A0A077ZDY2_TRITR Loading...

I-set domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDY2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 525 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M32.3Very low34.3Very low223 Ų223119.8 Ų119.8100%1.09966%0.658SS**  0109.90-68.8-153.5-78.500107.4
2A30.8Very low34.5Very low93 Ų93113.4 Ų113.477%0.76964%0.64SS**  trans-82.9114175.200000108.2
3A36.1Very low34.7Very low67 Ų67111.4 Ų111.455%0.55464%0.638SS**  trans-89.5119.7166.200000107.3
4S35.4Very low34.9Very low80 Ų80114.9 Ų114.956%0.55966%0.661SS**EExtended strand (participates in β ladder)trans-89.8116.7171.4-66.80000108.4L25S4-L25 PolarHBondContact O-N 3.31Å
5I38.7Very low35Very low107 Ų107112.5 Ų112.555%0.54967%0.672SS.*EExtended strand (participates in β ladder)trans-88.8112.2171.2-59.6173.6000106.8V22I5-V22 HydrophobicContact CG2-CG1 4.15Å
6M35.1Very low35.1Very low129 Ų129114.2 Ų114.264%0.63567%0.671SS**EExtended strand (participates in β ladder)trans-97.9116.3170.3-81.1-71.5-124.200108.6S23M6-S23 PolarHBondContact N-O 2.9Å; M6-S23 VanDerWaalsContact N-O 3.12Å; M6-S23 PolarHBondContact O-N 2.93Å; M6-S23 VanDerWaalsContact O-N 3.1Å
7L33.6Very low35Very low119 Ų119113.1 Ų113.162%0.62367%0.668SS**EExtended strand (participates in β ladder)trans-92.7107.1169-90.4140.7000108.2V22L7-V22 HydrophobicContact CD2-CG2 4.2Å
8S33.5Very low35Very low54 Ų54110.9 Ų110.938%0.37866%0.657SS.*EExtended strand (participates in β ladder)trans-101.1121.9172.943.70000109.8V21S8-V21 PolarHBondContact N-O 3.39Å
9I34.6Very low35.1Very low128 Ų128108.4 Ų108.466%0.65665%0.65SS**EExtended strand (participates in β ladder)trans-87.7113.2175.2-57.6170.7000107.8
10C32.6Very low35.1Very low73 Ų73110.3 Ų110.349%0.49365%0.646SS.*EExtended strand (participates in β ladder)trans-88.3115.1168.4-69.40000108.4G12C10-G12 PolarHBondContact O-N 3.23Å; C10-G12 VanDerWaalsContact O-N 3.15Å
11R34.5Very low35.2Very low245 Ų245107.5 Ų107.593%0.92563%0.63SS**  trans-67.9109.8170.5-83.9-177.3173.6170.7-1.9108.5
12G37.5Very low35.3Very low43 Ų43100.1 Ų100.144%0.44360%0.598SS.*  trans-66154.6167.100000111.3C10C10-G12 PolarHBondContact O-N 3.23Å; C10-G12 VanDerWaalsContact O-N 3.15Å
13S36.7Very low35.5Very low87 Ų8797.6 Ų97.661%0.60857%0.574SS**  trans-58.1151.2170.242.10000111.5G15 Q16S13-G15 PolarHBondContact O-N 3.41Å; S13-G15 VanDerWaalsContact O-N 3.16Å; S13-Q16 PolarHBondContact O-N 2.94Å
14V36.7Very low35.5Very low160 Ų16097.9 Ų97.997%0.9757%0.569SS**THydrogen-bonded Turntrans-45.5118.6-178.9-178.50000110.8
15G37.8Very low35.6Very low79 Ų7999 Ų9981%0.81457%0.568SS**THydrogen-bonded Turntrans112.7-7.1176.300000116.5S13S13-G15 PolarHBondContact O-N 3.41Å; S13-G15 VanDerWaalsContact O-N 3.16Å
16Q35.1Very low35.5Very low140 Ų14098.3 Ų98.365%0.65457%0.565SS**SBendtrans-110.7144.2175.5-74.5-179.7-30.700112.9S13S13-Q16 PolarHBondContact O-N 2.94Å
17P33.6Very low35.4Very low96 Ų9699.3 Ų99.362%0.62357%0.572SS**PPolyproline II helixtrans-63.214917226.7-32.6000110.8A19P17-A19 PolarHBondContact O-N 3.31Å
18P36.4Very low35.7Very low73 Ų7397.2 Ų97.247%0.47457%0.565SS.*PPolyproline II helixtrans-63.1127.7-178.225.3-33.2000111.4Y20P18-Y20 HydrophobicContact CG-CE2 4.47Å
19A35.5Very low35.7Very low63 Ų63100.3 Ų100.352%0.52158%0.582SS.*EExtended strand (participates in β ladder)trans-86.4133.8170.100000110.2P17P17-A19 PolarHBondContact O-N 3.31Å
20Y36.2Very low35.7Very low147 Ų147104.3 Ų104.358%0.57659%0.59SS**EExtended strand (participates in β ladder)trans-101.1125.7178.3-59.4-86.4000109.8P18P18-Y20 HydrophobicContact CG-CE2 4.47Å
21V36.8Very low35.7Very low52 Ų52112.3 Ų112.332%0.31561%0.61SS.*EExtended strand (participates in β ladder)trans-110115.3172-177.50000108.3S8S8-V21 PolarHBondContact N-O 3.39Å
22V34.1Very low35.4Very low68 Ų68105.9 Ų105.941%0.41260%0.601SS.*EExtended strand (participates in β ladder)trans-95.5112.2175.8-176.70000108.3I5 L7 V24I5-V22 HydrophobicContact CG2-CG1 4.15Å; L7-V22 HydrophobicContact CD2-CG2 4.2Å; V22-V24 HydrophobicContact CG1-CG2 4.22Å
23S36Very low35.2Very low40 Ų40114.7 Ų114.728%0.2862%0.621SS.*EExtended strand (participates in β ladder)trans-101.9110.6176.3-52.50000109.1M6M6-S23 PolarHBondContact N-O 2.9Å; M6-S23 VanDerWaalsContact N-O 3.12Å; M6-S23 PolarHBondContact O-N 2.93Å; M6-S23 VanDerWaalsContact O-N 3.1Å
24V35.4Very low35.2Very low73 Ų73114.2 Ų114.244%0.44262%0.618SS.*EExtended strand (participates in β ladder)trans-95.8104.9172.9-173.70000108.6V22 I26V22-V24 HydrophobicContact CG1-CG2 4.22Å; V24-I26 HydrophobicContact CG1-CG1 3.9Å; V24-I26 PolarHBondContact O-N 3.39Å
25L36.7Very low35.1Very low103 Ų103111 Ų11154%0.53960%0.598SS.*EExtended strand (participates in β ladder)trans-83.5101.5171.1-104128.7000108.7S4S4-L25 PolarHBondContact O-N 3.31Å
26I37.1Very low34.7Very low92 Ų92110.3 Ų110.347%0.47259%0.585SS.*  trans-86.9111.2169.4-54178.6000106.7V24 T28V24-I26 HydrophobicContact CG1-CG1 3.9Å; V24-I26 PolarHBondContact O-N 3.39Å; I26-T28 HydrophobicContact CG2-CG2 3.77Å; I26-T28 PolarHBondContact O-N 2.92Å
27N33.1Very low34.7Very low150 Ų150108.7 Ų108.780%0.80258%0.584SS**  trans-75.368.5171.9-16312.6000109.5
28T39.4Very low34.7Very low75 Ų75107.6 Ų107.646%0.4658%0.579SS.*  trans-103.9126.5160.446.70000106.4I26 Y30I26-T28 HydrophobicContact CG2-CG2 3.77Å; I26-T28 PolarHBondContact O-N 2.92Å; T28-Y30 PolarHBondContact O-N 3.29Å
29T34.4Very low34.6Very low119 Ų119108 Ų10873%0.7359%0.589SS**SBendtrans-42133.3158.941.30000107.8
30Y33.4Very low34.5Very low213 Ų213110.4 Ų110.484%0.83559%0.593SS**SBendtrans89.897.4-172-47.5-73.1000117T28T28-Y30 PolarHBondContact O-N 3.29Å
31R32.9Very low34.4Very low240 Ų240110.9 Ų110.991%0.90661%0.605SS**  trans57.3110.9156.3-65.5-176.7178.7178.7-0.3118R33R31-R33 PolarHBondContact O-N 3.46Å
32C28.6Very low34.2Very low111 Ų111112.5 Ų112.575%0.7563%0.632SS**  trans-51.5120.2163.2-81.30000111.3
33R34.1Very low34.2Very low228 Ų228116.4 Ų116.486%0.8665%0.646SS**  trans-109.6108.3160.2-90.8-179.2170.6179.3-2.9107.5R31R31-R33 PolarHBondContact O-N 3.46Å
34S35.2Very low34Very low76 Ų76122.2 Ų122.253%0.53167%0.673SS.*  trans-89.2131163.131.60000108.9
35V35Very low33.8Very low93 Ų93125.2 Ų125.256%0.56469%0.686SS**  trans-110.4119.1172.2-179.50000106.4V37V35-V37 HydrophobicContact CG1-CG2 4.03Å
36A31Very low33.6Very low64 Ų64132.2 Ų132.253%0.52971%0.705SS.*  trans-92.9128.7169.400000108.3
37V33.5Very low33.3Very low106 Ų106132.7 Ų132.764%0.64271%0.713SS**  trans-119.4119.9172.4-174.60000106.8V35V35-V37 HydrophobicContact CG1-CG2 4.03Å
38S34.1Very low33.1Very low74 Ų74129.2 Ų129.252%0.51771%0.712SS.*  trans-89.1122172.1178.90000108.7N40S38-N40 PolarHBondContact O-N 2.85Å; S38-N40 VanDerWaalsContact O-N 3.13Å
39A34.4Very low32.6Very low82 Ų82130.9 Ų130.968%0.67873%0.725SS**SBendtrans-83.573.7168.300000108.7
40N33Very low32.4Very low113 Ų113130.5 Ų130.560%0.60473%0.728SS**SBendtrans-161.6121.4159.2-90.6-16.7000106.8S38S38-N40 PolarHBondContact O-N 2.85Å; S38-N40 VanDerWaalsContact O-N 3.13Å
41D34.6Very low32.1Very low156 Ų156129.9 Ų129.983%0.83473%0.732SS**THydrogen-bonded Turntrans6433.3168.8-57.8-22.5000119.8Q43D41-Q43 PolarHBondContact O-N 2.87Å
42G33.3Very low31.9Very low86 Ų86123.5 Ų123.589%0.88773%0.725SS**THydrogen-bonded Turntrans61.19.6159.200000116.8
43Q32.5Very low31.8Very low151 Ų151128.2 Ų128.271%0.70673%0.733SS**  trans-98.3117.2179.7-75.6-168.3100111.8D41 L45D41-Q43 PolarHBondContact O-N 2.87Å; Q43-L45 PolarHBondContact O-N 3.48Å
44L33.4Very low31.4Very low162 Ų162124.8 Ų124.885%0.84873%0.73SS**  trans-73.4105.7169.1-101.3142.9000110.1
45L30.7Very low31Very low135 Ų135126.4 Ų126.471%0.70774%0.739SS**PPolyproline II helixtrans-80128.2170.3-71.9166.4000110.5Q43Q43-L45 PolarHBondContact O-N 3.48Å
46R32.3Very low30.6Very low251 Ų251130.5 Ų130.595%0.94775%0.749SS**PPolyproline II helixtrans-57.7138.2-178.9-90.4-177.7177.3-174.60.1112.6
47T31.3Very low30.2Very low102 Ų102133 Ų13363%0.62676%0.763SS**PPolyproline II helixtrans-88.6136.2176.6510000112.5
48G29.1Very low29.7Very low77 Ų77136.6 Ų136.679%0.79477%0.77SS**  trans-141.2117.8167.800000110.1
49C28.2Very low29.1Very low109 Ų109138.9 Ų138.974%0.73679%0.786SS**  trans-89.8120.5175.2-79.80000110.4
50S29.9Very low28.7Very low112 Ų112141.1 Ų141.178%0.78379%0.792SS**  trans-113.6127163.2158.10000108.3S52S50-S52 PolarHBondContact O-N 3.25Å
51Q27.7Very low28.2Very low199 Ų199140.9 Ų140.993%0.9380%0.799SS**  trans-70119.7-179.5-66-176.3-8.700110.7
52S29.1Very low27.8Very low106 Ų106142.1 Ų142.174%0.74180%0.799SS**  trans-144.7120.8160.958.60000111.3S50S50-S52 PolarHBondContact O-N 3.25Å
53K25Very low27.5Very low211 Ų211144.9 Ų144.992%0.91780%0.799SS**  trans-52.6132.6173.7-67.8167.2173.1174.80111.4
54L27.2Very low27.2Very low156 Ų156142.3 Ų142.382%0.81780%0.804SS**  trans-135.1139.5152.3-89165.9000109.2
55P26.2Very low27Very low109 Ų109139.3 Ų139.371%0.70880%0.803SS**  trans-93.2125.9-170.635.1-28.9000111.2
56F26.8Very low27Very low179 Ų179138.5 Ų138.579%0.78581%0.805SS**  trans-138.7113156.2-79.3-77.3000108.7F58F56-F58 HydrophobicContact CB-CE2 4.13Å
57S21.7Very low27.1Very low117 Ų117134.3 Ų134.382%0.81880%0.802SS**  trans-76.2121.4168.549.30000109.5
58F24.2Very low27.3Very low181 Ų181138.4 Ų138.479%0.79481%0.814SS**  trans-115.6112.2158.5-71.6-83.1000107.8F56F56-F58 HydrophobicContact CB-CE2 4.13Å
59S21.2Very low27.2Very low122 Ų122146.4 Ų146.485%0.85382%0.82SS**  trans-78.2120.2170.348.10000109.4
60V25.2Very low27.4Very low130 Ų130150.7 Ų150.779%0.78883%0.826SS**  trans-91.4110.7168177.40000107.3Q62V60-Q62 PolarHBondContact O-N 3.47Å
61S23Very low27.5Very low108 Ų108152.3 Ų152.376%0.75583%0.825SS**  trans-77.2111.6169.456.80000109.3
62Q26.7Very low27.8Very low181 Ų181150 Ų15085%0.84682%0.819SS**  trans-79.7116.1164.6-79.1176.8-4.800108.9V60 A64V60-Q62 PolarHBondContact O-N 3.47Å; Q62-A64 PolarHBondContact O-N 3.43Å
63T26.3Very low27.8Very low145 Ų145149.7 Ų149.789%0.8982%0.822SS**  trans-84.4101.8161.938.70000108.3
64A26.6Very low28.2Very low97 Ų97146.8 Ų146.880%0.80282%0.816SS**PPolyproline II helixtrans-99.7123164.600000108.4Q62Q62-A64 PolarHBondContact O-N 3.43Å
65A28.7Very low28.4Very low99 Ų99143.3 Ų143.382%0.81881%0.811SS**PPolyproline II helixtrans-102140.4162.700000108.8
66P31.3Very low28.6Very low117 Ų117144.5 Ų144.576%0.7682%0.821SS**PPolyproline II helixtrans-101.3144.7-159.837.3-29.2000112.5
67D34.8Very low28.8Very low163 Ų163139.4 Ų139.487%0.87282%0.819SS**  -170.6152.8128.5-121.3-29.1000113.4
68Q33.6Very low29.1Very low189 Ų189138.1 Ų138.188%0.88382%0.816SS**  trans87.173.5179.2-54.6-151.8-34.400118.3
69R26.9Very low29.3Very low245 Ų245139.3 Ų139.393%0.92582%0.821SS**  trans-89.7125.1143.8-86.4-178.7174.3173.2-0.8109.4
70K33.3Very low29.7Very low199 Ų199137.2 Ų137.287%0.86581%0.811SS**  trans-171.8135.7134.7-109.8168.5-173.2-179.50111.9
71L32.7Very low29.8Very low145 Ų145137 Ų13776%0.75982%0.815SS**  trans101.8102.3152.7-63.7154.8000118.5
72L32.6Very low30.1Very low152 Ų152138.9 Ų138.980%0.79682%0.816SS**  trans91.389130.1-61.5164.8000117.7
73A29.1Very low30.2Very low98 Ų98140.9 Ų140.981%0.8182%0.816SS**  trans-98.9109.7143.200000108.5
74N34.1Very low30.5Very low150 Ų150140.1 Ų140.180%0.80281%0.813SS**  trans-15095.6152.7-102.4-7.9000104
75A30.9Very low30.6Very low84 Ų84143.2 Ų143.269%0.69482%0.815SS**  88.6137.983.500000111.5
76S32.1Very low30.7Very low133 Ų133145.4 Ų145.493%0.9381%0.813SS**  trans80.3130.7169.979.40000117.1
77G30.3Very low30.7Very low72 Ų72145.9 Ų145.974%0.74282%0.816SS**  trans130.770.215500000116.9
78A28.6Very low30.3Very low91 Ų91147 Ų14775%0.75281%0.813SS**  trans75.1136.3137.500000121
79K27.4Very low30Very low205 Ų205149 Ų14989%0.89181%0.813SS**  trans78.4130.6142-76.2173.5-179.8179.10120.2
80A30.2Very low30Very low78 Ų78144.2 Ų144.265%0.64581%0.81SS**  trans92111.713500000118.3L82A80-L82 HydrophobicContact CB-CD1 4.12Å; A80-L82 PolarHBondContact O-N 3.27Å; A80-L82 VanDerWaalsContact O-N 3.15Å
81S26.7Very low29.7Very low126 Ų126141.2 Ų141.288%0.88181%0.808SS**  trans-36.3110.8144.4176.90000111
82L29Very low29.5Very low148 Ų148140.6 Ų140.678%0.77581%0.81SS**  trans-147.3122.8165-100.4128.3000109.5A80A80-L82 HydrophobicContact CB-CD1 4.12Å; A80-L82 PolarHBondContact O-N 3.27Å; A80-L82 VanDerWaalsContact O-N 3.15Å
83R28.6Very low29.3Very low222 Ų222136 Ų13684%0.83880%0.799SS**  trans-44.2144.4175-60.8171.8-171.1-159.10.5111.3L85R83-L85 PolarHBondContact O-N 3.03Å
84P33.3Very low29.4Very low129 Ų129138 Ų13884%0.83880%0.804SS**  trans-68.7113.5170.329.8-30.3000108.2L86P84-L86 PolarHBondContact O-N 3.47Å
85L28.8Very low29.4Very low162 Ų162136.5 Ų136.585%0.84880%0.801SS**  trans-56.4117.9174.9-74.3154.8000110R83R83-L85 PolarHBondContact O-N 3.03Å
86L30.2Very low29.3Very low145 Ų145136.9 Ų136.976%0.75981%0.813SS**  trans-60.9134.7164.3-76153.9000109.6P84 K88P84-L86 PolarHBondContact O-N 3.47Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.41Å
87P31.2Very low29.3Very low127 Ų127134.4 Ų134.483%0.82580%0.8SS**  trans-7198.8153.929.2-27.1000107.6R89P87-R89 PolarHBondContact O-N 2.9Å
88K27.7Very low29.3Very low187 Ų187140.3 Ų140.381%0.81381%0.808SS**  trans-69.2107.9162.9-73.8179.8175.4-1790108.1L86L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.41Å
89R26Very low29.2Very low232 Ų232143.5 Ų143.588%0.87581%0.81SS**  trans147.8112.1148.8-87.1174.3-173.4-168.12.3110.2P87P87-R89 PolarHBondContact O-N 2.9Å
90V27.4Very low29.4Very low144 Ų144141.8 Ų141.887%0.87381%0.808SS**  trans-133.4122.7146.5179.60000106.6
91V26.7Very low29.4Very low135 Ų135142.9 Ų142.982%0.81880%0.802SS**  trans-72.6139.6-171.6174.60000110.4
92V27.7Very low29.7Very low132 Ų132140.6 Ų140.680%0.878%0.78SS**  trans-116.3127.8179.5178.60000109.8
93G28.7Very low30Very low56 Ų56141 Ų14158%0.57777%0.773SS**  trans61.5155.414600000120.7T95G93-T95 PolarHBondContact O-N 3.44Å; G93-T95 VanDerWaalsContact O-N 3.08Å
94P30.9Very low30.7Very low139 Ų139139.3 Ų139.390%0.90377%0.766SS**SBendtrans-77.78.8-171.5-0.317.8000115.2
95T35.1Very low31Very low120 Ų120140.3 Ų140.374%0.73676%0.757SS**SBendtrans-140.1106.8-179.547.30000109G93 A97G93-T95 PolarHBondContact O-N 3.44Å; G93-T95 VanDerWaalsContact O-N 3.08Å; T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 2.83Å
96G28.4Very low31.8Very low92 Ų92134.2 Ų134.295%0.94873%0.73SS**  trans-72.564.7-170.300000115.1
