very high69 Ų6969.7 Ų69.771%0.71135%0.347SS*.  trans66.813.1-169.600000113.8A311A311-G315 WeakPolarHBondContact O-CA 3.43Å; A311-G315 PolarHBondContact O-N 2.95Å
316L95.3Very high95.4Very high25 Ų2567.8 Ų67.813%0.13134%0.341CS..  trans-94.9143.7178.8-62.4176.6000110.7F284 Q288 M292 A311 T314 V320 L321F284-L316 HydrophobicContact CD1-CD1 3.74Å; F284-L316 HydrophobicContact CD1-CD2 4.07Å; F284-L316 HydrophobicContact CE1-CD1 3.8Å; F284-L316 HydrophobicContact CE1-CD2 4.11Å; Q288-L316 HydrophobicContact CB-CD1 4.16Å; Q288-L316 HydrophobicContact CG-CD1 4.45Å; M292-L316 HydrophobicContact CE-CD1 3.94Å; M292-L316 HydrophobicContact SD-CD1 3.96Å; A311-L316 VanDerWaalsContact CA-O 3.3Å; A311-L316 WeakPolarHBondContact CA-O 3.46Å; A311-L316 VanDerWaalsContact CB-O 3.25Å; A311-L316 WeakPolarHBondContact CB-O 3.46Å; T314-L316 PolarHBondContact O-N 3.48Å; T314-L316 WeakPolarHBondContact OG1-CB 2.98Å; T314-L316 PolarHBondContact OG1-N 3.09Å; L316-V320 HydrophobicContact CB-CG1 4.32Å; L316-V320 HydrophobicContact CD1-CG1 4.37Å; L316-V320 HydrophobicContact CD2-CG1 4.3Å; L316-L321 HydrophobicContact CB-CD2 4.04Å; L316-L321 HydrophobicContact CB-CG 4.04Å; L316-L321 HydrophobicContact CD1-CD2 3.92Å
317T95.4Very high95.4Very high91 Ų9171 Ų7156%0.55836%0.357SS*.  trans-66.5149.7176.969.20000111.3R319 V320 L321T317-R319 PolarHBondContact O-N 3.45Å; T317-R319 VanDerWaalsContact O-N 3.11Å; T317-V320 PolarHBondContact O-N 2.96Å; T317-V320 WeakPolarHBondContact OG1-CG2 3.39Å; T317-V320 PolarHBondContact OG1-N 3.11Å; T317-L321 PolarHBondContact O-N 3.14Å; T317-L321 VanDerWaalsContact O-N 3.09Å
318K93.8Very high95.4Very high90 Ų9071.3 Ų71.339%0.39136%0.362SS..Hα-helixtrans-50.5-38.5177.5-179.2165.9-179174.90112.6L307 L321 Q322L307-K318 HydrophobicContact CB-CD 4.38Å; L307-K318 HydrophobicContact CB-CG 4.18Å; K318-L321 PolarHBondContact O-N 3.43Å; K318-Q322 WeakPolarHBondContact O-CB 3.37Å; K318-Q322 VanDerWaalsContact O-CG 3.24Å; K318-Q322 WeakPolarHBondContact O-CG 3.31Å; K318-Q322 PolarHBondContact O-N 2.84Å
319R94.3Very high95.4Very high193 Ų19366.6 Ų66.673%0.72834%0.34SS*.Hα-helixtrans-65.3-42176.9-172.1177.5-177.690-2.1112.8T317 Q322 V323T317-R319 PolarHBondContact O-N 3.45Å; T317-R319 VanDerWaalsContact O-N 3.11Å; R319-Q322 PolarHBondContact O-N 3.31Å; R319-V323 WeakPolarHBondContact O-CG2 3.34Å; R319-V323 PolarHBondContact O-N 3.34Å
320V95.1Very high95.4Very high54 Ų5464.2 Ų64.233%0.32734%0.335SS..Hα-helixtrans-65.5-42.1178.2168.70000110.7F284 L316 T317 V323 W324F284-V320 HydrophobicContact CE1-CG1 3.5Å; F284-V320 VanDerWaalsContact CE1-CG1 3.5Å; F284-V320 HydrophobicContact CZ-CG1 3.82Å; L316-V320 HydrophobicContact CB-CG1 4.32Å; L316-V320 HydrophobicContact CD1-CG1 4.37Å; L316-V320 HydrophobicContact CD2-CG1 4.3Å; T317-V320 PolarHBondContact O-N 2.96Å; T317-V320 WeakPolarHBondContact OG1-CG2 3.39Å; T317-V320 PolarHBondContact OG1-N 3.11Å; V320-V323 PolarHBondContact O-N 3.13Å; V320-W324 WeakPolarHBondContact O-CB 3.44Å; V320-W324 PolarHBondContact O-N 3.46Å