97A32.2Very low32.6Very low80 Ų80135.7 Ų135.766%0.66173%0.726SS**  trans-115.297168.600000109.9T95 M99T95-A97 VanDerWaalsContact C-N 3.27Å; T95-A97 PolarHBondContact O-N 2.83Å; A97-M99 PolarHBondContact O-N 3.49Å; A97-M99 VanDerWaalsContact O-N 3.1Å
98E30.9Very low33.7Very low197 Ų197133.5 Ų133.592%0.92171%0.712SS**  trans-69.699.1167.5-77.2-168155.300109.5
99M26.1Very low35.2Very low158 Ų158128.8 Ų128.878%0.77870%0.695SS**  trans-92.7109.6162.5-102.6-167.3-81.200109.4A97 I101A97-M99 PolarHBondContact O-N 3.49Å; A97-M99 VanDerWaalsContact O-N 3.1Å; M99-I101 HydrophobicContact CB-CG1 4.3Å; M99-I101 PolarHBondContact O-N 3.42Å
100I30.9Very low36.7Very low168 Ų168125 Ų12586%0.86269%0.685SS**  trans-76.297.4167.9-59.4173.1000107.4
101I31.2Very low38.4Very low101 Ų101123.2 Ų123.252%0.51867%0.666SS.*  trans-90.9120.4174.7-55.9177.9000108.7M99 Y103 A106M99-I101 HydrophobicContact CB-CG1 4.3Å; M99-I101 PolarHBondContact O-N 3.42Å; I101-Y103 PolarHBondContact O-N 2.97Å; I101-A106 HydrophobicContact CG2-CB 3.99Å
102D32.2Very low40Very low78 Ų78123 Ų12342%0.41765%0.654SS.*  trans-53.7125.6172-173.4-14.4000110.4R104 K105 A106D102-R104 PolarHBondContact O-N 3.28Å; D102-R104 PolarHBondContact OD1-N 3.43Å; D102-K105 HydrophobicContact CB-CG 4.47Å; D102-K105 WeakPolarHBondContact O-CA 3.47Å; D102-K105 PolarHBondContact O-N 3.35Å; D102-A106 PolarHBondContact O-N 3Å; D102-A106 VanDerWaalsContact O-N 3.1Å
103Y35.9Very low41.4Very low157 Ų157124 Ų12462%0.61664%0.644SS**Hα-helixtrans-57.5-24.4-176.261.7-85.7000113I101 K105 W107I101-Y103 PolarHBondContact O-N 2.97Å; Y103-K105 VanDerWaalsContact C-N 3.35Å; Y103-W107 PolarHBondContact O-N 3.44Å
104R42.9Very low42.9Very low187 Ų187125 Ų12571%0.70664%0.636SS**Hα-helixtrans-72.7-25.6173.6-65-168.4-174-157.83.3113.4D102D102-R104 PolarHBondContact O-N 3.28Å; D102-R104 PolarHBondContact OD1-N 3.43Å
105K40.3Very low44.1Very low149 Ų149122 Ų12265%0.64861%0.612SS**Hα-helixtrans-93.1-22.2177.2-64-173.7-179.2-178.60113D102 Y103 P108D102-K105 HydrophobicContact CB-CG 4.47Å; D102-K105 WeakPolarHBondContact O-CA 3.47Å; D102-K105 PolarHBondContact O-N 3.35Å; Y103-K105 VanDerWaalsContact C-N 3.35Å; K105-P108 WeakPolarHBondContact O-CD 3.26Å
106A44.5Very low45Very low34 Ų34120.5 Ų120.528%0.28160%0.596SS.*Hα-helixtrans-79.3-25.7176.500000113.8I101 D102 I109 F110I101-A106 HydrophobicContact CG2-CB 3.99Å; D102-A106 PolarHBondContact O-N 3Å; D102-A106 VanDerWaalsContact O-N 3.1Å; A106-I109 PolarHBondContact O-N 3.49Å; A106-F110 WeakPolarHBondContact O-CB 3.26Å; A106-F110 PolarHBondContact O-N 2.96Å
107W48.3Very low46.1Very low176 Ų176118.6 Ų118.667%0.66757%0.572SS**Hα-helixtrans-58.8-47.3-180-107.670.6000114.4Y103 I109 F110 F111Y103-W107 PolarHBondContact O-N 3.44Å; W107-I109 VanDerWaalsContact C-N 3.27Å; W107-I109 PolarHBondContact O-N 3.47Å; W107-F110 PolarHBondContact O-N 3.38Å; W107-F111 WeakPolarHBondContact O-CB 3.24Å; W107-F111 PolarHBondContact O-N 3.11Å
108P54Low47Very low82 Ų82118.9 Ų118.953%0.53256%0.562SS.*Hα-helixtrans-60.7-37.5175.6-21.931.5000112.5K105 F112K105-P108 WeakPolarHBondContact O-CD 3.26Å; P108-F112 VanDerWaalsContact O-CB 3.3Å; P108-F112 WeakPolarHBondContact O-CB 3.5Å; P108-F112 PolarHBondContact O-N 3.35Å
109I59.1Low47.7Very low88 Ų88115.7 Ų115.745%0.45155%0.547SS..Hα-helixtrans-69.5-47.6179.8-59.9172.4000110A106 W107 F111 F112 Y113A106-I109 PolarHBondContact O-N 3.49Å; W107-I109 VanDerWaalsContact C-N 3.27Å; W107-I109 PolarHBondContact O-N 3.47Å; I109-F111 VanDerWaalsContact C-N 3.33Å; I109-F111 PolarHBondContact O-N 2.96Å; I109-F112 WeakPolarHBondContact O-CB 3.32Å; I109-F112 PolarHBondContact O-N 3.42Å; I109-Y113 HydrophobicContact CG2-CD2 3.74Å; I109-Y113 HydrophobicContact CG2-CE2 3.45Å; I109-Y113 VanDerWaalsContact CG2-CE2 3.45Å; I109-Y113 WeakPolarHBondContact O-CD2 3.49Å; I109-Y113 PolarHBondContact O-N 3.33Å
110F56.7Low48.5Very low151 Ų151113.8 Ų113.866%0.66254%0.54SS*.Hα-helixtrans-64.8-37.9177.6-161.6-88.4000111.9A106 W107 Y113 L114A106-F110 WeakPolarHBondContact O-CB 3.26Å; A106-F110 PolarHBondContact O-N 2.96Å; W107-F110 PolarHBondContact O-N 3.38Å; F110-Y113 PolarHBondContact O-N 3.04Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.47Å; F110-L114 PolarHBondContact O-N 3.14Å
111F63.6Low49.2Very low108 Ų108109.5 Ų109.547%0.47452%0.522SS..Hα-helixtrans-67-39.2174.6-172.9-105.4000111.8W107 I109 L114 L115W107-F111 WeakPolarHBondContact O-CB 3.24Å; W107-F111 PolarHBondContact O-N 3.11Å; I109-F111 VanDerWaalsContact C-N 3.33Å; I109-F111 PolarHBondContact O-N 2.96Å; F111-L114 PolarHBondContact O-N 3.46Å; F111-L115 HydrophobicContact CD1-CD1 3.62Å; F111-L115 HydrophobicContact CD1-CG 4.22Å; F111-L115 HydrophobicContact CE1-CD1 3.26Å; F111-L115 HydrophobicContact CE1-CG 3.91Å; F111-L115 HydrophobicContact CZ-CD1 3.89Å; F111-L115 HydrophobicContact CZ-CD2 4.39Å; F111-L115 HydrophobicContact CZ-CG 4.1Å; F111-L115 WeakPolarHBondContact O-CB 3.46Å; F111-L115 WeakPolarHBondContact O-CG 3.31Å; F111-L115 PolarHBondContact O-N 2.89Å
112F60.4Low49.7Very low130 Ų130112.7 Ų112.757%0.5753%0.534SS*.Hα-helixtrans-61-48.4172.9-171.7-91.6000111.1P108 I109 L114 L115 Q116P108-F112 VanDerWaalsContact O-CB 3.3Å; P108-F112 WeakPolarHBondContact O-CB 3.5Å; P108-F112 PolarHBondContact O-N 3.35Å; I109-F112 WeakPolarHBondContact O-CB 3.32Å; I109-F112 PolarHBondContact O-N 3.42Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 3.09Å; F112-L115 PolarHBondContact O-N 3.03Å; F112-Q116 WeakPolarHBondContact O-CB 3.23Å; F112-Q116 PolarHBondContact O-N 3.49Å
113Y57.5Low50.1Low152 Ų152113.2 Ų113.260%0.59655%0.545SS*.Hα-helixtrans-64.1-34.5175.5-75.9-65.9000113.4I109 F110 A117I109-Y113 HydrophobicContact CG2-CD2 3.74Å; I109-Y113 HydrophobicContact CG2-CE2 3.45Å; I109-Y113 VanDerWaalsContact CG2-CE2 3.45Å; I109-Y113 WeakPolarHBondContact O-CD2 3.49Å; I109-Y113 PolarHBondContact O-N 3.33Å; F110-Y113 PolarHBondContact O-N 3.04Å; Y113-A117 VanDerWaalsContact O-CB 3.32Å; Y113-A117 WeakPolarHBondContact O-CB 3.07Å; Y113-A117 PolarHBondContact O-N 2.9Å
114L59.4Low51Low78 Ų78113.9 Ų113.941%0.40855%0.546SS..Hα-helixtrans-69.3-40.6175.2-168.380.1000111.6F110 F111 F112 A117 L118F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.47Å; F110-L114 PolarHBondContact O-N 3.14Å; F111-L114 PolarHBondContact O-N 3.46Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 2.98Å; L114-L118 HydrophobicContact CG-CD1 4.3Å; L114-L118 WeakPolarHBondContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CG 2.97Å; L114-L118 PolarHBondContact O-N 2.88Å
115L55.9Low51.9Low75 Ų75109.5 Ų109.539%0.39354%0.544SS..Hα-helixtrans-63.6-44172.8-82.7173.3000110.9F111 F112 A117 L118 E119F111-L115 HydrophobicContact CD1-CD1 3.62Å; F111-L115 HydrophobicContact CD1-CG 4.22Å; F111-L115 HydrophobicContact CE1-CD1 3.26Å; F111-L115 HydrophobicContact CE1-CG 3.91Å; F111-L115 HydrophobicContact CZ-CD1 3.89Å; F111-L115 HydrophobicContact CZ-CD2 4.39Å; F111-L115 HydrophobicContact CZ-CG 4.1Å; F111-L115 WeakPolarHBondContact O-CB 3.46Å; F111-L115 WeakPolarHBondContact O-CG 3.31Å; F111-L115 PolarHBondContact O-N 2.89Å; F112-L115 PolarHBondContact O-N 3.03Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.47Å; L115-L118 CarbonylContact O-C 3.51Å; L115-L118 WeakPolarHBondContact O-CA 3.25Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 2.97Å; L115-E119 PolarHBondContact O-N 2.96Å
116Q55.1Low53.8Low89 Ų89105.3 Ų105.342%0.41653%0.531SS..Hα-helixtrans-61.1-40.9175.6-137.6174-15.100111.3F112 L118 E119 D120F112-Q116 WeakPolarHBondContact O-CB 3.23Å; F112-Q116 PolarHBondContact O-N 3.49Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 2.89Å; Q116-E119 PolarHBondContact O-N 2.99Å; Q116-D120 PolarHBondContact O-N 2.77Å
117A51.7Low55.7Low53 Ų53109.4 Ų109.444%0.43854%0.542SS..Hα-helixtrans-67.7-31.3173.800000113.1Y113 L114 L115 T121Y113-A117 VanDerWaalsContact O-CB 3.32Å; Y113-A117 WeakPolarHBondContact O-CB 3.07Å; Y113-A117 PolarHBondContact O-N 2.9Å; L114-A117 PolarHBondContact O-N 2.98Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.47Å; A117-T121 WeakPolarHBondContact O-CG2 3.32Å; A117-T121 PolarHBondContact O-N 3.43Å
118L49.9Very low57.7Low86 Ų86106 Ų10645%0.4553%0.534SS..Hα-helixtrans-75.3-38.3174.9-78.2161.9000111.8L114 L115 Q116 D120 T121 Q122L114-L118 HydrophobicContact CG-CD1 4.3Å; L114-L118 WeakPolarHBondContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CG 2.97Å; L114-L118 PolarHBondContact O-N 2.88Å; L115-L118 CarbonylContact O-C 3.51Å; L115-L118 WeakPolarHBondContact O-CA 3.25Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 2.97Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 2.89Å; L118-D120 VanDerWaalsContact C-N 3.34Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-N 3.47Å; L118-T121 VanDerWaalsContact O-N 3.08Å; L118-T121 PolarHBondContact O-OG1 2.98Å; L118-Q122 PolarHBondContact O-N 3.4Å
119E46Very low59.5Low129 Ų129104.7 Ų104.760%0.60352%0.522SS*.Hα-helixtrans-62.9-40170.9-95.8166.514900111.5L115 Q116 T121 Q122 S123L115-E119 PolarHBondContact O-N 2.96Å; Q116-E119 PolarHBondContact O-N 2.99Å; E119-T121 PolarHBondContact O-N 3.04Å; E119-Q122 PolarHBondContact O-N 2.7Å; E119-Q122 VanDerWaalsContact O-N 3.11Å; E119-S123 PolarHBondContact O-N 2.85Å
120D43.4Very low61Low119 Ų119104.2 Ų104.264%0.63652%0.52SS*.Hα-helixtrans-63.6-28.4171.3-85.5-19000112.7Q116 L118Q116-D120 PolarHBondContact O-N 2.77Å; L118-D120 VanDerWaalsContact C-N 3.34Å
121T44.7Very low62.7Low78 Ų7897.1 Ų97.148%0.47949%0.489SS..Hα-helixtrans-76.9-29.1172.358.20000113.7A117 L118 E119 S123A117-T121 WeakPolarHBondContact O-CG2 3.32Å; A117-T121 PolarHBondContact O-N 3.43Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-N 3.47Å; L118-T121 VanDerWaalsContact O-N 3.08Å; L118-T121 PolarHBondContact O-OG1 2.98Å; E119-T121 PolarHBondContact O-N 3.04Å; T121-S123 VanDerWaalsContact C-N 3.35Å
122Q42.7Very low64Low167 Ų16794.5 Ų94.578%0.7848%0.483SS*.Hα-helixtrans-77.1-22.5175-114.9178-10.400112.5L118 E119L118-Q122 PolarHBondContact O-N 3.4Å; E119-Q122 PolarHBondContact O-N 2.7Å; E119-Q122 VanDerWaalsContact O-N 3.11Å
123S40.7Very low65.3Low90 Ų9092 Ų9263%0.62947%0.473SS*.THydrogen-bonded Turntrans-98.725.6173.2-177.10000113.8E119 T121 S125E119-S123 PolarHBondContact O-N 2.85Å; T121-S123 VanDerWaalsContact C-N 3.35Å; S123-S125 PolarHBondContact O-N 2.74Å
124R55.1Low66.6Low170 Ų17089.6 Ų89.664%0.64248%0.478SS*.  trans-73.883.4162.6-85.5-176.7175-179.6-0.4108.8V126R124-V126 PolarHBondContact O-N 2.73Å
125S61.5Low68Low95 Ų9588.3 Ų88.366%0.66447%0.474SS*.  trans-58.699.4176.665.30000109.3S123 K127S123-S125 PolarHBondContact O-N 2.74Å; S125-K127 PolarHBondContact O-N 3.08Å; S125-K127 VanDerWaalsContact O-N 3.1Å
126V78.8Confident69.6Low62 Ų6288.6 Ų88.638%0.37648%0.482SS..PPolyproline II helixtrans-60.4116.1170.61770000106.3R124 E128 V215 R217R124-V126 PolarHBondContact O-N 2.73Å; V126-E128 PolarHBondContact O-N 2.9Å; V126-E128 VanDerWaalsContact O-N 3.16Å; V126-V215 HydrophobicContact CG1-CG1 4.19Å; V126-R217 HydrophobicContact CG1-CB 3.57Å
127K85.4Confident71.2Confident119 Ų11985.3 Ų85.352%0.51747%0.468SS..EExtended strand (participates in β ladder)trans-69.9116.8-178.7-176.9176.9-179178.70108.1S125 V215 V216 R217S125-K127 PolarHBondContact O-N 3.08Å; S125-K127 VanDerWaalsContact O-N 3.1Å; K127-V215 PolarHBondContact N-O 2.92Å; K127-V216 HydrophobicContact CB-CG2 4.49Å; K127-V216 CarbonylContact O-C 3.59Å; K127-V216 WeakPolarHBondContact O-CA 3.41Å; K127-V216 WeakPolarHBondContact O-CG1 3.41Å; K127-R217 PolarHBondContact O-N 2.73Å
128E89.6Confident73Confident106 Ų10685.8 Ų85.850%0.49547%0.468SS..EExtended strand (participates in β ladder)trans-82.7132.8173.7-60-152.7152.700110.4V126 R217 R219V126-E128 PolarHBondContact O-N 2.9Å; V126-E128 VanDerWaalsContact O-N 3.16Å; E128-R217 CarbonylContact C-O 3.53Å; E128-R217 WeakPolarHBondContact CA-O 3.08Å; E128-R217 HydrophobicContact CG-CB 4.48Å; E128-R219 IonicContact OE2-NH1 3.28Å
129L91.6Very high74.8Confident54 Ų5482.2 Ų82.228%0.28345%0.45SS..EExtended strand (participates in β ladder)trans-122.2114.9175-179.963.9000108.9V137 L139 V216 R217 V218 R219L129-V137 HydrophobicContact CD2-CG1 3.5Å; L129-V137 VanDerWaalsContact CD2-CG1 3.5Å; L129-V137 HydrophobicContact CD2-CG2 4.42Å; L129-L139 HydrophobicContact CD2-CD2 3.95Å; L129-V216 HydrophobicContact CB-CG1 4.04Å; L129-R217 PolarHBondContact N-O 2.83Å; L129-V218 HydrophobicContact CD2-CG2 4.46Å; L129-V218 WeakPolarHBondContact O-CA 3.49Å; L129-R219 PolarHBondContact O-N 3.37Å
130L92.5Very high76.7Confident78 Ų7878.9 Ų78.941%0.40844%0.44SS..EExtended strand (participates in β ladder)trans-87.1123.7173.8-61.4-174.4000109.2R219 V221 F252L130-R219 WeakPolarHBondContact CA-O 3.4Å; L130-R219 HydrophobicContact CD2-CB 3.87Å; L130-V221 HydrophobicContact CB-CG1 3.75Å; L130-V221 HydrophobicContact CD1-CG1 4.29Å; L130-V221 HydrophobicContact CD2-CG1 3.88Å; L130-V221 HydrophobicContact CG-CG1 4.17Å; L130-F252 HydrophobicContact CD2-CE1 4.05Å
131A92.1Very high78.7Confident2 Ų273.7 Ų73.72%0.01741%0.413CS..EExtended strand (participates in β ladder)trans-132.4123.2-176.600000111V137 L196 V218 R219 I220 V221A131-V137 HydrophobicContact CB-CG2 3.56Å; A131-L196 HydrophobicContact CB-CD1 3.5Å; A131-V218 HydrophobicContact CB-CG1 4.46Å; A131-R219 PolarHBondContact N-O 3.04Å; A131-I220 HydrophobicContact CB-CD1 4.25Å; A131-I220 CarbonylContact O-C 3.57Å; A131-I220 VanDerWaalsContact O-CA 3.25Å; A131-I220 WeakPolarHBondContact O-CA 3.23Å; A131-V221 PolarHBondContact O-N 2.97Å
132P91Very high80.4Confident52 Ų5275.9 Ų75.934%0.33842%0.416SS..EExtended strand (participates in β ladder)trans-63.3147.8-178.4-19.730.2000112.7T135 V221P132-T135 HydrophobicContact CB-CG2 3.76Å; P132-T135 HydrophobicContact CG-CG2 4.14Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 PolarHBondContact O-N 2.84Å; P132-T135 PolarHBondContact O-OG1 2.72Å; P132-V221 CarbonylContact C-O 3.6Å; P132-V221 VanDerWaalsContact CA-CG2 3.48Å; P132-V221 VanDerWaalsContact CA-O 3.31Å; P132-V221 WeakPolarHBondContact CA-O 3.28Å; P132-V221 HydrophobicContact CB-CG2 4.03Å; P132-V221 HydrophobicContact CG-CG2 3.87Å
133Q87.3Confident82Confident77 Ų7768.7 Ų68.736%0.3638%0.384SS..THydrogen-bonded Turntrans-53.6149.3171.3-168.5174.86.100110.6T135 L196 I220 V221Q133-T135 PolarHBondContact O-N 3.38Å; Q133-L196 WeakPolarHBondContact CG-O 3.22Å; Q133-I220 HydrophobicContact CB-CG2 4.09Å; Q133-V221 PolarHBondContact N-O 3.13Å
134S85.1Confident83.2Confident102 Ų10269.2 Ų69.271%0.71338%0.379SS*.THydrogen-bonded Turntrans60.45.9-176.565.40000116.5L196S134-L196 PolarHBondContact N-O 2.96Å
135T87.8Confident83.6Confident52 Ų5267.7 Ų67.732%0.31938%0.383SS..  trans-87.2176.9169.968.70000111.8P132 Q133 G195 L196P132-T135 HydrophobicContact CB-CG2 3.76Å; P132-T135 HydrophobicContact CG-CG2 4.14Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 PolarHBondContact O-N 2.84Å; P132-T135 PolarHBondContact O-OG1 2.72Å; Q133-T135 PolarHBondContact O-N 3.38Å; T135-G195 CarbonylContact O-C 3.55Å; T135-G195 WeakPolarHBondContact O-CA 3.39Å; T135-G195 PolarHBondContact O-N 2.9Å; T135-G195 VanDerWaalsContact O-N 3.1Å; T135-L196 WeakPolarHBondContact O-CG 3.34Å; T135-L196 PolarHBondContact O-N 2.75Å
136S88.9Confident83.7Confident81 Ų8168 Ų6857%0.56638%0.376SS*.  trans-118.8147.8171.956.70000111.1L193S136-L193 CarbonylContact C-O 3.51Å; S136-L193 WeakPolarHBondContact CA-O 3.4Å; S136-L193 WeakPolarHBondContact CB-O 3.28Å
137V89.4Confident82.8Confident19 Ų1971.5 Ų71.512%0.11540%0.396CS..EExtended strand (participates in β ladder)trans-131.5136.5178.9165.80000109.2L129 A131 L139 Q192 L193 L196L129-V137 HydrophobicContact CD2-CG1 3.5Å; L129-V137 VanDerWaalsContact CD2-CG1 3.5Å; L129-V137 HydrophobicContact CD2-CG2 4.42Å; A131-V137 HydrophobicContact CB-CG2 3.56Å; V137-L139 HydrophobicContact CG1-CD2 3.89Å; V137-L139 HydrophobicContact CG1-CG 4.21Å; V137-Q192 WeakPolarHBondContact O-CA 3.42Å; V137-L193 PolarHBondContact N-O 3.36Å; V137-L193 PolarHBondContact O-N 3.04Å; V137-L196 HydrophobicContact CB-CD1 4.24Å; V137-L196 HydrophobicContact CG2-CD1 3.69Å
138S89.3Confident81.9Confident63 Ų6371.6 Ų71.644%0.44140%0.403SS..EExtended strand (participates in β ladder)trans-109.4125.3172.4-58.20000109.9L191 Q192S138-L191 CarbonylContact C-O 3.59Å; S138-L191 WeakPolarHBondContact CA-O 3.44Å; S138-Q192 PolarHBondContact OG-NE2 3.39Å
139L89.1Confident80.9Confident12 Ų1275.1 Ų75.16%0.06342%0.416CS..EExtended strand (participates in β ladder)trans-106130.9175.3-59.1179.1000109.2L129 V137 W155 L190 L191 F204 V216 V218L129-L139 HydrophobicContact CD2-CD2 3.95Å; V137-L139 HydrophobicContact CG1-CD2 3.89Å; V137-L139 HydrophobicContact CG1-CG 4.21Å; L139-W155 HydrophobicContact CB-CH2 3.58Å; L139-W155 HydrophobicContact CB-CZ2 4.38Å; L139-W155 HydrophobicContact CB-CZ3 3.91Å; L139-W155 HydrophobicContact CD1-CZ3 4.38Å; L139-W155 VanDerWaalsContact O-CZ2 3.29Å; L139-W155 WeakPolarHBondContact O-CZ2 3.41Å; L139-L190 WeakPolarHBondContact O-CA 3.38Å; L139-L190 WeakPolarHBondContact O-CD2 3.43Å; L139-L191 HydrophobicContact CB-CB 4.35Å; L139-L191 HydrophobicContact CD1-CD2 4.27Å; L139-L191 PolarHBondContact N-O 2.92Å; L139-L191 PolarHBondContact O-N 3.34Å; L139-F204 HydrophobicContact CD1-CB 3.58Å; L139-F204 HydrophobicContact CD1-CD1 4.18Å; L139-F204 HydrophobicContact CD1-CD2 4.35Å; L139-F204 HydrophobicContact CD1-CG 3.79Å; L139-V216 HydrophobicContact CD2-CG1 4.18Å; L139-V218 HydrophobicContact CD1-CG2 4.18Å
140S84.9Confident80.1Confident58 Ų5872.8 Ų72.841%0.40641%0.405SS..EExtended strand (participates in β ladder)trans-100.1137.1173.544.30000110.5K142S140-K142 PolarHBondContact O-N 3.44Å; S140-K142 WeakPolarHBondContact OG-CE 3.49Å
141C84.9Confident79.3Confident10 Ų1076.1 Ų76.17%0.06842%0.418CS..  trans-73.8113.3175.5-174.80000109.7P143 A153 W155 C206C141-P143 WeakPolarHBondContact O-CD 3.25Å; C141-A153 HydrophobicContact CB-CB 3.68Å; C141-W155 HydrophobicContact CB-CH2 4.35Å; C141-W155 HydrophobicContact CB-CZ2 3.93Å; C141-C206 WeakPolarHBondContact CA-SG 3.39Å; C141-C206 HydrophobicContact CB-CB 3.79Å; C141-C206 WeakPolarHBondContact CB-SG 3.26Å; C141-C206 WeakPolarHBondContact SG-CB 3.19Å; C141-C206 CovalentContact SG-SG 2.03Å; C141-C206 PolarHBondContact SG-SG 3.47Å
142K81.2Confident78.9Confident124 Ų12479 Ų7954%0.53944%0.438SS..  trans-116.990.7177.7-62.8-173.4-177.6-171.80109.8S140 G213 Q214S140-K142 PolarHBondContact O-N 3.44Å; S140-K142 WeakPolarHBondContact OG-CE 3.49Å; K142-G213 WeakPolarHBondContact O-CA 3.49Å; K142-Q214 PolarHBondContact O-N 2.8Å
143P76.5Confident78.7Confident17 Ų1776.5 Ų76.511%0.1142%0.422CS..BIsolated β-bridgetrans-58139.3171.8-19.332.9000111C141 L145 M146 C208 V211C141-P143 WeakPolarHBondContact O-CD 3.25Å; P143-L145 VanDerWaalsContact C-N 3.27Å; P143-L145 PolarHBondContact O-N 3.23Å; P143-M146 HydrophobicContact CB-CG 3.77Å; P143-M146 HydrophobicContact CG-CE 3.65Å; P143-M146 HydrophobicContact CG-CG 3.83Å; P143-M146 HydrophobicContact CG-SD 4.43Å; P143-C208 HydrophobicContact CG-CB 3.95Å; P143-V211 HydrophobicContact CB-CB 4.26Å; P143-V211 HydrophobicContact CB-CG1 3.88Å
144L65.8Low78.8Confident100 Ų10075.3 Ų75.352%0.52442%0.422SS..SBendtrans-70-25.3-176.8-65171.4000112.9Q214L144-Q214 HydrophobicContact CD2-CB 4.47Å
145L62.1Low79.1Confident139 Ų13970.8 Ų70.873%0.72839%0.389SS*.SBendtrans-132.790.1178.3-68.6164.1000107.9P143P143-L145 VanDerWaalsContact C-N 3.27Å; P143-L145 PolarHBondContact O-N 3.23Å
146M63.8Low79.2Confident102 Ų10269.7 Ų69.750%0.50238%0.38SS..  trans-91.1106.1176.4-84.7-168.8146.700110.2P143 C150P143-M146 HydrophobicContact CB-CG 3.77Å; P143-M146 HydrophobicContact CG-CE 3.65Å; P143-M146 HydrophobicContact CG-CG 3.83Å; P143-M146 HydrophobicContact CG-SD 4.43Å; M146-C150 HydrophobicContact CE-CB 3.62Å
147V59.7Low79.3Confident134 Ų13467.9 Ų67.981%0.81236%0.362SS*.SBendtrans-91.2-27.2167-173.70000110.8
148N66.6Low79.4Confident122 Ų12270.9 Ų70.965%0.65238%0.378SS*.SBendtrans-134.9155.8-177.5-70.5-32.2000111.3C150N148-C150 PolarHBondContact O-N 2.79Å
149K70Confident79.2Confident179 Ų17970.5 Ų70.578%0.77838%0.384SS*.  trans-59.8129.8173-67.2-175.8-179.9179.30109.6Q151K149-Q151 PolarHBondContact O-N 2.93Å
150C74.9Confident79.2Confident6 Ų676.9 Ų76.94%0.04141%0.413CS..  trans-64.6124.2176.4179.50000109.9M146 N148 I188 C208M146-C150 HydrophobicContact CE-CB 3.62Å; N148-C150 PolarHBondContact O-N 2.79Å; C150-I188 HydrophobicContact CB-CG2 3.81Å; C150-I188 WeakPolarHBondContact O-CG2 3.5Å; C150-C208 WeakPolarHBondContact CA-SG 3.26Å; C150-C208 HydrophobicContact CB-CB 4.05Å; C150-C208 WeakPolarHBondContact CB-SG 3.49Å; C150-C208 WeakPolarHBondContact SG-CB 3.31Å; C150-C208 CovalentContact SG-SG 2Å; C150-C208 PolarHBondContact SG-SG 2.95Å
151Q76.1Confident79.5Confident148 Ų14878.9 Ų78.969%0.69242%0.423SS*.  trans-95.7-42.3-179.3-71.7-177.5-13.500111.7K149K149-Q151 PolarHBondContact O-N 2.93Å
152S83.1Confident79.6Confident61 Ų6180.6 Ų80.643%0.42743%0.431SS..EExtended strand (participates in β ladder)trans-142143.2173.9630000110.5S165 C208S152-S165 CarbonylContact C-O 3.56Å; S152-S165 WeakPolarHBondContact CA-O 3.37Å; S152-C208 PolarHBondContact O-SG 2.85Å
153A87.1Confident79.8Confident0 Ų076.1 Ų76.10%042%0.42CS..EExtended strand (participates in β ladder)trans-123.9121.4179.500000110.2C141 S164 S165 C206 I207 C208C141-A153 HydrophobicContact CB-CB 3.68Å; A153-S164 CarbonylContact O-C 3.55Å; A153-S164 WeakPolarHBondContact O-CA 3.13Å; A153-S165 PolarHBondContact N-O 3.19Å; A153-S165 PolarHBondContact O-N 2.91Å; A153-S165 PolarHBondContact O-OG 2.83Å; A153-C206 HydrophobicContact CB-CB 4.43Å; A153-I207 WeakPolarHBondContact CA-O 3.25Å; A153-C208 HydrophobicContact CB-CB 4.48Å
154S89.1Confident80.2Confident52 Ų5278.8 Ų78.836%0.36444%0.439SS..EExtended strand (participates in β ladder)trans-85.9125170.8-57.30000109.4F156 C206 I207S154-F156 WeakPolarHBondContact O-CD2 3.29Å; S154-F156 WeakPolarHBondContact O-CE2 3.24Å; S154-C206 CarbonylContact O-C 3.53Å; S154-C206 WeakPolarHBondContact O-CA 3.43Å; S154-I207 PolarHBondContact N-O 3.33Å; S154-I207 PolarHBondContact O-N 2.8Å
155W90.4Very high80.9Confident8 Ų874.1 Ų74.13%0.0342%0.415CS..EExtended strand (participates in β ladder)trans-100.4143.7-176.5-75.197.4000112.5L139 C141 L162 G163 S165 L171 G189 L191 C206L139-W155 HydrophobicContact CB-CH2 3.58Å; L139-W155 HydrophobicContact CB-CZ2 4.38Å; L139-W155 HydrophobicContact CB-CZ3 3.91Å; L139-W155 HydrophobicContact CD1-CZ3 4.38Å; L139-W155 VanDerWaalsContact O-CZ2 3.29Å; L139-W155 WeakPolarHBondContact O-CZ2 3.41Å; C141-W155 HydrophobicContact CB-CH2 4.35Å; C141-W155 HydrophobicContact CB-CZ2 3.93Å; W155-L162 HydrophobicContact CB-CB 4.24Å; W155-L162 HydrophobicContact CB-CD1 4.46Å; W155-L162 PolarHBondContact O-N 3.4Å; W155-G163 PolarHBondContact N-O 3.35Å; W155-S165 PolarHBondContact NE1-OG 2.72Å; W155-L171 HydrophobicContact CB-CD2 4.15Å; W155-L171 HydrophobicContact CG-CD2 4.46Å; W155-G189 WeakPolarHBondContact CZ2-O 3.38Å; W155-L191 HydrophobicContact CB-CD2 4.24Å; W155-L191 HydrophobicContact CD2-CB 3.56Å; W155-L191 HydrophobicContact CD2-CD2 3.75Å; W155-L191 HydrophobicContact CD2-CG 4.25Å; W155-L191 VanDerWaalsContact CE2-CB 3.42Å; W155-L191 HydrophobicContact CE3-CB 4.01Å; W155-L191 HydrophobicContact CE3-CD2 3.57Å; W155-L191 HydrophobicContact CE3-CG 4.45Å; W155-L191 HydrophobicContact CG-CB 3.96Å; W155-L191 HydrophobicContact CG-CD2 4.06Å; W155-L191 HydrophobicContact CG-CG 4.47Å; W155-L191 HydrophobicContact CH2-CB 4.18Å; W155-L191 HydrophobicContact CZ2-CB 3.75Å; W155-L191 HydrophobicContact CZ3-CB 4.29Å; W155-L191 HydrophobicContact CZ3-CD2 4.16Å; W155-C206 HydrophobicContact CD2-CB 4.05Å; W155-C206 HydrophobicContact CE3-CB 3.98Å; W155-C206 HydrophobicContact CH2-CB 4.39Å; W155-C206 HydrophobicContact CZ2-CB 4.44Å; W155-C206 HydrophobicContact CZ3-CB 4.16Å
156F90.9Very high81.6Confident29 Ų2968.6 Ų68.613%0.12739%0.388CS..EExtended strand (participates in β ladder)trans-133.6141.4-178.2-59.9-99000110.4S154 Q160 T161 F204 W205 I207S154-F156 WeakPolarHBondContact O-CD2 3.29Å; S154-F156 WeakPolarHBondContact O-CE2 3.24Å; F156-Q160 CarbonylContact C-O 3.46Å; F156-Q160 WeakPolarHBondContact CA-O 3.23Å; F156-T161 HydrophobicContact CD1-CG2 3.89Å; F156-T161 HydrophobicContact CE1-CG2 3.48Å; F156-T161 VanDerWaalsContact CE1-CG2 3.48Å; F156-T161 HydrophobicContact CZ-CG2 4.31Å; F156-F204 VanDerWaalsContact O-CA 3.31Å; F156-F204 WeakPolarHBondContact O-CA 3.5Å; F156-W205 HydrophobicContact CB-CD2 3.87Å; F156-W205 HydrophobicContact CB-CG 4.17Å; F156-W205 HydrophobicContact CB-CH2 4.44Å; F156-W205 HydrophobicContact CB-CZ2 3.67Å; F156-W205 HydrophobicContact CD1-CH2 4.07Å; F156-W205 AromaticContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD2-CD2 4.11Å; F156-W205 AromaticContact CD2-CE3 3.98Å; F156-W205 HydrophobicContact CD2-CE3 3.98Å; F156-W205 AromaticContact CD2-CH2 3.83Å; F156-W205 HydrophobicContact CD2-CH2 3.83Å; F156-W205 AromaticContact CD2-CZ2 3.93Å; F156-W205 HydrophobicContact CD2-CZ2 3.93Å; F156-W205 AromaticContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CE1-CH2 4.25Å; F156-W205 HydrophobicContact CE1-CZ2 4.37Å; F156-W205 HydrophobicContact CE2-CH2 4.06Å; F156-W205 HydrophobicContact CE2-CZ3 4.11Å; F156-W205 HydrophobicContact CG-CD2 4.17Å; F156-W205 AromaticContact CG-CE2 3.7Å; F156-W205 HydrophobicContact CG-CE3 4.44Å; F156-W205 AromaticContact CG-CH2 3.86Å; F156-W205 HydrophobicContact CG-CH2 3.86Å; F156-W205 AromaticContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ3 4.33Å; F156-W205 HydrophobicContact CZ-CH2 4.26Å; F156-W205 PolarHBondContact N-O 2.87Å; F156-W205 PolarHBondContact O-N 3Å; F156-W205 VanDerWaalsContact O-N 3.08Å; F156-I207 HydrophobicContact CD2-CG1 4.44Å; F156-I207 HydrophobicContact CE2-CB 4.26Å; F156-I207 HydrophobicContact CE2-CD1 3.7Å; F156-I207 HydrophobicContact CE2-CG1 3.72Å; F156-I207 HydrophobicContact CZ-CD1 3.83Å; F156-I207 HydrophobicContact CZ-CG1 4.37Å
157K91.4Very high81.9Confident42 Ų4266.3 Ų66.318%0.18339%0.386CS..EExtended strand (participates in β ladder)trans-121.2118.5169.3-176.3-168.7179.3-161.80108.6G159 Q160 L162 G199 D200 D201 R203 F204K157-G159 PolarHBondContact O-N 2.93Å; K157-Q160 PolarHBondContact N-O 2.76Å; K157-Q160 WeakPolarHBondContact O-CB 3.47Å; K157-Q160 PolarHBondContact O-N 2.78Å; K157-L162 HydrophobicContact CB-CD1 3.76Å; K157-L162 HydrophobicContact CB-CD2 3.92Å; K157-L162 HydrophobicContact CB-CG 3.96Å; K157-G199 PolarHBondContact NZ-O 2.78Å; K157-D200 WeakPolarHBondContact CE-O 3.19Å; K157-D201 WeakPolarHBondContact CE-O 3.35Å; K157-D201 PolarHBondContact NZ-O 3.25Å; K157-D201 VanDerWaalsContact NZ-O 3.14Å; K157-R203 WeakPolarHBondContact CA-O 3.32Å; K157-F204 HydrophobicContact CB-CD1 4.14Å; K157-F204 HydrophobicContact CB-CE1 3.9Å; K157-F204 HydrophobicContact CB-CZ 4.35Å; K157-F204 HydrophobicContact CD-CE1 3.99Å; K157-F204 HydrophobicContact CD-CE2 4.39Å; K157-F204 HydrophobicContact CD-CZ 3.69Å; K157-F204 HydrophobicContact CG-CD1 4.3Å; K157-F204 HydrophobicContact CG-CE1 3.82Å; K157-F204 HydrophobicContact CG-CE2 4.16Å; K157-F204 HydrophobicContact CG-CZ 3.74Å
158D90Very high82.3Confident83 Ų8367.6 Ų67.644%0.44438%0.383SS..THydrogen-bonded Turntrans50.630.8177.8-60.9-51.3000114.6G202 R203D158-G202 WeakPolarHBondContact OD2-CA 3.32Å; D158-R203 PolarHBondContact N-O 2.85Å; D158-R203 PolarHBondContact OD1-N 2.92Å; D158-R203 IonicContact OD1-NE 3.4Å
159G86.3Confident82.7Confident55 Ų5565.7 Ų65.757%0.56737%0.37SS*.THydrogen-bonded Turntrans93.9-12.6-17900000114.8K157K157-G159 PolarHBondContact O-N 2.93Å
160Q88.9Confident83Confident145 Ų14557.8 Ų57.868%0.67834%0.336SS*.EExtended strand (participates in β ladder)trans-85.3136.8174.1-169.3176.816.900111F156 K157F156-Q160 CarbonylContact C-O 3.46Å; F156-Q160 WeakPolarHBondContact CA-O 3.23Å; K157-Q160 PolarHBondContact N-O 2.76Å; K157-Q160 WeakPolarHBondContact O-CB 3.47Å; K157-Q160 PolarHBondContact O-N 2.78Å
161T89.6Confident83.2Confident101 Ų10158.5 Ų58.562%0.6234%0.34SS*.EExtended strand (participates in β ladder)trans-70.2128.217552.70000110.7F156F156-T161 HydrophobicContact CD1-CG2 3.89Å; F156-T161 HydrophobicContact CE1-CG2 3.48Å; F156-T161 VanDerWaalsContact CE1-CG2 3.48Å; F156-T161 HydrophobicContact CZ-CG2 4.31Å