321L96Very high95.2Very high0 Ų070.1 Ų70.10%036%0.36CS..Hα-helixtrans-63-47.1173.6-66173.8000111.8M292 L307 L310 A311 L316 T317 K318 V323 W324 F325M292-L321 HydrophobicContact CG-CD2 3.88Å; M292-L321 HydrophobicContact SD-CD2 3.43Å; M292-L321 WeakPolarHBondContact SD-CD2 3.24Å; L307-L321 HydrophobicContact CD2-CB 3.71Å; L310-L321 HydrophobicContact CB-CD1 3.74Å; A311-L321 HydrophobicContact CB-CD1 3.93Å; A311-L321 VanDerWaalsContact N-CD1 3.27Å; L316-L321 HydrophobicContact CB-CD2 4.04Å; L316-L321 HydrophobicContact CB-CG 4.04Å; L316-L321 HydrophobicContact CD1-CD2 3.92Å; T317-L321 PolarHBondContact O-N 3.14Å; T317-L321 VanDerWaalsContact O-N 3.09Å; K318-L321 PolarHBondContact O-N 3.43Å; L321-V323 VanDerWaalsContact C-N 3.33Å; L321-V323 PolarHBondContact O-N 3.33Å; L321-W324 WeakPolarHBondContact O-CB 3.38Å; L321-W324 PolarHBondContact O-N 3.2Å; L321-W324 VanDerWaalsContact O-N 3.08Å; L321-F325 WeakPolarHBondContact O-CD2 3.38Å; L321-F325 PolarHBondContact O-N 3.03Å
322Q95.7Very high95Very high75 Ų7573.4 Ų73.435%0.3537%0.37SS..Hα-helixtrans-53.7-48175.6-77.2168.7-25.800112.1L307 K318 R319 W324 F325 Q326L307-Q322 HydrophobicContact CD1-CG 3.71Å; L307-Q322 HydrophobicContact CD2-CG 3.97Å; K318-Q322 WeakPolarHBondContact O-CB 3.37Å; K318-Q322 VanDerWaalsContact O-CG 3.24Å; K318-Q322 WeakPolarHBondContact O-CG 3.31Å; K318-Q322 PolarHBondContact O-N 2.84Å; R319-Q322 PolarHBondContact O-N 3.31Å; Q322-W324 VanDerWaalsContact C-N 3.35Å; Q322-W324 PolarHBondContact O-N 3.42Å; Q322-F325 PolarHBondContact O-N 3.38Å; Q322-Q326 WeakPolarHBondContact O-CB 3.42Å; Q322-Q326 VanDerWaalsContact O-CG 3.22Å; Q322-Q326 WeakPolarHBondContact O-CG 3.3Å; Q322-Q326 PolarHBondContact O-N 2.98Å
323V95.9Very high94.8Very high65 Ų6573.1 Ų73.139%0.39436%0.362SS..Hα-helixtrans-64.8-37.9177.21720000111.5R319 V320 L321 N327R319-V323 WeakPolarHBondContact O-CG2 3.34Å; R319-V323 PolarHBondContact O-N 3.34Å; V320-V323 PolarHBondContact O-N 3.13Å; L321-V323 VanDerWaalsContact C-N 3.33Å; L321-V323 PolarHBondContact O-N 3.33Å; V323-N327 WeakPolarHBondContact CG1-ND2 3.49Å; V323-N327 WeakPolarHBondContact O-CB 3.25Å; V323-N327 VanDerWaalsContact O-CG 3.31Å; V323-N327 PolarHBondContact O-N 3.22Å; V323-N327 PolarHBondContact O-ND2 2.84Å
324W95.8Very high94.5Very high37 Ų3774.5 Ų74.514%0.1436%0.364CS..Hα-helixtrans-62.8-49.4175.4-171.498000111.7F284 M292 K293 F296 V320 L321 Q322 Q326 N327 A328F284-W324 AromaticContact CE2-CD1 3.74Å; M292-W324 HydrophobicContact CB-CD2 4.14Å; M292-W324 HydrophobicContact CB-CE3 3.98Å; M292-W324 HydrophobicContact CB-CH2 3.72Å; M292-W324 HydrophobicContact CB-CZ2 3.84Å; M292-W324 HydrophobicContact CB-CZ3 3.78Å; M292-W324 HydrophobicContact CE-CD2 4.21Å; M292-W324 HydrophobicContact CE-CG 4.11Å; M292-W324 HydrophobicContact CG-CD2 4.48Å; M292-W324 HydrophobicContact CG-CE3 4.48Å; M292-W324 HydrophobicContact SD-CB 4.13Å; M292-W324 HydrophobicContact SD-CD2 3.65Å; M292-W324 HydrophobicContact SD-CE3 4.11Å; M292-W324 