162L87.9Confident83.3Confident45 Ų4552.2 Ų52.224%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-94.1-37.5174.6-65.3175.8000112.3W155 K157 L171 L173 L191 F204W155-L162 HydrophobicContact CB-CB 4.24Å; W155-L162 HydrophobicContact CB-CD1 4.46Å; W155-L162 PolarHBondContact O-N 3.4Å; K157-L162 HydrophobicContact CB-CD1 3.76Å; K157-L162 HydrophobicContact CB-CD2 3.92Å; K157-L162 HydrophobicContact CB-CG 3.96Å; L162-L171 HydrophobicContact CB-CD2 4.16Å; L162-L173 HydrophobicContact CB-CD2 4.35Å; L162-L173 HydrophobicContact CD1-CD1 3.79Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å; L162-L173 HydrophobicContact CD2-CD2 4.5Å; L162-L173 HydrophobicContact CG-CD1 4.35Å; L162-L191 HydrophobicContact CD1-CD2 3.89Å; L162-F204 HydrophobicContact CD1-CD1 3.87Å; L162-F204 HydrophobicContact CD1-CE1 3.78Å
163G85.7Confident82.8Confident30 Ų3051.2 Ų51.231%0.30930%0.3SS..EExtended strand (participates in β ladder)trans150.1-171.2-176.400000111.7W155W155-G163 PolarHBondContact N-O 3.35Å
164S84Confident82.1Confident73 Ų7355.8 Ų55.851%0.5132%0.317SS..EExtended strand (participates in β ladder)trans-115.3146.7176.852.60000111.6A153A153-S164 CarbonylContact O-C 3.55Å; A153-S164 WeakPolarHBondContact O-CA 3.13Å
165S81.8Confident80.7Confident2 Ų259.5 Ų59.51%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-122.7152.3171.561.60000109.5S152 A153 W155 Q169 G189S152-S165 CarbonylContact C-O 3.56Å; S152-S165 WeakPolarHBondContact CA-O 3.37Å; A153-S165 PolarHBondContact N-O 3.19Å; A153-S165 PolarHBondContact O-N 2.91Å; A153-S165 PolarHBondContact O-OG 2.83Å; W155-S165 PolarHBondContact NE1-OG 2.72Å; S165-Q169 CarbonylContact C-O 3.58Å; S165-Q169 WeakPolarHBondContact CA-O 3.5Å; S165-G189 VanDerWaalsContact OG-C 3.23Å; S165-G189 VanDerWaalsContact OG-CA 3.25Å; S165-G189 WeakPolarHBondContact OG-CA 3.23Å; S165-G189 PolarHBondContact OG-O 3.38Å
166S76.7Confident79.3Confident23 Ų2366.8 Ų66.816%0.16137%0.367CS..EExtended strand (participates in β ladder)trans-135.9177.9177.573.80000110.1Q168 Q169 G189S166-Q168 PolarHBondContact O-N 3Å; S166-Q168 PolarHBondContact OG-N 2.85Å; S166-Q168 VanDerWaalsContact OG-N 3.16Å; S166-Q169 PolarHBondContact N-O 2.86Å; S166-Q169 PolarHBondContact O-N 2.86Å; S166-Q169 PolarHBondContact OG-N 2.91Å; S166-G189 PolarHBondContact O-N 2.96Å
167A69.1Low77.8Confident55 Ų5568.5 Ų68.546%0.45538%0.38SS..SBendtrans-61.7-19.3171.600000113.3
168Q69Low76.4Confident160 Ų16069.4 Ų69.475%0.74839%0.391SS*.SBendtrans-101.7-14.4-178.5-67171.8-24.900112.8S166 P180 V181S166-Q168 PolarHBondContact O-N 3Å; S166-Q168 PolarHBondContact OG-N 2.85Å; S166-Q168 VanDerWaalsContact OG-N 3.16Å; Q168-P180 VanDerWaalsContact O-CA 3.29Å; Q168-P180 WeakPolarHBondContact O-CA 3.49Å; Q168-V181 PolarHBondContact O-N 3.33Å; Q168-V181 VanDerWaalsContact O-N 3.12Å
169Q74Confident75.1Confident82 Ų8268.5 Ų68.538%0.38339%0.389SS..EExtended strand (participates in β ladder)trans-148109.5-165.3-169.4-179.919.100110.6S165 S166 S178S165-Q169 CarbonylContact C-O 3.58Å; S165-Q169 WeakPolarHBondContact CA-O 3.5Å; S166-Q169 PolarHBondContact N-O 2.86Å; S166-Q169 PolarHBondContact O-N 2.86Å; S166-Q169 PolarHBondContact OG-N 2.91Å; Q169-S178 VanDerWaalsContact CG-CB 3.46Å; Q169-S178 PolarHBondContact NE2-OG 2.89Å
170N76.4Confident73.9Confident13 Ų1370.7 Ų70.77%0.0739%0.393CS..EExtended strand (participates in β ladder)trans-80.5146.4172.2-72-24.9000110.3S178 V179 V181 L190N170-S178 WeakPolarHBondContact O-CA 3.21Å; N170-V179 PolarHBondContact N-O 3.12Å; N170-V179 VanDerWaalsContact N-O 3.16Å; N170-V179 PolarHBondContact O-N 2.91Å; N170-V181 HydrophobicContact CB-CG2 4.42Å; N170-L190 WeakPolarHBondContact OD1-CB 3.32Å; N170-L190 PolarHBondContact OD1-N 3.1Å
171L79.3Confident72.7Confident22 Ų2264.7 Ų64.712%0.11537%0.366CS..EExtended strand (participates in β ladder)trans-90.3113.8173.5-17960.5000108.9W155 L162 L173 L190 L191 Q192W155-L171 HydrophobicContact CB-CD2 4.15Å; W155-L171 HydrophobicContact CG-CD2 4.46Å; L162-L171 HydrophobicContact CB-CD2 4.16Å; L171-L173 HydrophobicContact CG-CD2 4.32Å; L171-L190 PolarHBondContact N-O 3.25Å; L171-L191 HydrophobicContact CB-CD1 4.2Å; L171-L191 HydrophobicContact CD2-CD1 3.92Å; L171-L191 HydrophobicContact CG-CD1 3.92Å; L171-L191 CarbonylContact O-C 3.55Å; L171-L191 WeakPolarHBondContact O-CA 3.34Å; L171-Q192 PolarHBondContact O-N 2.86Å
172I78.6Confident71.5Confident15 Ų1564 Ų648%0.07736%0.364CS..EExtended strand (participates in β ladder)trans-107.9113.3177.1-46.7-167.8000110.1F175 T177 V179 Q192 V194I172-F175 HydrophobicContact CG2-CD2 3.72Å; I172-F175 HydrophobicContact CG2-CE2 4.48Å; I172-T177 WeakPolarHBondContact CB-O 3.09Å; I172-T177 PolarHBondContact N-O 3.3Å; I172-V179 HydrophobicContact CD1-CB 3.81Å; I172-V179 HydrophobicContact CD1-CG2 3.38Å; I172-V179 HydrophobicContact CG1-CG2 4.23Å; I172-Q192 WeakPolarHBondContact CA-O 3.17Å; I172-Q192 HydrophobicContact CG1-CB 4.21Å; I172-Q192 HydrophobicContact CG2-CB 4.27Å; I172-V194 HydrophobicContact CG2-CG2 3.64Å
173L73.5Confident70.3Confident41 Ų4169.8 Ų69.822%0.21540%0.395CS..EExtended strand (participates in β ladder)trans-75.9147.9176-60.8-171.9000111.3L162 L171 F175 L191 Q192 L193L162-L173 HydrophobicContact CB-CD2 4.35Å; L162-L173 HydrophobicContact CD1-CD1 3.79Å; L162-L173 HydrophobicContact CD2-CD1 3.95Å; L162-L173 HydrophobicContact CD2-CD2 4.5Å; L162-L173 HydrophobicContact CG-CD1 4.35Å; L171-L173 HydrophobicContact CG-CD2 4.32Å; L173-F175 VanDerWaalsContact C-N 3.29Å; L173-F175 PolarHBondContact O-N 3.24Å; L173-L191 HydrophobicContact CD1-CD1 4.07Å; L173-L191 HydrophobicContact CD2-CD1 4.33Å; L173-L191 HydrophobicContact CG-CD1 3.78Å; L173-Q192 PolarHBondContact N-O 2.8Å; L173-L193 HydrophobicContact CB-CD2 4.16Å; L173-L193 HydrophobicContact CD1-CD2 3.36Å; L173-L193 HydrophobicContact CG-CD2 3.94Å
174R72.1Confident69.3Low95 Ų9575.6 Ų75.636%0.35842%0.419SS..THydrogen-bonded Turntrans77.9-24.7-176.6-56.5-170.2-178.2-177.95.5118.2N176 V194 G195 D200R174-N176 VanDerWaalsContact C-N 3.28Å; R174-V194 VanDerWaalsContact CD-O 3.32Å; R174-V194 WeakPolarHBondContact CD-O 3.34Å; R174-G195 PolarHBondContact NH1-O 3.09Å; R174-G195 PolarHBondContact NH2-O 3.02Å; R174-D200 IonicContact CZ-OD2 3.54Å; R174-D200 IonicContact NE-OD2 3.8Å; R174-D200 IonicContact NH2-OD1 3.52Å; R174-D200 IonicContact NH2-OD2 2.59Å; R174-D200 PolarHBondContact NH2-OD2 2.79Å
175F59.2Low68Low130 Ų13074.9 Ų74.957%0.5741%0.411SS*.THydrogen-bonded Turntrans-83.6-16164.4-64.1-75.8000111.1I172 L173 T177 V194I172-F175 HydrophobicContact CG2-CD2 3.72Å; I172-F175 HydrophobicContact CG2-CE2 4.48Å; L173-F175 VanDerWaalsContact C-N 3.29Å; L173-F175 PolarHBondContact O-N 3.24Å; F175-T177 HydrophobicContact CB-CG2 4.01Å; F175-T177 WeakPolarHBondContact CB-OG1 3.34Å; F175-T177 WeakPolarHBondContact O-CG2 3.41Å; F175-T177 PolarHBondContact O-N 3.35Å; F175-V194 HydrophobicContact CD2-CB 4.35Å; F175-V194 HydrophobicContact CD2-CG2 4.45Å; F175-V194 HydrophobicContact CE2-CB 3.71Å; F175-V194 HydrophobicContact CE2-CG1 3.66Å; F175-V194 HydrophobicContact CE2-CG2 4.04Å; F175-V194 HydrophobicContact CZ-CG1 4.27Å
176N60.4Low66.7Low162 Ų16280.6 Ų80.687%0.86645%0.448SS*.THydrogen-bonded Turntrans48.429.2-167.5-161.733.4000111R174R174-N176 VanDerWaalsContact C-N 3.28Å
177T60Low65.9Low64 Ų6484.1 Ų84.139%0.39346%0.462SS..EExtended strand (participates in β ladder)trans-109.9141.2-178.455.80000108.4I172 F175I172-T177 WeakPolarHBondContact CB-O 3.09Å; I172-T177 PolarHBondContact N-O 3.3Å; F175-T177 HydrophobicContact CB-CG2 4.01Å; F175-T177 WeakPolarHBondContact CB-OG1 3.34Å; F175-T177 WeakPolarHBondContact O-CG2 3.41Å; F175-T177 PolarHBondContact O-N 3.35Å
178S60.9Low65.6Low62 Ų6284.4 Ų84.443%0.43446%0.455SS..EExtended strand (participates in β ladder)trans-102.3115.3167.463.50000107.4Q169 N170Q169-S178 VanDerWaalsContact CG-CB 3.46Å; Q169-S178 PolarHBondContact NE2-OG 2.89Å; N170-S178 WeakPolarHBondContact O-CA 3.21Å
179V63.6Low65.5Low63 Ų6376.9 Ų76.938%0.38242%0.42SS..EExtended strand (participates in β ladder)trans-100.5129.7-175.7179.70000108.5N170 I172N170-V179 PolarHBondContact N-O 3.12Å; N170-V179 VanDerWaalsContact N-O 3.16Å; N170-V179 PolarHBondContact O-N 2.91Å; I172-V179 HydrophobicContact CD1-CB 3.81Å; I172-V179 HydrophobicContact CD1-CG2 3.38Å; I172-V179 HydrophobicContact CG1-CG2 4.23Å
180P61.7Low65.8Low101 Ų10173.5 Ų73.566%0.65641%0.405SS*.EExtended strand (participates in β ladder)trans-62.7139.4176.423.1-30.2000110.9Q168Q168-P180 VanDerWaalsContact O-CA 3.29Å; Q168-P180 WeakPolarHBondContact O-CA 3.49Å
181V62.2Low66.4Low19 Ų1972.9 Ų72.912%0.11540%0.402CS..PPolyproline II helixtrans-82.7127.9-180-1740000108.9Q168 N170 D183 V185Q168-V181 PolarHBondContact O-N 3.33Å; Q168-V181 VanDerWaalsContact O-N 3.12Å; N170-V181 HydrophobicContact CB-CG2 4.42Å; V181-D183 PolarHBondContact O-N 2.91Å; V181-V185 WeakPolarHBondContact CG1-O 3.47Å
182P66.2Low66.8Low88 Ų8874.4 Ų74.457%0.57141%0.408SS*.PPolyproline II helixtrans-58.6135.5172.6-21.832.6000110.8D184 V185P182-D184 PolarHBondContact O-N 3.12Å; P182-V185 PolarHBondContact O-N 2.77Å; P182-V185 VanDerWaalsContact O-N 3.11Å
183D62.3Low67.2Low166 Ų16674 Ų7489%0.88841%0.406SS*.THydrogen-bonded Turntrans-57.7-22.2-174.1-67-47.3000113.6V181 V185V181-D183 PolarHBondContact O-N 2.91Å; D183-V185 PolarHBondContact O-N 2.75Å
184D63.4Low67.8Low152 Ų15274.1 Ų74.181%0.81341%0.409SS*.THydrogen-bonded Turntrans-72.8-6.2-178.8-56.2-38.1000114P182P182-D184 PolarHBondContact O-N 3.12Å
185V57.2Low68.4Low57 Ų5770.9 Ų70.935%0.34540%0.404SS..  trans-132.5101.3-176.3-174.10000110.5V181 P182 D183 Q187V181-V185 WeakPolarHBondContact CG1-O 3.47Å; P182-V185 PolarHBondContact O-N 2.77Å; P182-V185 VanDerWaalsContact O-N 3.11Å; D183-V185 PolarHBondContact O-N 2.75Å; V185-Q187 HydrophobicContact CG1-CB 4.04Å; V185-Q187 HydrophobicContact CG1-CG 3.49Å; V185-Q187 VanDerWaalsContact CG1-CG 3.49Å; V185-Q187 PolarHBondContact O-N 2.86Å
186P54.2Low69.8Low123 Ų12364.7 Ų64.780%0.79938%0.377SS*.  trans-79.468177.233.6-32.9000109.6I188P186-I188 PolarHBondContact O-N 2.97Å
187Q60.6Low71.2Confident96 Ų9664.6 Ų64.645%0.44937%0.365SS..  trans-92.394.9172.9-83.917110.200108.6V185 G189 L190V185-Q187 HydrophobicContact CG1-CB 4.04Å; V185-Q187 HydrophobicContact CG1-CG 3.49Å; V185-Q187 VanDerWaalsContact CG1-CG 3.49Å; V185-Q187 PolarHBondContact O-N 2.86Å; Q187-G189 PolarHBondContact O-N 3.48Å; Q187-G189 VanDerWaalsContact O-N 3.13Å; Q187-L190 HydrophobicContact CB-CD1 3.69Å; Q187-L190 HydrophobicContact CB-CG 4.02Å; Q187-L190 HydrophobicContact CG-CD1 4.03Å
188I61.7Low72.4Confident62 Ų6265.1 Ų65.132%0.31836%0.362SS..THydrogen-bonded Turntrans-65113.2179.2-59.2173.2000109.6C150 P186C150-I188 HydrophobicContact CB-CG2 3.81Å; C150-I188 WeakPolarHBondContact O-CG2 3.5Å; P186-I188 PolarHBondContact O-N 2.97Å
189G68Low73.6Confident1 Ų165 Ų651%0.0137%0.37CS..THydrogen-bonded Turntrans59.462161.100000115.2W155 S165 S166 Q187W155-G189 WeakPolarHBondContact CZ2-O 3.38Å; S165-G189 VanDerWaalsContact OG-C 3.23Å; S165-G189 VanDerWaalsContact OG-CA 3.25Å; S165-G189 WeakPolarHBondContact OG-CA 3.23Å; S165-G189 PolarHBondContact OG-O 3.38Å; S166-G189 PolarHBondContact O-N 2.96Å; Q187-G189 PolarHBondContact O-N 3.48Å; Q187-G189 VanDerWaalsContact O-N 3.13Å
190L81.1Confident74.8Confident12 Ų1263.7 Ų63.76%0.06336%0.361CS..EExtended strand (participates in β ladder)trans-84.4141.4176.7-64.3177000112.8L139 N170 L171 Q187L139-L190 WeakPolarHBondContact O-CA 3.38Å; L139-L190 WeakPolarHBondContact O-CD2 3.43Å; N170-L190 WeakPolarHBondContact OD1-CB 3.32Å; N170-L190 PolarHBondContact OD1-N 3.1Å; L171-L190 PolarHBondContact N-O 3.25Å; Q187-L190 HydrophobicContact CB-CD1 3.69Å; Q187-L190 HydrophobicContact CB-CG 4.02Å; Q187-L190 HydrophobicContact CG-CD1 4.03Å
191L87.3Confident76.3Confident0 Ų062 Ų620%035%0.347CS..EExtended strand (participates in β ladder)trans-100.4117.6161.5170.463.1000109S138 L139 W155 L162 L171 L173 L193 F204S138-L191 CarbonylContact C-O 3.59Å; S138-L191 WeakPolarHBondContact CA-O 3.44Å; L139-L191 HydrophobicContact CB-CB 4.35Å; L139-L191 HydrophobicContact CD1-CD2 4.27Å; L139-L191 PolarHBondContact N-O 2.92Å; L139-L191 PolarHBondContact O-N 3.34Å; W155-L191 HydrophobicContact CB-CD2 4.24Å; W155-L191 HydrophobicContact CD2-CB 3.56Å; W155-L191 HydrophobicContact CD2-CD2 3.75Å; W155-L191 HydrophobicContact CD2-CG 4.25Å; W155-L191 VanDerWaalsContact CE2-CB 3.42Å; W155-L191 HydrophobicContact CE3-CB 4.01Å; W155-L191 HydrophobicContact CE3-CD2 3.57Å; W155-L191 HydrophobicContact CE3-CG 4.45Å; W155-L191 HydrophobicContact CG-CB 3.96Å; W155-L191 HydrophobicContact CG-CD2 4.06Å; W155-L191 HydrophobicContact CG-CG 4.47Å; W155-L191 HydrophobicContact CH2-CB 4.18Å; W155-L191 HydrophobicContact CZ2-CB 3.75Å; W155-L191 HydrophobicContact CZ3-CB 4.29Å; W155-L191 HydrophobicContact CZ3-CD2 4.16Å; L162-L191 HydrophobicContact CD1-CD2 3.89Å; L171-L191 HydrophobicContact CB-CD1 4.2Å; L171-L191 HydrophobicContact CD2-CD1 3.92Å; L171-L191 HydrophobicContact CG-CD1 3.92Å; L171-L191 CarbonylContact O-C 3.55Å; L171-L191 WeakPolarHBondContact O-CA 3.34Å; L173-L191 HydrophobicContact CD1-CD1 4.07Å; L173-L191 HydrophobicContact CD2-CD1 4.33Å; L173-L191 HydrophobicContact CG-CD1 3.78Å; L191-L193 HydrophobicContact CD1-CD2 4.28Å; L191-L193 HydrophobicContact CD2-CD2 4.35Å; L191-L193 HydrophobicContact CG-CD2 4.19Å; L191-F204 HydrophobicContact CD2-CD1 3.69Å; L191-F204 HydrophobicContact CD2-CE1 4.19Å
192Q87.6Confident77.7Confident54 Ų5461.5 Ų61.525%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-104.6120.7175.3-60.5-168.6-51.300110.6V137 S138 L171 I172 L173V137-Q192 WeakPolarHBondContact O-CA 3.42Å; S138-Q192 PolarHBondContact OG-NE2 3.39Å; L171-Q192 PolarHBondContact O-N 2.86Å; I172-Q192 WeakPolarHBondContact CA-O 3.17Å; I172-Q192 HydrophobicContact CG1-CB 4.21Å; I172-Q192 HydrophobicContact CG2-CB 4.27Å; L173-Q192 PolarHBondContact N-O 2.8Å
193L87.4Confident79Confident5 Ų563.1 Ų63.13%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-98.1115172.4-53.6176.4000107.3S136 V137 L173 L191 L196 F204 V218S136-L193 CarbonylContact C-O 3.51Å; S136-L193 WeakPolarHBondContact CA-O 3.4Å; S136-L193 WeakPolarHBondContact CB-O 3.28Å; V137-L193 PolarHBondContact N-O 3.36Å; V137-L193 PolarHBondContact O-N 3.04Å; L173-L193 HydrophobicContact CB-CD2 4.16Å; L173-L193 HydrophobicContact CD1-CD2 3.36Å; L173-L193 HydrophobicContact CG-CD2 3.94Å; L191-L193 HydrophobicContact CD1-CD2 4.28Å; L191-L193 HydrophobicContact CD2-CD2 4.35Å; L191-L193 HydrophobicContact CG-CD2 4.19Å; L193-L196 HydrophobicContact CB-CD2 3.55Å; L193-L196 HydrophobicContact CB-CG 4.5Å; L193-L196 HydrophobicContact CD1-CD2 4.06Å; L193-L196 HydrophobicContact CG-CD2 4.43Å; L193-F204 HydrophobicContact CD1-CE1 4.07Å; L193-F204 HydrophobicContact CD1-CE2 4.29Å; L193-F204 HydrophobicContact CD1-CZ 3.85Å; L193-F204 HydrophobicContact CD2-CE1 3.95Å; L193-F204 HydrophobicContact CD2-CZ 4.3Å; L193-V218 HydrophobicContact CD1-CG2 4.46Å