HydrophobicContact SD-CG 3.63Å; K293-W324 HydrophobicContact CG-CH2 4.14Å; K293-W324 HydrophobicContact CG-CZ2 4.08Å; F296-W324 HydrophobicContact CB-CH2 4.27Å; F296-W324 HydrophobicContact CB-CZ3 4.16Å; F296-W324 HydrophobicContact CD2-CZ3 4.16Å; F296-W324 HydrophobicContact CG-CZ3 4.42Å; V320-W324 WeakPolarHBondContact O-CB 3.44Å; V320-W324 PolarHBondContact O-N 3.46Å; L321-W324 WeakPolarHBondContact O-CB 3.38Å; L321-W324 PolarHBondContact O-N 3.2Å; L321-W324 VanDerWaalsContact O-N 3.08Å; Q322-W324 VanDerWaalsContact C-N 3.35Å; Q322-W324 PolarHBondContact O-N 3.42Å; W324-Q326 PolarHBondContact O-N 2.97Å; W324-N327 PolarHBondContact O-N 3.3Å; W324-A328 HydrophobicContact CE3-CB 4.19Å; W324-A328 HydrophobicContact CH2-CB 4.29Å; W324-A328 HydrophobicContact CZ3-CB 3.95Å; W324-A328 WeakPolarHBondContact O-CB 3.27Å; W324-A328 PolarHBondContact O-N 2.77Å
325F97Very high93.8Very high2 Ų277.6 Ų77.61%0.00938%0.38CS..Hα-helixtrans-66.1-36.9179-84.5-89.2000112.5Y295 F296 P302 L310 L321 Q322 A328 R329Y295-F325 AromaticContact CD1-CE1 3.97Å; Y295-F325 HydrophobicContact CD1-CE1 3.97Å; Y295-F325 AromaticContact CD1-CZ 3.85Å; Y295-F325 HydrophobicContact CD1-CZ 3.85Å; F296-F325 HydrophobicContact CB-CE1 4.08Å; F296-F325 AromaticContact CD2-CD1 3.67Å; F296-F325 HydrophobicContact CD2-CD1 3.67Å; F296-F325 AromaticContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CE2-CD1 4.32Å; F296-F325 HydrophobicContact CG-CE1 4.44Å; P302-F325 VanDerWaalsContact CD-CD1 3.48Å; P302-F325 HydrophobicContact CG-CB 4.28Å; P302-F325 HydrophobicContact CG-CD1 3.57Å; P302-F325 HydrophobicContact CG-CD2 3.94Å; P302-F325 HydrophobicContact CG-CE1 3.82Å; P302-F325 HydrophobicContact CG-CE2 4.18Å; P302-F325 HydrophobicContact CG-CG 3.66Å; P302-F325 HydrophobicContact CG-CZ 4.12Å; L310-F325 HydrophobicContact CD1-CE2 3.84Å; L310-F325 HydrophobicContact CD1-CZ 3.87Å; L321-F325 WeakPolarHBondContact O-CD2 3.38Å; L321-F325 PolarHBondContact O-N 3.03Å; Q322-F325 PolarHBondContact O-N 3.38Å; F325-A328 PolarHBondContact O-N 3.48Å; F325-R329 WeakPolarHBondContact O-CG 3.29Å; F325-R329 PolarHBondContact O-N 2.92Å
326Q95.4Very high93Very high107 Ų10777.9 Ų77.950%0.537%0.365SS..Hα-helixtrans-59.6-47.5171.4-74.6169.48.900111.7Q322 W324 R329 A330Q322-Q326 WeakPolarHBondContact O-CB 3.42Å; Q322-Q326 VanDerWaalsContact O-CG 3.22Å; Q322-Q326 WeakPolarHBondContact O-CG 3.3Å; Q322-Q326 PolarHBondContact O-N 2.98Å; W324-Q326 PolarHBondContact O-N 2.97Å; Q326-R329 PolarHBondContact O-N 3.23Å; Q326-A330 WeakPolarHBondContact O-CB 3.38Å; Q326-A330 PolarHBondContact O-N 3.42Å
327N96.3Very high91.5Very high96 Ų9681.9 Ų81.951%0.51339%0.386SS..Hα-helixtrans-65.9-38.1177.5-75.2-43.5000112.6V323 W324 A330 K331V323-N327 WeakPolarHBondContact CG1-ND2 3.49Å; V323-N327 WeakPolarHBondContact O-CB 3.25Å; V323-N327 VanDerWaalsContact O-CG 3.31Å; V323-N327 PolarHBondContact O-N 3.22Å; V323-N327 PolarHBondContact O-ND2 2.84Å; W324-N327 PolarHBondContact O-N 3.3Å; N327-A330 PolarHBondContact O-N 3.06Å; N327-K331 PolarHBondContact O-N 2.93Å
328A95.1Very high90.1Very high19 Ų1986.3 Ų86.316%0.15739%0.392CS..Hα-helixtrans-62.7-48175.300000111.3F296 W324 F325 A330 K331 F332F296-A328 HydrophobicContact CD2-CB 3.79Å; F296-A328 HydrophobicContact CE2-CB 3.47Å; F296-A328 VanDerWaalsContact CE2-CB 3.47Å; F296-A328 HydrophobicContact CZ-CB 3.96Å; W324-A328 HydrophobicContact CE3-CB 4.19Å; W324-A328 HydrophobicContact CH2-CB 4.29Å; W324-A328 HydrophobicContact CZ3-CB 3.95Å; W324-A328 WeakPolarHBondContact O-CB 3.27Å; W324-A328 PolarHBondContact O-N 2.77Å; F325-A328 PolarHBondContact O-N 3.48Å; A328-A330 PolarHBondContact O-N 3.41Å; A328-K331 PolarHBondContact O-N 2.65Å; A328-F332 PolarHBondContact O-N 3.48Å
329R95.8Very high88.4Confident55 Ų5588.7 Ų88.721%0.20841%0.405CS..Hα-helixtrans-61.7-41.1173.9-70.4-168.3-63.5-100.89.5113.1F296 H300 N301 F325 Q326 K331 F332 R333F296-R329 HydrophobicContact CE2-CG 3.88Å; F296-R329 HydrophobicContact CZ-CG 4.2Å; H300-R329 HydrophobicContact CB-CG 4.37Å; H300-R329 VanDerWaalsContact O-CD 3.3Å; H300-R329 WeakPolarHBondContact O-CD 3.42Å; H300-R329 PolarHBondContact O-NH1 2.86Å; N301-R329 WeakPolarHBondContact OD1-CD 3.27Å; N301-R329 PolarHBondContact OD1-NE 2.96Å; N301-R329 PolarHBondContact OD1-NH1 3.13Å; F325-R329 WeakPolarHBondContact O-CG 3.29Å; F325-R329 PolarHBondContact O-N 2.92Å; Q326-R329 PolarHBondContact O-N 3.23Å; R329-K331 VanDerWaalsContact C-N 3.3Å; R329-K331 PolarHBondContact O-N 2.89Å; R329-F332 PolarHBondContact O-N 3.33Å; R329-R333 PolarHBondContact O-N 3.42Å
330A94Very high86.6Confident34 Ų3485.9 Ų85.928%0.28140%0.4SS..Hα-helixtrans-65.6-32.617600000112.3Q326 N327 A328 R334Q326-A330 WeakPolarHBondContact O-CB 3.38Å; Q326-A330 PolarHBondContact O-N 3.42Å; N327-A330 PolarHBondContact O-N 3.06Å; A328-A330 PolarHBondContact O-N 3.41Å; A330-R334 WeakPolarHBondContact O-CG 3.29Å; A330-R334 PolarHBondContact O-N 3.39Å; A330-R334 PolarHBondContact O-NE 3.22Å
331K92.9Very high84.3Confident131 Ų13188.1 Ų88.157%0.5742%0.418SS*.Hα-helixtrans-69.9-42.8169.6-172.4-179.7177.6-1750111.2N327 A328 R329 R334 N335N327-K331 PolarHBondContact O-N 2.93Å; A328-K331 PolarHBondContact O-N 2.65Å; R329-K331 VanDerWaalsContact C-N 3.3Å; R329-K331 PolarHBondContact O-N 2.89Å; K331-R334 PolarHBondContact O-N 3.37Å; K331-N335 PolarHBondContact O-N 3.24Å; K331-N335 PolarHBondContact O-ND2 3.34Å
332F91.8Very high81.9Confident91 Ų9193.8 Ų93.840%0.39945%0.453SS..Hα-helixtrans-59.4-53179.2-175-105.3000111.8F296 H300 A328 R329 R334 N335 L336F296-F332 HydrophobicContact CZ-CB 4.34Å; H300-F332 AromaticContact CE1-CD1 3.96Å; H300-F332 AromaticContact CE1-CE1 3.64Å; H300-F332 AromaticContact CE1-CE2 3.94Å; H300-F332 AromaticContact CE1-CZ 3.64Å; H300-F332 AromaticContact ND1-CD1 3.98Å; H300-F332 AromaticContact ND1-CE1 3.9Å; A328-F332 PolarHBondContact O-N 3.48Å; R329-F332 PolarHBondContact O-N 3.33Å; F332-R334 VanDerWaalsContact C-N 3.3Å; F332-R334 PolarHBondContact O-N 2.94Å; F332-N335 PolarHBondContact O-N 3.12Å; F332-L336 HydrophobicContact CD1-CD1 4Å; F332-L336 HydrophobicContact CE1-CD1 3.42Å; F332-L336 VanDerWaalsContact CE1-CD1 3.42Å; F332-L336 HydrophobicContact CE1-CG 4.48Å; F332-L336 HydrophobicContact CZ-CD1 3.87Å; F332-L336 PolarHBondContact O-N 2.87Å; F332-L336 VanDerWaalsContact O-N 3.12Å