194V86.5Confident80.4Confident45 Ų4555.4 Ų55.427%0.27330%0.298SS..  trans-109.7135.5-176.9-173.90000111.6I172 R174 F175I172-V194 HydrophobicContact CG2-CG2 3.64Å; R174-V194 VanDerWaalsContact CD-O 3.32Å; R174-V194 WeakPolarHBondContact CD-O 3.34Å; F175-V194 HydrophobicContact CD2-CB 4.35Å; F175-V194 HydrophobicContact CD2-CG2 4.45Å; F175-V194 HydrophobicContact CE2-CB 3.71Å; F175-V194 HydrophobicContact CE2-CG1 3.66Å; F175-V194 HydrophobicContact CE2-CG2 4.04Å; F175-V194 HydrophobicContact CZ-CG1 4.27Å
195G85.2Confident81.7Confident26 Ų2650.9 Ų50.927%0.26827%0.27SS..SBendtrans69.541.4174.400000113.3T135 R174 R197T135-G195 CarbonylContact O-C 3.55Å; T135-G195 WeakPolarHBondContact O-CA 3.39Å; T135-G195 PolarHBondContact O-N 2.9Å; T135-G195 VanDerWaalsContact O-N 3.1Å; R174-G195 PolarHBondContact NH1-O 3.09Å; R174-G195 PolarHBondContact NH2-O 3.02Å; G195-R197 PolarHBondContact O-N 3.01Å
196L88.9Confident83.2Confident1 Ų148.2 Ų48.21%0.00525%0.254CS..  trans-41.1134.5-169.5-68.2169.2000114.6A131 Q133 S134 T135 V137 L193 D200 I220A131-L196 HydrophobicContact CB-CD1 3.5Å; Q133-L196 WeakPolarHBondContact CG-O 3.22Å; S134-L196 PolarHBondContact N-O 2.96Å; T135-L196 WeakPolarHBondContact O-CG 3.34Å; T135-L196 PolarHBondContact O-N 2.75Å; V137-L196 HydrophobicContact CB-CD1 4.24Å; V137-L196 HydrophobicContact CG2-CD1 3.69Å; L193-L196 HydrophobicContact CB-CD2 3.55Å; L193-L196 HydrophobicContact CB-CG 4.5Å; L193-L196 HydrophobicContact CD1-CD2 4.06Å; L193-L196 HydrophobicContact CG-CD2 4.43Å; L196-D200 VanDerWaalsContact CA-OD2 3.32Å; L196-D200 WeakPolarHBondContact CA-OD2 3.4Å; L196-D200 HydrophobicContact CD2-CB 4.04Å; L196-I220 HydrophobicContact CB-CD1 3.88Å; L196-I220 HydrophobicContact CD1-CD1 3.86Å; L196-I220 HydrophobicContact CD2-CD1 3.95Å; L196-I220 HydrophobicContact CG-CD1 4.11Å
197R89.7Confident84.8Confident160 Ų16044.8 Ų44.860%0.60423%0.228SC*.  trans-118.6157.9176.4-71.8164.2-164.5-179.94.5108.5G195 G199 D200 I220G195-R197 PolarHBondContact O-N 3.01Å; R197-G199 PolarHBondContact O-N 2.93Å; R197-D200 PolarHBondContact N-OD2 3.48Å; R197-D200 WeakPolarHBondContact O-CB 3.29Å; R197-D200 PolarHBondContact O-N 2.82Å; R197-I220 WeakPolarHBondContact O-CG1 3.3Å
198K85Confident86.1Confident74 Ų7440.4 Ų40.432%0.32221%0.208SC..G310 helixtrans-48.1-34.4178.5-60.1-176.6-177.5-177.20113.8D200 Y222 D224K198-D200 VanDerWaalsContact C-N 3.29Å; K198-D200 PolarHBondContact O-N 3.09Å; K198-Y222 HydrophobicContact CD-CD1 4.13Å; K198-Y222 HydrophobicContact CD-CD2 4.47Å; K198-Y222 HydrophobicContact CD-CE1 3.91Å; K198-Y222 HydrophobicContact CD-CE2 4.29Å; K198-Y222 HydrophobicContact CD-CG 4.4Å; K198-Y222 VanDerWaalsContact CE-CE2 3.47Å; K198-Y222 HydrophobicContact CG-CD1 4.05Å; K198-Y222 HydrophobicContact CG-CE1 4.14Å; K198-D224 IonicContact NZ-OD1 3.78Å; K198-D224 PolarHBondContact NZ-OD1 3.16Å; K198-D224 IonicContact NZ-OD2 2.72Å; K198-D224 PolarHBondContact NZ-OD2 3.45Å
199G85.5Confident87Confident60 Ų6041.7 Ų41.762%0.61922%0.216SC*.G310 helixtrans-74.4-6.7177.500000116.4K157 R197 D201K157-G199 PolarHBondContact NZ-O 2.78Å; R197-G199 PolarHBondContact O-N 2.93Å; G199-D201 PolarHBondContact O-N 2.91Å
200D89.9Confident87.6Confident35 Ų3544.9 Ų44.919%0.18725%0.249CC..G310 helixtrans-79.2-7.7176.8-62.8-28.1000112.9K157 R174 L196 R197 K198 G202 I220K157-D200 WeakPolarHBondContact CE-O 3.19Å; R174-D200 IonicContact CZ-OD2 3.54Å; R174-D200 IonicContact NE-OD2 3.8Å; R174-D200 IonicContact NH2-OD1 3.52Å; R174-D200 IonicContact NH2-OD2 2.59Å; R174-D200 PolarHBondContact NH2-OD2 2.79Å; L196-D200 VanDerWaalsContact CA-OD2 3.32Å; L196-D200 WeakPolarHBondContact CA-OD2 3.4Å; L196-D200 HydrophobicContact CD2-CB 4.04Å; R197-D200 PolarHBondContact N-OD2 3.48Å; R197-D200 WeakPolarHBondContact O-CB 3.29Å; R197-D200 PolarHBondContact O-N 2.82Å; K198-D200 VanDerWaalsContact C-N 3.29Å; K198-D200 PolarHBondContact O-N 3.09Å; D200-G202 PolarHBondContact O-N 2.99Å; D200-I220 HydrophobicContact CB-CD1 4.47Å; D200-I220 HydrophobicContact CB-CG1 4.35Å
201D91.5Very high87.8Confident66 Ų6647 Ų4735%0.35326%0.262SS..  trans-47.2135169.2-78.3-12.7000110.9K157 G199 R219 I220K157-D201 WeakPolarHBondContact CE-O 3.35Å; K157-D201 PolarHBondContact NZ-O 3.25Å; K157-D201 VanDerWaalsContact NZ-O 3.14Å; G199-D201 PolarHBondContact O-N 2.91Å; D201-R219 VanDerWaalsContact OD1-CA 3.27Å; D201-R219 WeakPolarHBondContact OD1-CA 3.42Å; D201-I220 WeakPolarHBondContact OD1-CG1 3.14Å; D201-I220 PolarHBondContact OD1-N 3.37Å
202G92.3Very high87.7Confident8 Ų850 Ų508%0.08228%0.281CS..EExtended strand (participates in β ladder)trans163.8172.7-179.600000114.6D158 D200 F204 R217 V218D158-G202 WeakPolarHBondContact OD2-CA 3.32Å; D200-G202 PolarHBondContact O-N 2.99Å; G202-F204 WeakPolarHBondContact O-CD2 3.42Å; G202-R217 WeakPolarHBondContact O-CA 3.48Å; G202-V218 PolarHBondContact N-O 2.77Å; G202-V218 PolarHBondContact O-N 3.33Å
203R93.5Very high87.6Confident123 Ų12347.6 Ų47.646%0.46427%0.27SS..EExtended strand (participates in β ladder)trans-95.8115.8173.4-67.9177.8-65.9176.20.3110K157 D158 V215 R217K157-R203 WeakPolarHBondContact CA-O 3.32Å; D158-R203 PolarHBondContact N-O 2.85Å; D158-R203 PolarHBondContact OD1-N 2.92Å; D158-R203 IonicContact OD1-NE 3.4Å; R203-V215 HydrophobicContact CB-CG1 4.02Å; R203-V215 HydrophobicContact CG-CG1 4.41Å; R203-R217 HydrophobicContact CG-CB 4.29Å; R203-R217 HydrophobicContact CG-CG 4.29Å
204F91.9Very high87.5Confident3 Ų350.7 Ų50.71%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-100.2134.9177.4-65.3-96.9000109.9L139 F156 K157 L162 L191 L193 G202 V216 V218L139-F204 HydrophobicContact CD1-CB 3.58Å; L139-F204 HydrophobicContact CD1-CD1 4.18Å; L139-F204 HydrophobicContact CD1-CD2 4.35Å; L139-F204 HydrophobicContact CD1-CG 3.79Å; F156-F204 VanDerWaalsContact O-CA 3.31Å; F156-F204 WeakPolarHBondContact O-CA 3.5Å; K157-F204 HydrophobicContact CB-CD1 4.14Å; K157-F204 HydrophobicContact CB-CE1 3.9Å; K157-F204 HydrophobicContact CB-CZ 4.35Å; K157-F204 HydrophobicContact CD-CE1 3.99Å; K157-F204 HydrophobicContact CD-CE2 4.39Å; K157-F204 HydrophobicContact CD-CZ 3.69Å; K157-F204 HydrophobicContact CG-CD1 4.3Å; K157-F204 HydrophobicContact CG-CE1 3.82Å; K157-F204 HydrophobicContact CG-CE2 4.16Å; K157-F204 HydrophobicContact CG-CZ 3.74Å; L162-F204 HydrophobicContact CD1-CD1 3.87Å; L162-F204 HydrophobicContact CD1-CE1 3.78Å; L191-F204 HydrophobicContact CD2-CD1 3.69Å; L191-F204 HydrophobicContact CD2-CE1 4.19Å; L193-F204 HydrophobicContact CD1-CE1 4.07Å; L193-F204 HydrophobicContact CD1-CE2 4.29Å; L193-F204 HydrophobicContact CD1-CZ 3.85Å; L193-F204 HydrophobicContact CD2-CE1 3.95Å; L193-F204 HydrophobicContact CD2-CZ 4.3Å; G202-F204 WeakPolarHBondContact O-CD2 3.42Å; F204-V216 PolarHBondContact N-O 2.02Å; F204-V216 PolarHBondContact O-N 2.8Å; F204-V218 HydrophobicContact CD2-CB 3.97Å; F204-V218 HydrophobicContact CD2-CG2 3.56Å; F204-V218 HydrophobicContact CE2-CB 3.81Å; F204-V218 HydrophobicContact CE2-CG2 3.82Å; F204-V218 HydrophobicContact CG-CG2 4.44Å
205W90.8Very high87.6Confident57 Ų5750.9 Ų50.922%0.21629%0.285CS..EExtended strand (participates in β ladder)trans-151.7163.9175.860.9-78.5000109.5F156 I207 V212 V215F156-W205 HydrophobicContact CB-CD2 3.87Å; F156-W205 HydrophobicContact CB-CG 4.17Å; F156-W205 HydrophobicContact CB-CH2 4.44Å; F156-W205 HydrophobicContact CB-CZ2 3.67Å; F156-W205 HydrophobicContact CD1-CH2 4.07Å; F156-W205 AromaticContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD1-CZ2 3.76Å; F156-W205 HydrophobicContact CD2-CD2 4.11Å; F156-W205 AromaticContact CD2-CE3 3.98Å; F156-W205 HydrophobicContact CD2-CE3 3.98Å; F156-W205 AromaticContact CD2-CH2 3.83Å; F156-W205 HydrophobicContact CD2-CH2 3.83Å; F156-W205 AromaticContact CD2-CZ2 3.93Å; F156-W205 HydrophobicContact CD2-CZ2 3.93Å; F156-W205 AromaticContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CD2-CZ3 3.88Å; F156-W205 HydrophobicContact CE1-CH2 4.25Å; F156-W205 HydrophobicContact CE1-CZ2 4.37Å; F156-W205 HydrophobicContact CE2-CH2 4.06Å; F156-W205 HydrophobicContact CE2-CZ3 4.11Å; F156-W205 HydrophobicContact CG-CD2 4.17Å; F156-W205 AromaticContact CG-CE2 3.7Å; F156-W205 HydrophobicContact CG-CE3 4.44Å; F156-W205 AromaticContact CG-CH2 3.86Å; F156-W205 HydrophobicContact CG-CH2 3.86Å; F156-W205 AromaticContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ2 3.52Å; F156-W205 HydrophobicContact CG-CZ3 4.33Å; F156-W205 HydrophobicContact CZ-CH2 4.26Å; F156-W205 PolarHBondContact N-O 2.87Å; F156-W205 PolarHBondContact O-N 3Å; F156-W205 VanDerWaalsContact O-N 3.08Å; W205-I207 HydrophobicContact CE3-CG1 4.11Å; W205-I207 HydrophobicContact CH2-CD1 4.01Å; W205-I207 HydrophobicContact CH2-CG1 4.23Å; W205-I207 HydrophobicContact CZ3-CD1 3.65Å; W205-I207 HydrophobicContact CZ3-CG1 3.4Å; W205-I207 VanDerWaalsContact CZ3-CG1 3.4Å; W205-V212 HydrophobicContact CE3-CG1 3.91Å; W205-V212 HydrophobicContact CZ3-CG1 4.23Å; W205-V212 HydrophobicContact CZ3-CG2 4.49Å; W205-V215 HydrophobicContact CB-CG2 4.06Å
206C88.9Confident87.9Confident2 Ų250.7 Ų50.71%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-129.8158.9-178.863.50000111.5C141 A153 S154 W155 G213C141-C206 WeakPolarHBondContact CA-SG 3.39Å; C141-C206 HydrophobicContact CB-CB 3.79Å; C141-C206 WeakPolarHBondContact CB-SG 3.26Å; C141-C206 WeakPolarHBondContact SG-CB 3.19Å; C141-C206 CovalentContact SG-SG 2.03Å; C141-C206 PolarHBondContact SG-SG 3.47Å; A153-C206 HydrophobicContact CB-CB 4.43Å; S154-C206 CarbonylContact O-C 3.53Å; S154-C206 WeakPolarHBondContact O-CA 3.43Å; W155-C206 HydrophobicContact CD2-CB 4.05Å; W155-C206 HydrophobicContact CE3-CB 3.98Å; W155-C206 HydrophobicContact CH2-CB 4.39Å; W155-C206 HydrophobicContact CZ2-CB 4.44Å; W155-C206 HydrophobicContact CZ3-CB 4.16Å; C206-G213 PolarHBondContact O-N 3.14Å
207I88.5Confident88.1Confident50 Ų5055.8 Ų55.826%0.25630%0.298SS..EExtended strand (participates in β ladder)trans-116.5126.4163.5-59.4176.5000107.2A153 S154 F156 W205 V211 V212A153-I207 WeakPolarHBondContact CA-O 3.25Å; S154-I207 PolarHBondContact N-O 3.33Å; S154-I207 PolarHBondContact O-N 2.8Å; F156-I207 HydrophobicContact CD2-CG1 4.44Å; F156-I207 HydrophobicContact CE2-CB 4.26Å; F156-I207 HydrophobicContact CE2-CD1 3.7Å; F156-I207 HydrophobicContact CE2-CG1 3.72Å; F156-I207 HydrophobicContact CZ-CD1 3.83Å; F156-I207 HydrophobicContact CZ-CG1 4.37Å; W205-I207 HydrophobicContact CE3-CG1 4.11Å; W205-I207 HydrophobicContact CH2-CD1 4.01Å; W205-I207 HydrophobicContact CH2-CG1 4.23Å; W205-I207 HydrophobicContact CZ3-CD1 3.65Å; W205-I207 HydrophobicContact CZ3-CG1 3.4Å; W205-I207 VanDerWaalsContact CZ3-CG1 3.4Å; I207-V211 WeakPolarHBondContact CA-O 3.47Å; I207-V212 HydrophobicContact CG1-CG2 4.43Å
208C86.5Confident88.3Confident4 Ų448.1 Ų48.13%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-124.6124.9172.2-174.90000111P143 C150 S152 A153 G210 V211P143-C208 HydrophobicContact CG-CB 3.95Å; C150-C208 WeakPolarHBondContact CA-SG 3.26Å; C150-C208 HydrophobicContact CB-CB 4.05Å; C150-C208 WeakPolarHBondContact CB-SG 3.49Å; C150-C208 WeakPolarHBondContact SG-CB 3.31Å; C150-C208 CovalentContact SG-SG 2Å; C150-C208 PolarHBondContact SG-SG 2.95Å; S152-C208 PolarHBondContact O-SG 2.85Å; A153-C208 HydrophobicContact CB-CB 4.48Å; C208-G210 PolarHBondContact O-N 3.5Å; C208-G210 VanDerWaalsContact O-N 3.14Å; C208-V211 PolarHBondContact N-O 3.35Å; C208-V211 WeakPolarHBondContact O-CA 3.42Å; C208-V211 WeakPolarHBondContact O-CB 3.28Å; C208-V211 PolarHBondContact O-N 2.73Å
209N82Confident88.7Confident89 Ų8948.3 Ų48.348%0.47627%0.268SS..THydrogen-bonded Turntrans48.638.5-177.4-61.7-9.4000113.1V211N209-V211 VanDerWaalsContact C-N 3.26Å; N209-V211 PolarHBondContact O-N 2.79Å
210G80.6Confident89.1Confident69 Ų6945.4 Ų45.471%0.71124%0.238SC*.THydrogen-bonded Turntrans79.3-3.6-176.700000115.5C208C208-G210 PolarHBondContact O-N 3.5Å; C208-G210 VanDerWaalsContact O-N 3.14Å
211V83.9Confident89.3Confident55 Ų5543.9 Ų43.933%0.33323%0.23SC..EExtended strand (participates in β ladder)trans-97.8129.4178.2-172.70000110.4P143 I207 C208 N209P143-V211 HydrophobicContact CB-CB 4.26Å; P143-V211 HydrophobicContact CB-CG1 3.88Å; I207-V211 WeakPolarHBondContact CA-O 3.47Å; C208-V211 PolarHBondContact N-O 3.35Å; C208-V211 WeakPolarHBondContact O-CA 3.42Å; C208-V211 WeakPolarHBondContact O-CB 3.28Å; C208-V211 PolarHBondContact O-N 2.73Å; N209-V211 VanDerWaalsContact C-N 3.26Å; N209-V211 PolarHBondContact O-N 2.79Å
212V86.5Confident89.3Confident65 Ų6543 Ų4339%0.39422%0.222SC..EExtended strand (participates in β ladder)trans-75.4131.5178.4-178.70000110.5W205 I207W205-V212 HydrophobicContact CE3-CG1 3.91Å; W205-V212 HydrophobicContact CZ3-CG1 4.23Å; W205-V212 HydrophobicContact CZ3-CG2 4.49Å; I207-V212 HydrophobicContact CG1-CG2 4.43Å
213G84.5Confident89.2Confident2 Ų243.1 Ų43.12%0.02122%0.221CC..BIsolated β-bridgetrans-77.9169.7173.800000114.3K142 C206K142-G213 WeakPolarHBondContact O-CA 3.49Å; C206-G213 PolarHBondContact O-N 3.14Å
214Q84.7Confident88.9Confident70 Ų7039.3 Ų39.333%0.32721%0.21SC..PPolyproline II helixtrans-57.1138.9170.4-173.7175.613.400111.2K142 L144K142-Q214 PolarHBondContact O-N 2.8Å; L144-Q214 HydrophobicContact CD2-CB 4.47Å
215V89.5Confident88.2Confident49 Ų4944.4 Ų44.430%0.29724%0.241SC..PPolyproline II helixtrans-85.7124.4173.1-173.20000109.3V126 K127 R203 W205V126-V215 HydrophobicContact CG1-CG1 4.19Å; K127-V215 PolarHBondContact N-O 2.92Å; R203-V215 HydrophobicContact CB-CG1 4.02Å; R203-V215 HydrophobicContact CG-CG1 4.41Å; W205-V215 HydrophobicContact CB-CG2 4.06Å
216V91.1Very high86.9Confident23 Ų2349.7 Ų49.714%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-113.9125.3176.1-178.10000108.8K127 L129 L139 F204 V218K127-V216 HydrophobicContact CB-CG2 4.49Å; K127-V216 CarbonylContact O-C 3.59Å; K127-V216 WeakPolarHBondContact O-CA 3.41Å; K127-V216 WeakPolarHBondContact O-CG1 3.41Å; L129-V216 HydrophobicContact CB-CG1 4.04Å; L139-V216 HydrophobicContact CD2-CG1 4.18Å; F204-V216 PolarHBondContact N-O 2.02Å; F204-V216 PolarHBondContact O-N 2.8Å; V216-V218 HydrophobicContact CG1-CG2 4.43Å