333R91.7Very high79.4Confident158 Ų15893 Ų9360%0.59647%0.465SS*.Hα-helixtrans-57.8-37.5177.2-68.8-164.5-58.4-100.53.3113.7R329 N335 L336 L337R329-R333 PolarHBondContact O-N 3.42Å; R333-N335 VanDerWaalsContact C-N 3.25Å; R333-N335 PolarHBondContact O-N 3.44Å; R333-L336 PolarHBondContact O-N 2.96Å; R333-L337 PolarHBondContact O-N 3.1Å
334R87.1Confident77.1Confident164 Ų16496 Ų9662%0.61948%0.483SS*.Hα-helixtrans-69.5-17.9175.5-75.5-173.9-60.3116.7-6.4114.2A330 K331 F332A330-R334 WeakPolarHBondContact O-CG 3.29Å; A330-R334 PolarHBondContact O-N 3.39Å; A330-R334 PolarHBondContact O-NE 3.22Å; K331-R334 PolarHBondContact O-N 3.37Å; F332-R334 VanDerWaalsContact C-N 3.3Å; F332-R334 PolarHBondContact O-N 2.94Å
335N81.3Confident74.1Confident73 Ų73101.8 Ų101.839%0.3952%0.516SS..Hα-helixtrans-87.1-36.9172-73.5-79.1000111.2K331 F332 R333 R338 Q339K331-N335 PolarHBondContact O-N 3.24Å; K331-N335 PolarHBondContact O-ND2 3.34Å; F332-N335 PolarHBondContact O-N 3.12Å; R333-N335 VanDerWaalsContact C-N 3.25Å; R333-N335 PolarHBondContact O-N 3.44Å; N335-R338 PolarHBondContact O-N 3.44Å; N335-R338 PolarHBondContact OD1-NH1 2.81Å; N335-Q339 PolarHBondContact O-N 3.18Å
336L77.7Confident71.2Confident76 Ų76111.3 Ų111.340%0.39856%0.558SS.*Hα-helixtrans-60.6-50.4172-94.6163.4000112.7F332 R333 R338 Q339 E340F332-L336 HydrophobicContact CD1-CD1 4Å; F332-L336 HydrophobicContact CE1-CD1 3.42Å; F332-L336 VanDerWaalsContact CE1-CD1 3.42Å; F332-L336 HydrophobicContact CE1-CG 4.48Å; F332-L336 HydrophobicContact CZ-CD1 3.87Å; F332-L336 PolarHBondContact O-N 2.87Å; F332-L336 VanDerWaalsContact O-N 3.12Å; R333-L336 PolarHBondContact O-N 2.96Å; L336-R338 PolarHBondContact O-N 3.05Å; L336-R338 VanDerWaalsContact O-N 3.16Å; L336-Q339 WeakPolarHBondContact O-CA 3.3Å; L336-Q339 WeakPolarHBondContact O-CB 3.4Å; L336-Q339 PolarHBondContact O-N 3.28Å; L336-E340 PolarHBondContact O-N 3.11Å
337L63.5Low68.1Low109 Ų109111.1 Ų111.157%0.57158%0.575SS**Hα-helixtrans-61.3-29.5179.8-173.164.1000112.6R333 Q339 S341R333-L337 PolarHBondContact O-N 3.1Å; L337-Q339 PolarHBondContact O-N 3.43Å; L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 2.91Å
338R66.4Low65.3Low184 Ų184111.3 Ų111.369%0.69458%0.584SS**Hα-helixtrans-76.7-4.9175.1-148.3-17789.7-114.66.4113.5N335 L336N335-R338 PolarHBondContact O-N 3.44Å; N335-R338 PolarHBondContact OD1-NH1 2.81Å; L336-R338 PolarHBondContact O-N 3.05Å; L336-R338 VanDerWaalsContact O-N 3.16Å
339Q57.7Low62.3Low140 Ų140118.4 Ų118.465%0.65462%0.619SS**Hα-helixtrans-107.4-31.3177.3-166.5166.76300110.8N335 L336 L337 T342N335-Q339 PolarHBondContact O-N 3.18Å; L336-Q339 WeakPolarHBondContact O-CA 3.3Å; L336-Q339 WeakPolarHBondContact O-CB 3.4Å; L336-Q339 PolarHBondContact O-N 3.28Å; L337-Q339 PolarHBondContact O-N 3.43Å; Q339-T342 PolarHBondContact O-OG1 3.06Å
340E56.1Low59.3Low134 Ų134118.5 Ų118.563%0.62664%0.637SS**Hα-helixtrans-65.8-40.4168.6-96.5176.696.300113L336 T342 G343L336-E340 PolarHBondContact O-N 3.11Å; E340-T342 PolarHBondContact O-N 3.37Å; E340-G343 PolarHBondContact O-N 2.74Å; E340-G343 VanDerWaalsContact O-N 3.15Å
341S46.6Very low56.3Low101 Ų101123 Ų12371%0.70667%0.667SS**THydrogen-bonded Turntrans-69.616.6178-580000115.3L337L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 2.91Å
342T46Very low53.5Low119 Ų119122.9 Ų122.973%0.7368%0.677SS**THydrogen-bonded Turntrans-120.311173.924.90000112.8Q339 E340Q339-T342 PolarHBondContact O-OG1 3.06Å; E340-T342 PolarHBondContact O-N 3.37Å
343G44.5Very low50.7Low59 Ų59125.4 Ų125.461%0.60869%0.694SS**SBendtrans-141.536.6-166.500000117.4E340E340-G343 PolarHBondContact O-N 2.74Å; E340-G343 VanDerWaalsContact O-N 3.15Å
344V45.7Very low47.8Very low128 Ų128126.8 Ų126.878%0.77671%0.707SS**  trans-155.3119.2160.7-102.90000110
345D32.9Very low45.1Very low157 Ų157122.9 Ų122.984%0.8472%0.718SS**  trans155.992.9137.1-82-20.9000112.1
346K36Very low42.6Very low202 Ų202123.2 Ų123.288%0.87874%0.739SS**  trans-171.4106132.2-113.4-176.3175.4-174.70113.4
347A31.9Very low40.4Very low103 Ų103126.2 Ų126.285%0.85176%0.76SS**  trans-139.3117.4141.500000107
348S35.8Very low39.6Very low101 Ų101126.4 Ų126.471%0.70677%0.769SS**  trans-68.1151.2168.6-64.50000108.6
349D33Very low37.9Very low167 Ų167123 Ų12389%0.89377%0.773SS**  -155.7167.469.2-134.8-36.9000114.7
350G33.2Very low36.5Very low58 Ų58119.7 Ų119.760%0.59878%0.776SS**  trans-97159.8-167.800000116.1
351S31.2Very low36.2Very low129 Ų129119.4 Ų119.490%0.90279%0.786SS**  trans-155.4154.1151-880000111.7
352T33.3Very low35.5Very low128 Ų128118.4 Ų118.479%0.78578%0.784SS**  trans-89.3158.3-160.3-41.90000113.5
353L32.9Very low34.9Very low144 Ų144117.8 Ų117.875%0.75478%0.784SS**  trans114.2110.1150.5-61.3173.8000118.9
354Q30.8Very low34.2Very low186 Ų186122.6 Ų122.687%0.86979%0.791SS**  73.3122.3121.1-152.6160.672.100120.1
355G30.6Very low33.5Very low82 Ų82123.1 Ų123.185%0.84579%0.788SS**  trans-72.1171.8-170.300000117.7
356G29.2Very low33.4Very low81 Ų81120.8 Ų120.884%0.83578%0.784SS**  trans165.5100.6172.500000113.8
357T31.7Very low33.1Very low138 Ų138118.8 Ų118.885%0.84778%0.783SS**  trans-100.8143.1148550000106.3
358P46.2Very low33.1Very low114 Ų114118.6 Ų118.674%0.7478%0.781SS**  -154.4-176.460.241.6-20.8000117.8
359S31Very low32.7Very low113 Ų113118.4 Ų118.479%0.7978%0.78SS**  trans81127.4152.6-55.80000120.3
360G28.7Very low32.7Very low69 Ų69118.9 Ų118.971%0.71178%0.779SS**  trans-84.2-164.115300000111.5
361P49.1Very low32.8Very low128 Ų128121.6 Ų121.683%0.83179%0.789SS**  cis-146.8-173.744.742.5-23.2000117.3
362A30.8Very low33.5Very low81 Ų81121.3 Ų121.367%0.66978%0.784SS**  trans64.8111.7150.100000119.4
363S34.6Very low33.2Very low105 Ų105120.2 Ų120.273%0.73478%0.782SS**  96.8146.695.6-710000111.5