217R93.5Very high85.5Confident107 Ų10751 Ų5140%0.40428%0.279SS..EExtended strand (participates in β ladder)trans-93.4110.9172.3-174.6177.2-167129.34.8109.1V126 K127 E128 L129 G202 R203 R219V126-R217 HydrophobicContact CG1-CB 3.57Å; K127-R217 PolarHBondContact O-N 2.73Å; E128-R217 CarbonylContact C-O 3.53Å; E128-R217 WeakPolarHBondContact CA-O 3.08Å; E128-R217 HydrophobicContact CG-CB 4.48Å; L129-R217 PolarHBondContact N-O 2.83Å; G202-R217 WeakPolarHBondContact O-CA 3.48Å; R203-R217 HydrophobicContact CG-CB 4.29Å; R203-R217 HydrophobicContact CG-CG 4.29Å; R217-R219 HydrophobicContact CG-CG 4.18Å
218V93Very high84Confident0 Ų055.7 Ų55.70%030%0.297CS..EExtended strand (participates in β ladder)trans-86.1128.7173.7-178.90000108.1L129 A131 L139 L193 G202 F204 V216 I220L129-V218 HydrophobicContact CD2-CG2 4.46Å; L129-V218 WeakPolarHBondContact O-CA 3.49Å; A131-V218 HydrophobicContact CB-CG1 4.46Å; L139-V218 HydrophobicContact CD1-CG2 4.18Å; L193-V218 HydrophobicContact CD1-CG2 4.46Å; G202-V218 PolarHBondContact N-O 2.77Å; G202-V218 PolarHBondContact O-N 3.33Å; F204-V218 HydrophobicContact CD2-CB 3.97Å; F204-V218 HydrophobicContact CD2-CG2 3.56Å; F204-V218 HydrophobicContact CE2-CB 3.81Å; F204-V218 HydrophobicContact CE2-CG2 3.82Å; F204-V218 HydrophobicContact CG-CG2 4.44Å; V216-V218 HydrophobicContact CG1-CG2 4.43Å; V218-I220 HydrophobicContact CG1-CD1 3.83Å
219R94.5Very high83Confident77 Ų7758.9 Ų58.929%0.29132%0.317SS..EExtended strand (participates in β ladder)trans-124.1126173.4-52.8-175.471.4172.24.5109.6E128 L129 L130 A131 D201 R217 V221 F252E128-R219 IonicContact OE2-NH1 3.28Å; L129-R219 PolarHBondContact O-N 3.37Å; L130-R219 WeakPolarHBondContact CA-O 3.4Å; L130-R219 HydrophobicContact CD2-CB 3.87Å; A131-R219 PolarHBondContact N-O 3.04Å; D201-R219 VanDerWaalsContact OD1-CA 3.27Å; D201-R219 WeakPolarHBondContact OD1-CA 3.42Å; R217-R219 HydrophobicContact CG-CG 4.18Å; R219-V221 PolarHBondContact O-N 3.33Å; R219-F252 HydrophobicContact CB-CD1 4.44Å; R219-F252 HydrophobicContact CB-CE1 3.73Å; R219-F252 VanDerWaalsContact CZ-CE2 3.48Å
220I93.3Very high82.6Confident0 Ų057.4 Ų57.40%031%0.311CS..EExtended strand (participates in β ladder)trans-84.7115.4-175.8-56.4-44.6000109A131 Q133 L196 R197 D200 D201 V218 F252A131-I220 HydrophobicContact CB-CD1 4.25Å; A131-I220 CarbonylContact O-C 3.57Å; A131-I220 VanDerWaalsContact O-CA 3.25Å; A131-I220 WeakPolarHBondContact O-CA 3.23Å; Q133-I220 HydrophobicContact CB-CG2 4.09Å; L196-I220 HydrophobicContact CB-CD1 3.88Å; L196-I220 HydrophobicContact CD1-CD1 3.86Å; L196-I220 HydrophobicContact CD2-CD1 3.95Å; L196-I220 HydrophobicContact CG-CD1 4.11Å; R197-I220 WeakPolarHBondContact O-CG1 3.3Å; D200-I220 HydrophobicContact CB-CD1 4.47Å; D200-I220 HydrophobicContact CB-CG1 4.35Å; D201-I220 WeakPolarHBondContact OD1-CG1 3.14Å; D201-I220 PolarHBondContact OD1-N 3.37Å; V218-I220 HydrophobicContact CG1-CD1 3.83Å; I220-F252 WeakPolarHBondContact O-CD1 3.32Å
221V93.6Very high82.5Confident3 Ų355.9 Ų55.92%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-88.7134.8177.6-580000110.1L130 A131 P132 Q133 R219 F252 V300 V301L130-V221 HydrophobicContact CB-CG1 3.75Å; L130-V221 HydrophobicContact CD1-CG1 4.29Å; L130-V221 HydrophobicContact CD2-CG1 3.88Å; L130-V221 HydrophobicContact CG-CG1 4.17Å; A131-V221 PolarHBondContact O-N 2.97Å; P132-V221 CarbonylContact C-O 3.6Å; P132-V221 VanDerWaalsContact CA-CG2 3.48Å; P132-V221 VanDerWaalsContact CA-O 3.31Å; P132-V221 WeakPolarHBondContact CA-O 3.28Å; P132-V221 HydrophobicContact CB-CG2 4.03Å; P132-V221 HydrophobicContact CG-CG2 3.87Å; Q133-V221 PolarHBondContact N-O 3.13Å; R219-V221 PolarHBondContact O-N 3.33Å; V221-F252 CarbonylContact C-O 3.51Å; V221-F252 WeakPolarHBondContact CA-O 2.76Å; V221-F252 WeakPolarHBondContact CB-O 2.85Å; V221-F252 HydrophobicContact CG1-CD1 4.09Å; V221-F252 HydrophobicContact CG1-CE1 4.26Å; V221-V300 HydrophobicContact CB-CG2 3.81Å; V221-V300 HydrophobicContact CG1-CG2 3.93Å; V221-V300 HydrophobicContact CG2-CG2 3.86Å; V221-V301 HydrophobicContact CB-CG2 3.85Å; V221-V301 HydrophobicContact CG2-CG2 3.66Å
222Y91.8Very high82.6Confident48 Ų4856.9 Ų56.919%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-151.3157.9-177.167.2-90.4000110.5K198 D224 G251 F252 N299K198-Y222 HydrophobicContact CD-CD1 4.13Å; K198-Y222 HydrophobicContact CD-CD2 4.47Å; K198-Y222 HydrophobicContact CD-CE1 3.91Å; K198-Y222 HydrophobicContact CD-CE2 4.29Å; K198-Y222 HydrophobicContact CD-CG 4.4Å; K198-Y222 VanDerWaalsContact CE-CE2 3.47Å; K198-Y222 HydrophobicContact CG-CD1 4.05Å; K198-Y222 HydrophobicContact CG-CE1 4.14Å; Y222-D224 WeakPolarHBondContact CD2-OD1 3.23Å; Y222-G251 CarbonylContact O-C 3.43Å; Y222-G251 WeakPolarHBondContact O-CA 3.49Å; Y222-F252 HydrophobicContact CD1-CB 3.91Å; Y222-F252 HydrophobicContact CE1-CB 3.55Å; Y222-F252 PolarHBondContact N-O 2.99Å; Y222-F252 VanDerWaalsContact N-O 3.1Å; Y222-F252 PolarHBondContact O-N 2.89Å; Y222-N299 PolarHBondContact O-ND2 2.89Å
223L90.8Very high82.9Confident9 Ų957.7 Ų57.75%0.04729%0.294CS..EExtended strand (participates in β ladder)trans-138.6110.1169.4-171.662.3000107.1T225 P249 P255 V301 G302 R304L223-T225 PolarHBondContact O-N 3.28Å; L223-P249 HydrophobicContact CD1-CB 4.3Å; L223-P249 HydrophobicContact CD1-CG 3.88Å; L223-P249 HydrophobicContact CG-CG 4.35Å; L223-P255 HydrophobicContact CD1-CB 3.98Å; L223-P255 HydrophobicContact CD1-CG 4.3Å; L223-V301 HydrophobicContact CB-CB 4.36Å; L223-G302 WeakPolarHBondContact CD2-O 3.27Å; L223-R304 HydrophobicContact CD2-CG 3.7Å; L223-R304 HydrophobicContact CG-CG 4.04Å; L223-R304 PolarHBondContact O-NH2 3.34Å
224D87.2Confident83.3Confident44 Ų4458.6 Ų58.624%0.23530%0.299CS..  trans-59137.6-169.4-79.6-15.4000111.5K198 Y222 P249 A250K198-D224 IonicContact NZ-OD1 3.78Å; K198-D224 PolarHBondContact NZ-OD1 3.16Å; K198-D224 IonicContact NZ-OD2 2.72Å; K198-D224 PolarHBondContact NZ-OD2 3.45Å; Y222-D224 WeakPolarHBondContact CD2-OD1 3.23Å; D224-P249 HydrophobicContact CB-CB 4.44Å; D224-P249 WeakPolarHBondContact O-CB 3.29Å; D224-A250 WeakPolarHBondContact CB-O 3.18Å; D224-A250 PolarHBondContact N-O 2.88Å
225T76.4Confident83.8Confident109 Ų10960.8 Ų60.867%0.66931%0.309SS*.  trans-91.5-14.3178.854.80000112.5L223 F227L223-T225 PolarHBondContact O-N 3.28Å; T225-F227 PolarHBondContact O-N 2.82Å
226L63.1Low84Confident168 Ų16859.3 Ų59.388%0.8830%0.301SS*.  trans-7562.5179.3-70.1174.6000110.6
227F61.6Low84.2Confident31 Ų3160.7 Ų60.714%0.13631%0.311CS..  trans-129.7125.8-179.4-157.4-67.3000108.6T225 T229 R247 P249 F306T225-F227 PolarHBondContact O-N 2.82Å; F227-T229 PolarHBondContact O-N 2.96Å; F227-T229 PolarHBondContact O-OG1 3.4Å; F227-R247 HydrophobicContact CD2-CB 4.44Å; F227-R247 HydrophobicContact CE1-CB 3.98Å; F227-R247 HydrophobicContact CE2-CB 3.33Å; F227-R247 WeakPolarHBondContact CE2-O 2.99Å; F227-R247 HydrophobicContact CZ-CB 3.12Å; F227-R247 HydrophobicContact CZ-CG 4.34Å; F227-R247 WeakPolarHBondContact CZ-O 3.34Å; F227-P249 HydrophobicContact CD2-CB 3.85Å; F227-P249 HydrophobicContact CD2-CG 4.22Å; F227-F306 HydrophobicContact CB-CE1 3.88Å; F227-F306 HydrophobicContact CB-CZ 3.94Å; F227-F306 AromaticContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD2 4.43Å; F227-F306 AromaticContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE2 4.06Å; F227-F306 HydrophobicContact CD1-CG 4.04Å; F227-F306 AromaticContact CD1-CZ 3.21Å; F227-F306 HydrophobicContact CD1-CZ 3.21Å; F227-F306 AromaticContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE2 4Å; F227-F306 AromaticContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CD2-CZ 3.43Å; F227-F306 VanDerWaalsContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CE1-CB 4.3Å; F227-F306 AromaticContact CE1-CD1 2.9Å; F227-F306 HydrophobicContact CE1-CD1 2.9Å; F227-F306 AromaticContact CE1-CD2 3.71Å; F227-F306 HydrophobicContact CE1-CD2 3.71Å; F227-F306 AromaticContact CE1-CE1 2.97Å; F227-F306 HydrophobicContact CE1-CE1 2.97Å; F227-F306 AromaticContact CE1-CE2 3.69Å; F227-F306 HydrophobicContact CE1-CE2 3.69Å; F227-F306 AromaticContact CE1-CG 3.32Å; F227-F306 HydrophobicContact CE1-CG 3.32Å; F227-F306 AromaticContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE2-CD2 4.16Å; F227-F306 HydrophobicContact CE2-CE1 4.05Å; F227-F306 AromaticContact CE2-CE2 3.56Å; F227-F306 HydrophobicContact CE2-CE2 3.56Å; F227-F306 AromaticContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CE2-CZ 3.47Å; F227-F306 VanDerWaalsContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CG-CD1 4.09Å; F227-F306 AromaticContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE2 4.13Å; F227-F306 AromaticContact CG-CZ 3.19Å; F227-F306 HydrophobicContact CG-CZ 3.19Å; F227-F306 AromaticContact CZ-CD1 3.56Å; F227-F306 HydrophobicContact CZ-CD1 3.56Å; F227-F306 AromaticContact CZ-CD2 3.41Å; F227-F306 HydrophobicContact CZ-CD2 3.41Å; F227-F306 VanDerWaalsContact CZ-CD2 3.41Å; F227-F306 AromaticContact CZ-CE1 3.5Å; F227-F306 HydrophobicContact CZ-CE1 3.5Å; F227-F306 AromaticContact CZ-CE2 3.26Å; F227-F306 HydrophobicContact CZ-CE2 3.26Å; F227-F306 AromaticContact CZ-CG 3.53Å; F227-F306 HydrophobicContact CZ-CG 3.53Å; F227-F306 AromaticContact CZ-CZ 3.29Å; F227-F306 HydrophobicContact CZ-CZ 3.29Å
228K56.5Low84.2Confident147 Ų14758 Ų5864%0.63931%0.307SS*.  trans-66.8102173.8-74.4-170.9174.6-169.80109.5T230K228-T230 PolarHBondContact O-N 3Å
229T65.8Low84.3Confident72 Ų7259.9 Ų59.944%0.44233%0.326SS..  trans-73.8-1.3173.2-31.80000112.1F227 P231F227-T229 PolarHBondContact O-N 2.96Å; F227-T229 PolarHBondContact O-OG1 3.4Å; T229-P231 VanDerWaalsContact O-CD 3.25Å; T229-P231 WeakPolarHBondContact O-CD 3.42Å
230T72.5Confident84.3Confident57 Ų5761.9 Ų61.935%0.3534%0.338SS..PPolyproline II helixtrans-57.1117.7-179.753.30000110.5K228 Q232 E461K228-T230 PolarHBondContact O-N 3Å; T230-Q232 PolarHBondContact O-N 2.79Å; T230-E461 WeakPolarHBondContact CG2-OE1 3.47Å
231P79.7Confident84.3Confident38 Ų3864.8 Ų64.825%0.24736%0.358CS..PPolyproline II helixtrans-53.3129174.6-25.633.1000111.3T229 Y307 Y476T229-P231 VanDerWaalsContact O-CD 3.25Å; T229-P231 WeakPolarHBondContact O-CD 3.42Å; P231-Y307 VanDerWaalsContact CA-O 3.32Å; P231-Y307 WeakPolarHBondContact CA-O 3.25Å; P231-Y476 VanDerWaalsContact CD-OH 3.3Å; P231-Y476 WeakPolarHBondContact CD-OH 3.38Å; P231-Y476 WeakPolarHBondContact CG-OH 3.49Å
232Q85.8Confident84.4Confident75 Ų7565.1 Ų65.135%0.3536%0.361SS..EExtended strand (participates in β ladder)trans-99.4123.2178-176.2-179.9-41.300109.7T230 V234 Y307 N308 H309T230-Q232 PolarHBondContact O-N 2.79Å; Q232-V234 HydrophobicContact CG-CG2 4.1Å; Q232-Y307 PolarHBondContact N-O 2.84Å; Q232-N308 CarbonylContact O-C 3.52Å; Q232-N308 VanDerWaalsContact O-CA 3.29Å; Q232-N308 WeakPolarHBondContact O-CA 3.43Å; Q232-H309 PolarHBondContact O-N 2.96Å
233V91.8Very high84.5Confident83 Ų8365.7 Ų65.750%0.50337%0.369SS..EExtended strand (participates in β ladder)trans-89.3128.4171.9-175.20000109H309 I311V233-H309 CarbonylContact C-O 3.57Å; V233-H309 WeakPolarHBondContact CA-O 3.43Å; V233-H309 HydrophobicContact CG2-CB 4.44Å; V233-I311 HydrophobicContact CG1-CD1 3.78Å; V233-I311 HydrophobicContact CG1-CG1 4.42Å
234V93.5Very high84.7Confident20 Ų2065.2 Ų65.212%0.12137%0.367CS..EExtended strand (participates in β ladder)trans-122.7124-179-175.80000108.6Q232 V242 L244 H309 L310 I311Q232-V234 HydrophobicContact CG-CG2 4.1Å; V234-V242 HydrophobicContact CG1-CG2 3.53Å; V234-L244 HydrophobicContact CB-CD2 4.22Å; V234-L244 HydrophobicContact CG1-CD2 4.34Å; V234-L244 HydrophobicContact CG2-CD2 4.1Å; V234-H309 PolarHBondContact N-O 2.89Å; V234-L310 HydrophobicContact CB-CD1 4.26Å; V234-L310 HydrophobicContact CG1-CD1 4.18Å; V234-L310 WeakPolarHBondContact O-CA 3.45Å; V234-I311 PolarHBondContact O-N 3.45Å
235H94.4Very high84.8Confident117 Ų11769.3 Ų69.354%0.54238%0.382SS..EExtended strand (participates in β ladder)trans-101.3139175.3-68.5-95000110.2I311H235-I311 WeakPolarHBondContact CA-O 3.44Å
236T94.8Very high85.4Confident18 Ų1864.2 Ų64.211%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-144.3158.2171.3-169.40000110.2V242 A285 L310 I311 V312 Q313T236-V242 HydrophobicContact CG2-CB 4.2Å; T236-V242 HydrophobicContact CG2-CG1 4.13Å; T236-A285 HydrophobicContact CG2-CB 3.82Å; T236-L310 HydrophobicContact CG2-CD1 3.8Å; T236-I311 PolarHBondContact N-O 3.28Å; T236-V312 HydrophobicContact CG2-CB 4.16Å; T236-V312 HydrophobicContact CG2-CG1 4.08Å; T236-V312 HydrophobicContact CG2-CG2 3.68Å; T236-V312 CarbonylContact O-C 3.59Å; T236-V312 WeakPolarHBondContact O-CA 3.38Å; T236-Q313 PolarHBondContact O-N 2.77Å
237S94.7Very high86.3Confident52 Ų5263.5 Ų63.536%0.36434%0.337SS..EExtended strand (participates in β ladder)trans-93152.7173.2-58.90000111.2G239 Q240 Q313S237-G239 PolarHBondContact O-N 2.73Å; S237-Q240 WeakPolarHBondContact O-CB 3.01Å; S237-Q240 PolarHBondContact O-N 2.84Å; S237-Q313 CarbonylContact C-O 3.53Å; S237-Q313 WeakPolarHBondContact CA-O 3.48Å
238V94.5Very high87.3Confident51 Ų5164.7 Ų64.731%0.30935%0.349SS..THydrogen-bonded Turntrans-54.3134.8172.8176.90000110Q240 A285 E287 V312 Q313 Q314V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 2.83Å; V238-A285 CarbonylContact C-O 3.58Å; V238-A285 WeakPolarHBondContact CA-O 3.5Å; V238-E287 HydrophobicContact CG2-CG 3.85Å; V238-V312 HydrophobicContact CB-CG1 4.49Å; V238-V312 HydrophobicContact CG2-CG1 3.75Å; V238-Q313 PolarHBondContact N-O 2.85Å; V238-Q314 HydrophobicContact CB-CG 4.47Å; V238-Q314 HydrophobicContact CG2-CG 3.78Å
239G93.1Very high88.8Confident39 Ų3958 Ų5840%0.40232%0.32SS..THydrogen-bonded Turntrans82.2-11.3-177.300000115.1S237 A285S237-G239 PolarHBondContact O-N 2.73Å; G239-A285 PolarHBondContact N-O 3.44Å
240Q94.4Very high89.9Confident119 Ų11957.1 Ų57.156%0.55632%0.32SS*.  trans-83.5149.3175-64.3-62.6-50.500111.3S237 V238 A285S237-Q240 WeakPolarHBondContact O-CB 3.01Å; S237-Q240 PolarHBondContact O-N 2.84Å; V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 2.83Å; Q240-A285 WeakPolarHBondContact O-CB 3.49Å; Q240-A285 PolarHBondContact O-N 2.99Å