364E29.6Very low33Very low160 Ų160118.9 Ų118.975%0.74878%0.784SS**  cis-164171.21.5-126.9174.6133.200110.7
365I31.8Very low33Very low139 Ų139116.3 Ų116.371%0.71378%0.781SS**  trans23.9134.1163.63164000121.5
366S29.7Very low33.5Very low109 Ų109117.3 Ų117.376%0.76277%0.773SS**  -164.815957.1-57.60000115.2
367N30.9Very low33.4Very low159 Ų159119 Ų11985%0.8577%0.768SS**  trans-61.6154.7172.9-50.2-34.9000114.4
368A30.1Very low33.3Very low100 Ų100119.4 Ų119.483%0.82677%0.77SS**  -175.9141.7105.700000112.9
369S29.1Very low32.4Very low97 Ų97121.6 Ų121.668%0.67878%0.775SS**  trans-78.1161.1174.8-48.30000112.4
370M33.1Very low32.5Very low177 Ų177123.5 Ų123.587%0.87278%0.782SS**  167.3128.5123.1-74.6-23147.200110.6
371S35.3Very low32.4Very low115 Ų115126.9 Ų126.980%0.80478%0.783SS**  trans-95.8162.9155.9-43.70000108.2
372P45.5Very low31.4Very low122 Ų122127.3 Ų127.379%0.79278%0.778SS**  -154.1157.478.438.7-18.7000118.2
373S27.2Very low31.5Very low106 Ų106130.2 Ų130.274%0.74179%0.788SS**  trans37.8126.6136.6-166.30000122
374S28.5Very low31.3Very low116 Ų116132.4 Ų132.481%0.81179%0.791SS**  -170.4146.7115.2-78.20000113.3
375T30.4Very low32.1Very low131 Ų131129.7 Ų129.780%0.80479%0.787SS**  trans-87.9-175.2171.148.20000109.6
376P41.6Very low31.9Very low104 Ų104129.5 Ų129.568%0.67579%0.793SS**  cis-151.1-179.719.341.3-17.6000120.7
377T27.5Very low32.1Very low117 Ų117132.6 Ų132.672%0.71880%0.797SS**  trans63.2123148.941.30000121.9
378T29.1Very low32.7Very low146 Ų146130.4 Ų130.490%0.89679%0.792SS**  -159.215695.411.40000113
379L26.3Very low32.7Very low160 Ų160131.9 Ų131.984%0.83879%0.791SS**  trans-97.6150.6-178.8-73.3155.5000111.1
380T34Very low32.6Very low153 Ų153133.4 Ų133.494%0.93980%0.796SS**  -168.4161.5123.912.20000110.7
381D26.3Very low32.4Very low140 Ų140131.2 Ų131.275%0.74979%0.792SS**  trans-138.1161.3-156.7-160.46.3000111.8
382L27.1Very low32.2Very low137 Ų137131.2 Ų131.272%0.71779%0.792SS**  trans50.7119.4169.1-97.369.1000119.8
383T32.8Very low31.4Very low142 Ų142132.2 Ų132.287%0.87180%0.796SS**  179.3139.5103.928.20000113.5
384N30.8Very low31.4Very low151 Ų151134.4 Ų134.481%0.80780%0.798SS**  trans-111.2-179.7161.5-146.323.4000106.1
385P46.3Very low31.4Very low102 Ų102135.3 Ų135.366%0.66280%0.799SS**  cis-138-179.77.143.5-25.4000116.1
386T29.3Very low31.4Very low136 Ų136134.2 Ų134.283%0.83480%0.797SS**  trans-162.7137.5149.1-76.90000111.4
387M32.8Very low31Very low174 Ų174135.8 Ų135.886%0.85780%0.804SS**  trans-101.6164.1166.6-82.1-84.5-144.200109.3
388P43.4Very low31.5Very low113 Ų113136 Ų13673%0.73481%0.807SS**  -155.3154.810537.5-18.5000119
389T30.3Very low31.3Very low131 Ų131132.7 Ų132.780%0.80480%0.802SS**  trans84.5133.1138.3-63.80000122.9
390V27.9Very low31.4Very low129 Ų129128.6 Ų128.678%0.78280%0.799SS**  trans-90.9156.9173.2-87.60000113
391T28.7Very low31.1Very low130 Ų130129.4 Ų129.480%0.79879%0.794SS**  trans-150.6142.8152.7-58.10000110.3
392S30.6Very low31.3Very low116 Ų116129.7 Ų129.781%0.81180%0.796SS**  trans-122.7137.4179.5-49.10000110.1
393V28.9Very low31.4Very low142 Ų142129.1 Ų129.186%0.86180%0.798SS**  trans-141.3145.6166.2-171.50000110
394L26.8Very low31.3Very low153 Ų153129.8 Ų129.880%0.80179%0.791SS**  trans-94.3-174-175.7-69.5162.2000112.5
395T28.1Very low31.2Very low135 Ų135131.1 Ų131.183%0.82879%0.792SS**  trans76.1145.4166.267.80000116.4
396S30.1Very low30.4Very low107 Ų107131.8 Ų131.875%0.74880%0.798SS**  cis-167.4159-10.939.50000110.4
397V33.1Very low30.3Very low137 Ų137137 Ų13783%0.8380%0.802SS**  trans-95.7139.8176.1177.50000111.1
398P38.5Very low30Very low121 Ų121133.6 Ų133.679%0.78680%0.796SS**  -129.3157.8116.814.36.2000110.5
399G26.3Very low29.5Very low77 Ų77134.3 Ų134.379%0.79480%0.8SS**  cis113.198.321.800000109.5
400G27.1Very low29.4Very low75 Ų75133.1 Ų133.177%0.77380%0.797SS**  trans-166.2145-178.400000111.4
401M28.4Very low29.4Very low169 Ų169136.4 Ų136.483%0.83380%0.804SS**  trans-137.2165.8-160.1-45.7-177.18200111.4
402D29.2Very low29.5Very low147 Ų147136.5 Ų136.579%0.78681%0.805SS**  trans70.2150.3167.5-63.2-79000116.9
403V31.1Very low29.3Very low124 Ų124137.6 Ų137.675%0.75281%0.807SS**  cis-156.1173.6-1.1105.90000112.4
404H28.8Very low29.2Very low156 Ų156138.9 Ų138.972%0.72281%0.808SS**  trans-35.1157.8165.5-93.3-140.4000116.6
405E29.3Very low29.3Very low180 Ų180137.8 Ų137.884%0.84181%0.808SS**  -169.5-179.856.5-160.4153.710100114.2
406C28.7Very low29.5Very low115 Ų115136.6 Ų136.678%0.77781%0.805SS**  trans-87.7150.5-166.8-50.20000116.8
407R27.3Very low29.5Very low245 Ų245139.2 Ų139.293%0.92581%0.81SS**  trans-156.2129.4147.7-157.8172-178-179.11.7113.9
408S27.6Very low29.4Very low104 Ų104144.4 Ų144.473%0.72782%0.822SS**  trans-95.7176.2170.2-39.10000111.1
409P33.7Very low29Very low128 Ų128145.6 Ų145.683%0.83182%0.823SS**  cis-121.4165.5-37.836.7-24.2000111.4
410S26.5Very low29.1Very low106 Ų106149.2 Ų149.274%0.74183%0.825SS**  trans-134.1128.2168.653.90000111.8
411Q28.2Very low29.2Very low198 Ų198153.3 Ų153.393%0.92583%0.828SS**  trans-72.7129.1176-58171.32300109.8
412T31.5Very low29.3Very low131 Ų131152.4 Ų152.480%0.80483%0.828SS**  trans-139132.1171.350.60000112.1
413T26.3Very low29.3Very low140 Ų140152.8 Ų152.886%0.85983%0.83SS**  trans-74.6158.6-175.6-240000112.4T415T413-T415 PolarHBondContact O-N 2.72Å
414L26.8Very low29.2Very low168 Ų168154.7 Ų154.788%0.8884%0.835SS**  trans-54.3126.8-179.4-76.7164.1000114
415T28Very low29.2Very low131 Ų131154.6 Ų154.680%0.80484%0.844SS**  trans-124.1119.2153.4-36.10000108T413 L417T413-T415 PolarHBondContact O-N 2.72Å; T415-L417 PolarHBondContact O-N 2.97Å
416S32Very low29.2Very low110 Ų110152.6 Ų152.677%0.76984%0.844SS**  trans-69.1118.8-177.9-60.90000111.7
417L31.4Very low29.2Very low162 Ų162155.8 Ų155.885%0.84885%0.849SS**  trans-131.6155.8160-72.9176.6000110.1T415T415-L417 PolarHBondContact O-N 2.97Å
418F31.6Very low29.4Very low246 Ų246147.6 Ų147.6100%1.07984%0.842SS**  trans-80.30-154.9-78.4-103.8000115

Retrieved 418 of 418 residues in 179.3 ms (Link to these results)