241S94.8Very high90.8Very high60 Ų6055 Ų5542%0.4231%0.31SS..  trans-89.1137.4173.2-57.80000110.5I282 I283 S284S241-I282 CarbonylContact C-O 3.58Å; S241-I282 VanDerWaalsContact CA-O 3.23Å; S241-I282 WeakPolarHBondContact CA-O 3.45Å; S241-I283 WeakPolarHBondContact OG-CA 3.38Å; S241-S284 PolarHBondContact OG-N 2.85Å
242V95.3Very high91.4Very high11 Ų1155.2 Ų55.27%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-127141.4-17762.70000110.8V234 T236 M281 I282 A285 L310V234-V242 HydrophobicContact CG1-CG2 3.53Å; T236-V242 HydrophobicContact CG2-CB 4.2Å; T236-V242 HydrophobicContact CG2-CG1 4.13Å; V242-M281 CarbonylContact O-C 3.55Å; V242-M281 VanDerWaalsContact O-CA 3.32Å; V242-M281 WeakPolarHBondContact O-CA 3.48Å; V242-I282 HydrophobicContact CG1-CB 3.91Å; V242-I282 HydrophobicContact CG1-CD1 4.32Å; V242-I282 PolarHBondContact N-O 3.39Å; V242-I282 PolarHBondContact O-N 3.32Å; V242-A285 HydrophobicContact CG1-CB 4.5Å; V242-L310 HydrophobicContact CG1-CD1 4.02Å; V242-L310 HydrophobicContact CG1-CD2 4.1Å; V242-L310 HydrophobicContact CG2-CD1 4.05Å
243V94.7Very high91.7Very high59 Ų5953.7 Ų53.736%0.35830%0.304SS..EExtended strand (participates in β ladder)trans-111.2114.8176.3-177.50000109.7D279 L280 M281V243-D279 HydrophobicContact CG1-CB 4.01Å; V243-L280 CarbonylContact C-O 3.48Å; V243-L280 WeakPolarHBondContact CA-O 3.3Å; V243-M281 HydrophobicContact CG2-CB 4.13Å; V243-M281 HydrophobicContact CG2-CG 4.07Å
244L93.5Very high91.6Very high0 Ų052.4 Ų52.40%031%0.308CS..EExtended strand (participates in β ladder)trans-85111.4171.4-57.2179.9000108.6V234 W259 D279 L280 I282 Y293 N308 L310V234-L244 HydrophobicContact CB-CD2 4.22Å; V234-L244 HydrophobicContact CG1-CD2 4.34Å; V234-L244 HydrophobicContact CG2-CD2 4.1Å; L244-W259 HydrophobicContact CB-CH2 3.73Å; L244-W259 HydrophobicContact CB-CZ2 4.32Å; L244-W259 HydrophobicContact CB-CZ3 4.2Å; L244-W259 WeakPolarHBondContact O-CZ2 3.42Å; L244-D279 WeakPolarHBondContact O-CA 3.45Å; L244-L280 HydrophobicContact CB-CB 4.43Å; L244-L280 HydrophobicContact CD1-CD2 4.37Å; L244-L280 PolarHBondContact N-O 3.02Å; L244-L280 PolarHBondContact O-N 3.41Å; L244-I282 HydrophobicContact CD1-CD1 4.03Å; L244-Y293 HydrophobicContact CD1-CD1 3.61Å; L244-Y293 HydrophobicContact CD1-CD2 3.66Å; L244-Y293 HydrophobicContact CD1-CE1 4.12Å; L244-Y293 HydrophobicContact CD1-CE2 4.16Å; L244-Y293 HydrophobicContact CD1-CG 3.35Å; L244-N308 HydrophobicContact CD2-CB 4.41Å; L244-L310 HydrophobicContact CD2-CB 4.46Å; L244-L310 HydrophobicContact CD2-CD1 4.37Å
245K90.8Very high91.5Very high129 Ų12953 Ų5356%0.56131%0.312SS*.  trans-80.4128.1-178.8-66-172.5178.1-177.20109.9D279 N308K245-D279 VanDerWaalsContact CA-OD1 3.28Å; K245-D279 WeakPolarHBondContact CA-OD1 3.47Å; K245-N308 PolarHBondContact O-ND2 2.9Å
246C88.8Confident91.4Very high3 Ų351.4 Ų51.42%0.0231%0.308CS..  trans-107.6111.6162.5-174.60000107.1S248 L257 W259 S278 D279 C295C246-S248 PolarHBondContact O-N 2.67Å; C246-L257 HydrophobicContact CB-CD1 4.27Å; C246-W259 HydrophobicContact CB-CH2 4.04Å; C246-W259 HydrophobicContact CB-CZ2 3.51Å; C246-S278 VanDerWaalsContact CB-O 3.23Å; C246-S278 WeakPolarHBondContact CB-O 3.38Å; C246-S278 WeakPolarHBondContact O-CB 3.25Å; C246-S278 PolarHBondContact O-OG 3.45Å; C246-D279 PolarHBondContact N-OD1 3.06Å; C246-C295 HydrophobicContact CB-CB 3.59Å; C246-C295 WeakPolarHBondContact CB-SG 3.4Å; C246-C295 WeakPolarHBondContact SG-CB 3.43Å; C246-C295 CovalentContact SG-SG 2.02Å; C246-C295 PolarHBondContact SG-SG 2.87Å
247R80.6Confident91.2Very high153 Ų15352.8 Ų52.858%0.57731%0.314SS*.PPolyproline II helixtrans-65.3133.2161.8-60.4166-161.2-154.51.8103.6F227F227-R247 HydrophobicContact CD2-CB 4.44Å; F227-R247 HydrophobicContact CE1-CB 3.98Å; F227-R247 HydrophobicContact CE2-CB 3.33Å; F227-R247 WeakPolarHBondContact CE2-O 2.99Å; F227-R247 HydrophobicContact CZ-CB 3.12Å; F227-R247 HydrophobicContact CZ-CG 4.34Å; F227-R247 WeakPolarHBondContact CZ-O 3.34Å
248S84Confident91.2Very high55 Ų5554.7 Ų54.739%0.38531%0.313SS..PPolyproline II helixtrans-100127171.1-178.80000107.7C246 V297C246-S248 PolarHBondContact O-N 2.67Å; S248-V297 WeakPolarHBondContact OG-CG1 3.36Å
249P87.2Confident91.2Very high7 Ų752.5 Ų52.55%0.04530%0.299CS..PPolyproline II helixtrans-58.9145170.825.1-34.6000109.1L223 D224 F227 P255 V297 R304 F306L223-P249 HydrophobicContact CD1-CB 4.3Å; L223-P249 HydrophobicContact CD1-CG 3.88Å; L223-P249 HydrophobicContact CG-CG 4.35Å; D224-P249 HydrophobicContact CB-CB 4.44Å; D224-P249 WeakPolarHBondContact O-CB 3.29Å; F227-P249 HydrophobicContact CD2-CB 3.85Å; F227-P249 HydrophobicContact CD2-CG 4.22Å; P249-P255 WeakPolarHBondContact O-CG 3.24Å; P249-V297 HydrophobicContact CG-CB 4.16Å; P249-V297 HydrophobicContact CG-CG1 3.85Å; P249-R304 HydrophobicContact CG-CB 4.28Å; P249-R304 HydrophobicContact CG-CG 4.18Å; P249-F306 VanDerWaalsContact CD-CE2 3.48Å; P249-F306 HydrophobicContact CG-CE2 4.27Å; P249-F306 HydrophobicContact CG-CZ 4.15Å
250A88.6Confident91.2Very high53 Ų5351.7 Ų51.744%0.43829%0.285SS..PPolyproline II helixtrans-68.7145.4170.100000109.4D224D224-A250 WeakPolarHBondContact CB-O 3.18Å; D224-A250 PolarHBondContact N-O 2.88Å
251G90.7Very high91.2Very high14 Ų1448.1 Ų48.114%0.14427%0.268CS..EExtended strand (participates in β ladder)trans-160157.1-179.600000112Y222 P253Y222-G251 CarbonylContact O-C 3.43Å; Y222-G251 WeakPolarHBondContact O-CA 3.49Å; G251-P253 CarbonylContact C-O 3.49Å; G251-P253 CarbonylContact O-C 3.6Å
252F92.5Very high90.9Very high42 Ų4249.9 Ų49.918%0.18427%0.272CS..EExtended strand (participates in β ladder)trans-129.3129.2171.4-177.2-96000110.1L130 R219 I220 V221 Y222L130-F252 HydrophobicContact CD2-CE1 4.05Å; R219-F252 HydrophobicContact CB-CD1 4.44Å; R219-F252 HydrophobicContact CB-CE1 3.73Å; R219-F252 VanDerWaalsContact CZ-CE2 3.48Å; I220-F252 WeakPolarHBondContact O-CD1 3.32Å; V221-F252 CarbonylContact C-O 3.51Å; V221-F252 WeakPolarHBondContact CA-O 2.76Å; V221-F252 WeakPolarHBondContact CB-O 2.85Å; V221-F252 HydrophobicContact CG1-CD1 4.09Å; V221-F252 HydrophobicContact CG1-CE1 4.26Å; Y222-F252 HydrophobicContact CD1-CB 3.91Å; Y222-F252 HydrophobicContact CE1-CB 3.55Å; Y222-F252 PolarHBondContact N-O 2.99Å; Y222-F252 VanDerWaalsContact N-O 3.1Å; Y222-F252 PolarHBondContact O-N 2.89Å
253P91.8Very high90.7Very high42 Ų4252.1 Ų52.127%0.27330%0.297SS..SBendcis-54.2160.3-14.1-21.334.9000111.7G251 N299G251-P253 CarbonylContact C-O 3.49Å; G251-P253 CarbonylContact O-C 3.6Å; P253-N299 PolarHBondContact O-ND2 3.18Å
254G90.8Very high90.6Very high57 Ų5757.2 Ų57.259%0.58832%0.315SS*.PPolyproline II helixtrans-50.1128.6-179.700000110.4
255P91.1Very high90.6Very high33 Ų3361.4 Ų61.421%0.21434%0.337CS..PPolyproline II helixtrans-75.3149.9-171.431.3-35.3000111.6L223 P249 V297 W298 N299L223-P255 HydrophobicContact CD1-CB 3.98Å; L223-P255 HydrophobicContact CD1-CG 4.3Å; P249-P255 WeakPolarHBondContact O-CG 3.24Å; P255-V297 HydrophobicContact CB-CG1 3.49Å; P255-V297 VanDerWaalsContact CB-CG1 3.49Å; P255-V297 HydrophobicContact CG-CG1 3.73Å; P255-W298 CarbonylContact C-O 3.58Å; P255-W298 VanDerWaalsContact CA-O 3.29Å; P255-W298 WeakPolarHBondContact CA-O 3.27Å; P255-W298 WeakPolarHBondContact CB-O 3.33Å; P255-N299 HydrophobicContact CB-CB 4.28Å
256N92.2Very high90.7Very high83 Ų8356.6 Ų56.644%0.44432%0.318SS..EExtended strand (participates in β ladder)trans-85155.3170.9-66.9-52.6000110V297 W298N256-V297 CarbonylContact O-C 3.58Å; N256-V297 VanDerWaalsContact O-CA 3.27Å; N256-V297 WeakPolarHBondContact O-CA 3.31Å; N256-W298 HydrophobicContact CB-CD2 4.22Å; N256-W298 HydrophobicContact CB-CG 4.38Å; N256-W298 HydrophobicContact CB-CZ2 3.93Å; N256-W298 VanDerWaalsContact CB-NE1 3.33Å; N256-W298 PolarHBondContact N-O 2.88Å; N256-W298 WeakPolarHBondContact ND2-CZ2 3.37Å; N256-W298 PolarHBondContact O-N 2.95Å
257L91.9Very high90.7Very high46 Ų4665.2 Ų65.224%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-133.9139-176.7-174.2149.1000110.8C246 M274 S278 C295 I296 V297C246-L257 HydrophobicContact CB-CD1 4.27Å; L257-M274 HydrophobicContact CD2-CE 4.13Å; L257-S278 VanDerWaalsContact CD1-CA 3.46Å; L257-S278 VanDerWaalsContact CD1-CB 3.5Å; L257-C295 VanDerWaalsContact CD1-SG 3.53Å; L257-I296 CarbonylContact C-O 3.59Å; L257-I296 WeakPolarHBondContact CA-O 3.16Å; L257-V297 HydrophobicContact CB-CG2 4.49Å; L257-V297 HydrophobicContact CD1-CG2 3.81Å; L257-V297 HydrophobicContact CG-CG2 4.1Å
258R92.9Very high91.1Very high92 Ų9262.2 Ų62.235%0.34735%0.35SS..EExtended strand (participates in β ladder)trans-141154.5168.870.2179.4-164.9-136.13.2111.2E260 I296R258-E260 IonicContact CZ-OE1 2.89Å; R258-E260 VanDerWaalsContact CZ-OE1 3.3Å; R258-E260 IonicContact NE-OE1 3.85Å; R258-E260 PolarHBondContact NE-OE1 3.19Å; R258-E260 IonicContact NH2-OE1 2.78Å; R258-E260 PolarHBondContact NH2-OE1 3.35Å; R258-I296 HydrophobicContact CG-CB 3.93Å; R258-I296 PolarHBondContact N-O 3.29Å; R258-I296 PolarHBondContact O-N 3.41Å
259W94.4Very high91.4Very high6 Ų663 Ų632%0.02335%0.35CS..EExtended strand (participates in β ladder)trans-105.9140.4174.2-77.295.1000110.8L244 C246 I265 V266 S278 L280 T294 C295L244-W259 HydrophobicContact CB-CH2 3.73Å; L244-W259 HydrophobicContact CB-CZ2 4.32Å; L244-W259 HydrophobicContact CB-CZ3 4.2Å; L244-W259 WeakPolarHBondContact O-CZ2 3.42Å; C246-W259 HydrophobicContact CB-CH2 4.04Å; C246-W259 HydrophobicContact CB-CZ2 3.51Å; W259-I265 WeakPolarHBondContact O-CA 3.39Å; W259-V266 HydrophobicContact CB-CB 4.02Å; W259-V266 HydrophobicContact CB-CG2 4.36Å; W259-V266 PolarHBondContact O-N 2.91Å; W259-S278 WeakPolarHBondContact CZ2-O 3.43Å; W259-S278 PolarHBondContact NE1-O 2.84Å; W259-L280 HydrophobicContact CB-CD2 4.18Å; W259-L280 HydrophobicContact CD2-CB 3.91Å; W259-L280 HydrophobicContact CD2-CD2 3.95Å; W259-L280 HydrophobicContact CE3-CD2 4.22Å; W259-L280 HydrophobicContact CG-CB 4.15Å; W259-L280 HydrophobicContact CG-CD2 3.95Å; W259-L280 HydrophobicContact CZ2-CB 3.84Å; W259-T294 WeakPolarHBondContact CA-O 3.31Å; W259-C295 HydrophobicContact CD2-CB 4.11Å; W259-C295 HydrophobicContact CE3-CB 3.97Å; W259-C295 HydrophobicContact CH2-CB 3.88Å; W259-C295 HydrophobicContact CZ2-CB 4Å; W259-C295 HydrophobicContact CZ3-CB 3.84Å
260E94.8Very high91.4Very high21 Ų2165.9 Ų65.910%0.09838%0.382CS..EExtended strand (participates in β ladder)trans-125.6134.4171.4-72.4176.3-168.900109.3R258 K264 I265 Y293 T294 I296 R305R258-E260 IonicContact CZ-OE1 2.89Å; R258-E260 VanDerWaalsContact CZ-OE1 3.3Å; R258-E260 IonicContact NE-OE1 3.85Å; R258-E260 PolarHBondContact NE-OE1 3.19Å; R258-E260 IonicContact NH2-OE1 2.78Å; R258-E260 PolarHBondContact NH2-OE1 3.35Å; E260-K264 CarbonylContact C-O 3.59Å; E260-K264 WeakPolarHBondContact CA-O 3.27Å; E260-I265 HydrophobicContact CG-CG1 4.17Å; E260-Y293 CarbonylContact O-C 3.58Å; E260-Y293 VanDerWaalsContact O-CA 3.31Å; E260-Y293 WeakPolarHBondContact O-CA 3.47Å; E260-T294 PolarHBondContact N-O 3.35Å; E260-T294 PolarHBondContact O-N 3.12Å; E260-I296 HydrophobicContact CG-CD1 3.94Å; E260-I296 WeakPolarHBondContact OE1-CD1 3.43Å; E260-I296 VanDerWaalsContact OE2-CD1 3.24Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.29Å; E260-R305 IonicContact OE2-NH1 3.78Å
261K94.1Very high91.5Very high45 Ų4565.8 Ų65.820%0.19637%0.372CS..EExtended strand (participates in β ladder)trans-109.5120.3169.3-176.6-169.8-169.7-77.80107.4G263 K264 V266 E288 D289 T290 E292 Y293K261-G263 PolarHBondContact O-N 3.15Å; K261-G263 VanDerWaalsContact O-N 3.09Å; K261-K264 PolarHBondContact N-O 3.08Å; K261-K264 PolarHBondContact O-N 2.94Å; K261-V266 HydrophobicContact CB-CG2 3.67Å; K261-E288 PolarHBondContact NZ-O 2.06Å; K261-D289 VanDerWaalsContact CE-O 3.29Å; K261-D289 WeakPolarHBondContact CE-O 3.39Å; K261-T290 PolarHBondContact NZ-O 2.78Å; K261-E292 WeakPolarHBondContact CA-O 3.28Å; K261-Y293 HydrophobicContact CB-CD1 4.03Å; K261-Y293 HydrophobicContact CB-CE1 3.88Å; K261-Y293 HydrophobicContact CD-CE1 3.94Å; K261-Y293 HydrophobicContact CD-CE2 4.2Å; K261-Y293 WeakPolarHBondContact CD-OH 3.38Å; K261-Y293 VanDerWaalsContact CE-OH 3.22Å; K261-Y293 WeakPolarHBondContact CE-OH 3.47Å; K261-Y293 HydrophobicContact CG-CD1 4.27Å; K261-Y293 HydrophobicContact CG-CD2 4.48Å; K261-Y293 HydrophobicContact CG-CE1 3.9Å; K261-Y293 HydrophobicContact CG-CE2 4.11Å
262D89.1Confident91.6Very high96 Ų9668 Ų6851%0.51338%0.376SS..THydrogen-bonded Turntrans50.838.6178.2-48.8-45.5000112.5K264 E292D262-K264 PolarHBondContact O-N 3.08Å; D262-E292 PolarHBondContact N-O 2.89Å; D262-E292 PolarHBondContact OD1-N 2.93Å
263G89.6Confident91.5Very high58 Ų5871.3 Ų71.360%0.59839%0.39SS*.THydrogen-bonded Turntrans82.30.1-178.900000116.3K261K261-G263 PolarHBondContact O-N 3.15Å; K261-G263 VanDerWaalsContact O-N 3.09Å
264K93.8Very high91.4Very high167 Ų16772.8 Ų72.873%0.72639%0.394SS*.EExtended strand (participates in β ladder)trans-105.3134.2177.3-64.8178.4-177.6173.80111E260 K261 D262 V266E260-K264 CarbonylContact C-O 3.59Å; E260-K264 WeakPolarHBondContact CA-O 3.27Å; K261-K264 PolarHBondContact N-O 3.08Å; K261-K264 PolarHBondContact O-N 2.94Å; D262-K264 PolarHBondContact O-N 3.08Å; K264-V266 PolarHBondContact O-N 3.1Å
265I93.7Very high91.2Very high88 Ų8874.4 Ų74.445%0.45139%0.393SS..EExtended strand (participates in β ladder)trans-61.1124179-62172.6000110.2W259 E260W259-I265 WeakPolarHBondContact O-CA 3.39Å; E260-I265 HydrophobicContact CG-CG1 4.17Å
266V92.4Very high90.9Very high27 Ų2774.4 Ų74.416%0.16439%0.393CS..PPolyproline II helixtrans-81119.9172.2-177.20000108.1W259 K261 K264 R272 L280 Y293W259-V266 HydrophobicContact CB-CB 4.02Å; W259-V266 HydrophobicContact CB-CG2 4.36Å; W259-V266 PolarHBondContact O-N 2.91Å; K261-V266 HydrophobicContact CB-CG2 3.67Å; K264-V266 PolarHBondContact O-N 3.1Å; V266-R272 HydrophobicContact CG1-CB 4.37Å; V266-R272 HydrophobicContact CG1-CG 4.24Å; V266-L280 HydrophobicContact CG1-CD1 4.43Å; V266-L280 HydrophobicContact CG1-CD2 4.13Å; V266-Y293 HydrophobicContact CG2-CD1 4.4Å; V266-Y293 HydrophobicContact CG2-CE1 4.36Å
267R89.3Confident90.5Very high184 Ų18476.3 Ų76.369%0.69441%0.41SS*.PPolyproline II helixtrans-98.2140.5171.2-68.9-171.4172.786.6-1.3109.1D269R267-D269 PolarHBondContact O-N 2.83Å
268P87.4Confident90.3Very high90 Ų9075.1 Ų75.158%0.58441%0.406SS*.PPolyproline II helixtrans-56.6133.8170.4-23.133.5000110.6R272 M274P268-R272 CarbonylContact C-O 3.53Å; P268-R272 VanDerWaalsContact CA-O 3.24Å; P268-R272 WeakPolarHBondContact CA-O 3.39Å; P268-M274 HydrophobicContact CG-CG 4.21Å
269D90.2Very high90.2Very high71 Ų7172.4 Ų72.438%0.3840%0.398SS..  trans-142.4-165.2177.666.522.7000109.5R267 Q271 R272R267-D269 PolarHBondContact O-N 2.83Å; D269-Q271 PolarHBondContact O-N 3.24Å; D269-Q271 WeakPolarHBondContact OD1-CA 3.5Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.49Å; D269-Q271 PolarHBondContact OD1-N 3.39Å; D269-R272 PolarHBondContact N-O 2.82Å; D269-R272 WeakPolarHBondContact OD1-CD 3.35Å; D269-R272 PolarHBondContact OD1-N 3.32Å; D269-R272 IonicContact OD1-NH1 3.99Å; D269-R272 VanDerWaalsContact OD2-CD 3.29Å; D269-R272 WeakPolarHBondContact OD2-CD 3.29Å; D269-R272 IonicContact OD2-CZ 2.9Å; D269-R272 IonicContact OD2-NE 3.23Å; D269-R272 IonicContact OD2-NH1 2.79Å; D269-R272 PolarHBondContact OD2-NH1 3.46Å
270G87.2Confident90.2Very high69 Ų6972.2 Ų72.271%0.71140%0.398SS*.SBendtrans-62.3-30.5177.700000113.9
271Q90.6Very high90.2Very high50 Ų5073.7 Ų73.723%0.23441%0.405CS..SBendtrans-95.2-31.5-177-161.5-170.80.200112.1D269 I282 I283 S284 D289D269-Q271 PolarHBondContact O-N 3.24Å; D269-Q271 WeakPolarHBondContact OD1-CA 3.5Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.49Å; D269-Q271 PolarHBondContact OD1-N 3.39Å; Q271-I282 CarbonylContact O-C 3.54Å; Q271-I282 WeakPolarHBondContact O-CA 3.47Å; Q271-I283 WeakPolarHBondContact CG-O 3.25Å; Q271-I283 PolarHBondContact O-N 2.88Å; Q271-S284 PolarHBondContact NE2-O 3.1Å; Q271-D289 PolarHBondContact NE2-OD2 3.26Å
272R92.8Very high90.3Very high62 Ų6271.5 Ų71.523%0.23440%0.396CS..EExtended strand (participates in β ladder)trans-111.5118.8-178.2-63.699.5-175.1172.99.5111V266 P268 D269 L280 M281 I282 D289V266-R272 HydrophobicContact CG1-CB 4.37Å; V266-R272 HydrophobicContact CG1-CG 4.24Å; P268-R272 CarbonylContact C-O 3.53Å; P268-R272 VanDerWaalsContact CA-O 3.24Å; P268-R272 WeakPolarHBondContact CA-O 3.39Å; D269-R272 PolarHBondContact N-O 2.82Å; D269-R272 WeakPolarHBondContact OD1-CD 3.35Å; D269-R272 PolarHBondContact OD1-N 3.32Å; D269-R272 IonicContact OD1-NH1 3.99Å; D269-R272 VanDerWaalsContact OD2-CD 3.29Å; D269-R272 WeakPolarHBondContact OD2-CD 3.29Å; D269-R272 IonicContact OD2-CZ 2.9Å; D269-R272 IonicContact OD2-NE 3.23Å; D269-R272 IonicContact OD2-NH1 2.79Å; D269-R272 PolarHBondContact OD2-NH1 3.46Å; R272-L280 HydrophobicContact CB-CD1 4.19Å; R272-M281 CarbonylContact C-O 3.37Å; R272-M281 VanDerWaalsContact CA-O 3.32Å; R272-M281 WeakPolarHBondContact CA-O 3.3Å; R272-I282 HydrophobicContact CG-CG1 4.3Å; R272-D289 IonicContact CZ-OD1 3.96Å; R272-D289 IonicContact NE-OD1 2.67Å; R272-D289 IonicContact NH2-OD1 3.77Å; R272-D289 PolarHBondContact NH2-OD1 2.86Å
273K91.1Very high90.5Very high110 Ų11069.3 Ų69.348%0.47838%0.383SS..EExtended strand (participates in β ladder)trans-126.3144.7179.8-63.1-169.7-174.4174.40111.9M281 I283K273-M281 PolarHBondContact N-O 2.83Å; K273-M281 PolarHBondContact O-N 3.11Å; K273-I283 HydrophobicContact CD-CD1 3.74Å; K273-I283 HydrophobicContact CG-CD1 4.03Å
274M90.9Very high90.8Very high74 Ų7469.5 Ų69.537%0.36538%0.376SS..EExtended strand (participates in β ladder)trans-82.3115.3168.1-63.7-59.2-59.600108.6L257 P268 S276 D279 L280L257-M274 HydrophobicContact CD2-CE 4.13Å; P268-M274 HydrophobicContact CG-CG 4.21Å; M274-S276 WeakPolarHBondContact CE-O 3.34Å; M274-D279 WeakPolarHBondContact CA-O 3.42Å; M274-L280 HydrophobicContact SD-CB 4.44Å; M274-L280 HydrophobicContact SD-CD1 4.01Å
275V86.4Confident90.8Very high91 Ų9161.6 Ų61.655%0.55234%0.341SS*.SBendtrans-85-32.5179.11770000111.1D279 M281V275-D279 PolarHBondContact N-O 2.64Å; V275-M281 HydrophobicContact CG2-CB 3.36Å; V275-M281 HydrophobicContact CG2-CG 4.16Å; V275-M281 HydrophobicContact CG2-SD 3.75Å
276S84.8Confident90.9Very high33 Ų3359.8 Ų59.823%0.23133%0.334CS..SBendtrans-131.7173.9171.973.30000108.2M274 S278 D279M274-S276 WeakPolarHBondContact CE-O 3.34Å; S276-S278 PolarHBondContact O-N 3.4Å; S276-S278 PolarHBondContact OG-N 2.78Å; S276-S278 PolarHBondContact OG-OG 3.02Å; S276-D279 VanDerWaalsContact OG-CB 3.3Å; S276-D279 WeakPolarHBondContact OG-CB 3.28Å; S276-D279 PolarHBondContact OG-N 3.08Å; S276-D279 PolarHBondContact OG-OD2 3.27Å
277P82.4Confident90.9Very high123 Ų12363.2 Ų63.280%0.79935%0.349SS*.SBendtrans-54.9-16.7173.5-24.734.4000113.6
278S87.7Confident91.1Very high21 Ų2162.6 Ų62.615%0.14735%0.353CS..SBendtrans-118.6-32-176.960.70000115.5C246 L257 W259 S276C246-S278 VanDerWaalsContact CB-O 3.23Å; C246-S278 WeakPolarHBondContact CB-O 3.38Å; C246-S278 WeakPolarHBondContact O-CB 3.25Å; C246-S278 PolarHBondContact O-OG 3.45Å; L257-S278 VanDerWaalsContact CD1-CA 3.46Å; L257-S278 VanDerWaalsContact CD1-CB 3.5Å; W259-S278 WeakPolarHBondContact CZ2-O 3.43Å; W259-S278 PolarHBondContact NE1-O 2.84Å; S276-S278 PolarHBondContact O-N 3.4Å; S276-S278 PolarHBondContact OG-N 2.78Å; S276-S278 PolarHBondContact OG-OG 3.02Å
279D91.3Very high91.4Very high34 Ų3458.4 Ų58.418%0.18233%0.326CS..PPolyproline II helixtrans-94133.5-168.2-54.7-37.1000112.7V243 L244 K245 C246 M274 V275 S276V243-D279 HydrophobicContact CG1-CB 4.01Å; L244-D279 WeakPolarHBondContact O-CA 3.45Å; K245-D279 VanDerWaalsContact CA-OD1 3.28Å; K245-D279 WeakPolarHBondContact CA-OD1 3.47Å; C246-D279 PolarHBondContact N-OD1 3.06Å; M274-D279 WeakPolarHBondContact CA-O 3.42Å; V275-D279 PolarHBondContact N-O 2.64Å; S276-D279 VanDerWaalsContact OG-CB 3.3Å; S276-D279 WeakPolarHBondContact OG-CB 3.28Å; S276-D279 PolarHBondContact OG-N 3.08Å; S276-D279 PolarHBondContact OG-OD2 3.27Å
280L93.9Very high91.6Very high3 Ų357.4 Ų57.42%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-101.7122.9-180179.467.8000110.1V243 L244 W259 V266 R272 M274 Y293V243-L280 CarbonylContact C-O 3.48Å; V243-L280 WeakPolarHBondContact CA-O 3.3Å; L244-L280 HydrophobicContact CB-CB 4.43Å; L244-L280 HydrophobicContact CD1-CD2 4.37Å; L244-L280 PolarHBondContact N-O 3.02Å; L244-L280 PolarHBondContact O-N 3.41Å; W259-L280 HydrophobicContact CB-CD2 4.18Å; W259-L280 HydrophobicContact CD2-CB 3.91Å; W259-L280 HydrophobicContact CD2-CD2 3.95Å; W259-L280 HydrophobicContact CE3-CD2 4.22Å; W259-L280 HydrophobicContact CG-CB 4.15Å; W259-L280 HydrophobicContact CG-CD2 3.95Å; W259-L280 HydrophobicContact CZ2-CB 3.84Å; V266-L280 HydrophobicContact CG1-CD1 4.43Å; V266-L280 HydrophobicContact CG1-CD2 4.13Å; R272-L280 HydrophobicContact CB-CD1 4.19Å; M274-L280 HydrophobicContact SD-CB 4.44Å; M274-L280 HydrophobicContact SD-CD1 4.01Å; L280-Y293 HydrophobicContact CD2-CD1 3.96Å; L280-Y293 HydrophobicContact CD2-CE1 4.19Å
281M95.4Very high91.9Very high51 Ų5154.6 Ų54.625%0.25129%0.294SS..EExtended strand (participates in β ladder)trans-102.5131.2172.1-180178.7-17300110.6V242 V243 R272 K273 V275 I283V242-M281 CarbonylContact O-C 3.55Å; V242-M281 VanDerWaalsContact O-CA 3.32Å; V242-M281 WeakPolarHBondContact O-CA 3.48Å; V243-M281 HydrophobicContact CG2-CB 4.13Å; V243-M281 HydrophobicContact CG2-CG 4.07Å; R272-M281 CarbonylContact C-O 3.37Å; R272-M281 VanDerWaalsContact CA-O 3.32Å; R272-M281 WeakPolarHBondContact CA-O 3.3Å; K273-M281 PolarHBondContact N-O 2.83Å; K273-M281 PolarHBondContact O-N 3.11Å; V275-M281 HydrophobicContact CG2-CB 3.36Å; V275-M281 HydrophobicContact CG2-CG 4.16Å; V275-M281 HydrophobicContact CG2-SD 3.75Å; M281-I283 HydrophobicContact CE-CG1 4.2Å; M281-I283 HydrophobicContact CG-CG1 4.29Å; M281-I283 HydrophobicContact SD-CG1 4.4Å
282I95.8Very high92.1Very high0 Ų055.6 Ų55.60%030%0.298CS..EExtended strand (participates in β ladder)trans-106.2116170.1-58.8163.1000106.6S241 V242 L244 Q271 R272 A285 D289 Y293 L310S241-I282 CarbonylContact C-O 3.58Å; S241-I282 VanDerWaalsContact CA-O 3.23Å; S241-I282 WeakPolarHBondContact CA-O 3.45Å; V242-I282 HydrophobicContact CG1-CB 3.91Å; V242-I282 HydrophobicContact CG1-CD1 4.32Å; V242-I282 PolarHBondContact N-O 3.39Å; V242-I282 PolarHBondContact O-N 3.32Å; L244-I282 HydrophobicContact CD1-CD1 4.03Å; Q271-I282 CarbonylContact O-C 3.54Å; Q271-I282 WeakPolarHBondContact O-CA 3.47Å; R272-I282 HydrophobicContact CG-CG1 4.3Å; I282-A285 HydrophobicContact CG2-CB 4.41Å; I282-D289 HydrophobicContact CG2-CB 4.47Å; I282-Y293 HydrophobicContact CD1-CE1 3.89Å; I282-Y293 HydrophobicContact CD1-CE2 4.24Å; I282-Y293 WeakPolarHBondContact CD1-OH 3.11Å; I282-L310 HydrophobicContact CD1-CD2 3.57Å
283I94.9Very high92.2Very high50 Ų5052.7 Ų52.726%0.25629%0.288SS..SBendtrans-86131.7179.9-59.5170.1000108S241 Q271 K273 M281S241-I283 WeakPolarHBondContact OG-CA 3.38Å; Q271-I283 WeakPolarHBondContact CG-O 3.25Å; Q271-I283 PolarHBondContact O-N 2.88Å; K273-I283 HydrophobicContact CD-CD1 3.74Å; K273-I283 HydrophobicContact CG-CD1 4.03Å; M281-I283 HydrophobicContact CE-CG1 4.2Å; M281-I283 HydrophobicContact CG-CG1 4.29Å; M281-I283 HydrophobicContact SD-CG1 4.4Å
284S94.4Very high92.2Very high62 Ų6247.9 Ų47.943%0.43427%0.268SS..SBendtrans50.767.7178.8-1750000112.4S241 Q271S241-S284 PolarHBondContact OG-N 2.85Å; Q271-S284 PolarHBondContact NE2-O 3.1Å
285A94.9Very high92.3Very high0 Ų044.4 Ų44.40%025%0.25CS..  trans-58.5139.7-176.600000112.3T236 V238 G239 Q240 V242 I282 V312T236-A285 HydrophobicContact CG2-CB 3.82Å; V238-A285 CarbonylContact C-O 3.58Å; V238-A285 WeakPolarHBondContact CA-O 3.5Å; G239-A285 PolarHBondContact N-O 3.44Å; Q240-A285 WeakPolarHBondContact O-CB 3.49Å; Q240-A285 PolarHBondContact O-N 2.99Å; V242-A285 HydrophobicContact CG1-CB 4.5Å; I282-A285 HydrophobicContact CG2-CB 4.41Å; A285-V312 HydrophobicContact CB-CG1 4.11Å; A285-V312 HydrophobicContact CB-CG2 4.14Å
286T94.6Very high92.6Very high51 Ų5140 Ų4031%0.31322%0.224SC..  trans-111.9162.9175.963.40000110.1E288 D289 V312T286-E288 PolarHBondContact O-N 2.83Å; T286-D289 PolarHBondContact N-OD2 2.9Å; T286-D289 WeakPolarHBondContact O-CB 3.42Å; T286-D289 PolarHBondContact O-N 2.87Å; T286-D289 PolarHBondContact OG1-OD2 3.4Å; T286-V312 WeakPolarHBondContact O-CB 3.13Å; T286-V312 WeakPolarHBondContact O-CG1 3.2Å; T286-V312 WeakPolarHBondContact O-CG2 3.1Å
287E93Very high92.9Very high99 Ų9938.5 Ų38.546%0.46321%0.213SC..G310 helixtrans-58-31.9177.4-66.8-170.4156.800112.7V238 D289 T290 Q314V238-E287 HydrophobicContact CG2-CG 3.85Å; E287-D289 PolarHBondContact O-N 3.44Å; E287-T290 WeakPolarHBondContact O-CB 3.33Å; E287-T290 PolarHBondContact O-N 2.72Å; E287-T290 VanDerWaalsContact O-N 3.12Å; E287-T290 PolarHBondContact O-OG1 2.75Å; E287-Q314 VanDerWaalsContact OE1-CD 3.28Å; E287-Q314 VanDerWaalsContact OE1-CG 3.23Å; E287-Q314 WeakPolarHBondContact OE1-CG 3.46Å; E287-Q314 PolarHBondContact OE1-NE2 2.68Å
288E92.7Very high93.3Very high170 Ų17037.8 Ų37.879%0.79419%0.194SC*.G310 helixtrans-66.1-23176.9-60.1-179.2-172.700113.5K261 T286 T290K261-E288 PolarHBondContact NZ-O 2.06Å; T286-E288 PolarHBondContact O-N 2.83Å; E288-T290 PolarHBondContact O-N 3.22Å
289D94.1Very high93.5Very high2 Ų237.3 Ų37.31%0.01119%0.19CC..G310 helixtrans-72.8-13.3176.1-65.3-58.4000111.8K261 Q271 R272 I282 T286 E287 Y293 L310 V312K261-D289 VanDerWaalsContact CE-O 3.29Å; K261-D289 WeakPolarHBondContact CE-O 3.39Å; Q271-D289 PolarHBondContact NE2-OD2 3.26Å; R272-D289 IonicContact CZ-OD1 3.96Å; R272-D289 IonicContact NE-OD1 2.67Å; R272-D289 IonicContact NH2-OD1 3.77Å; R272-D289 PolarHBondContact NH2-OD1 2.86Å; I282-D289 HydrophobicContact CG2-CB 4.47Å; T286-D289 PolarHBondContact N-OD2 2.9Å; T286-D289 WeakPolarHBondContact O-CB 3.42Å; T286-D289 PolarHBondContact O-N 2.87Å; T286-D289 PolarHBondContact OG1-OD2 3.4Å; E287-D289 PolarHBondContact O-N 3.44Å; D289-Y293 WeakPolarHBondContact O-CE2 3.01Å; D289-Y293 PolarHBondContact O-OH 3.41Å; D289-L310 HydrophobicContact CB-CD2 4.35Å; D289-V312 HydrophobicContact CB-CG2 4.34Å
290T95.2Very high93.5Very high51 Ų5140.4 Ų40.431%0.31321%0.21SC..  trans-56.2136.4171-60.20000110.5K261 E287 E288 L310 V312K261-T290 PolarHBondContact NZ-O 2.78Å; E287-T290 WeakPolarHBondContact O-CB 3.33Å; E287-T290 PolarHBondContact O-N 2.72Å; E287-T290 VanDerWaalsContact O-N 3.12Å; E287-T290 PolarHBondContact O-OG1 2.75Å; E288-T290 PolarHBondContact O-N 3.22Å; T290-L310 WeakPolarHBondContact CA-O 3.22Å; T290-L310 WeakPolarHBondContact CG2-O 3.43Å; T290-V312 PolarHBondContact OG1-N 3.32Å; T290-V312 VanDerWaalsContact OG1-N 3.12Å
291G93.9Very high93.2Very high10 Ų1043.1 Ų43.110%0.10323%0.227CC..EExtended strand (participates in β ladder)trans155.1-172.9-179.100000114.3H309 L310G291-H309 PolarHBondContact O-ND1 3.45Å; G291-L310 PolarHBondContact N-O 3.1Å; G291-L310 VanDerWaalsContact N-O 3.09Å; G291-L310 PolarHBondContact O-N 3.29Å
292E94Very high93Very high70 Ų7042.2 Ų42.233%0.32723%0.23SC..EExtended strand (participates in β ladder)trans-97.3112.6177.6-170.1178.1-80.900110.8K261 D262 Y307K261-E292 WeakPolarHBondContact CA-O 3.28Å; D262-E292 PolarHBondContact N-O 2.89Å; D262-E292 PolarHBondContact OD1-N 2.93Å; E292-Y307 HydrophobicContact CG-CD1 4.44Å; E292-Y307 WeakPolarHBondContact OE2-CD1 3.35Å
293Y94Very high92.8Very high2 Ų246.2 Ų46.21%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-97115.8173.3-69.7-99.7000110L244 E260 K261 V266 L280 I282 D289 N308 L310L244-Y293 HydrophobicContact CD1-CD1 3.61Å; L244-Y293 HydrophobicContact CD1-CD2 3.66Å; L244-Y293 HydrophobicContact CD1-CE1 4.12Å; L244-Y293 HydrophobicContact CD1-CE2 4.16Å; L244-Y293 HydrophobicContact CD1-CG 3.35Å; E260-Y293 CarbonylContact O-C 3.58Å; E260-Y293 VanDerWaalsContact O-CA 3.31Å; E260-Y293 WeakPolarHBondContact O-CA 3.47Å; K261-Y293 HydrophobicContact CB-CD1 4.03Å; K261-Y293 HydrophobicContact CB-CE1 3.88Å; K261-Y293 HydrophobicContact CD-CE1 3.94Å; K261-Y293 HydrophobicContact CD-CE2 4.2Å; K261-Y293 WeakPolarHBondContact CD-OH 3.38Å; K261-Y293 VanDerWaalsContact CE-OH 3.22Å; K261-Y293 WeakPolarHBondContact CE-OH 3.47Å; K261-Y293 HydrophobicContact CG-CD1 4.27Å; K261-Y293 HydrophobicContact CG-CD2 4.48Å; K261-Y293 HydrophobicContact CG-CE1 3.9Å; K261-Y293 HydrophobicContact CG-CE2 4.11Å; V266-Y293 HydrophobicContact CG2-CD1 4.4Å; V266-Y293 HydrophobicContact CG2-CE1 4.36Å; L280-Y293 HydrophobicContact CD2-CD1 3.96Å; L280-Y293 HydrophobicContact CD2-CE1 4.19Å; I282-Y293 HydrophobicContact CD1-CE1 3.89Å; I282-Y293 HydrophobicContact CD1-CE2 4.24Å; I282-Y293 WeakPolarHBondContact CD1-OH 3.11Å; D289-Y293 WeakPolarHBondContact O-CE2 3.01Å; D289-Y293 PolarHBondContact O-OH 3.41Å; Y293-N308 PolarHBondContact N-O 3.21Å; Y293-N308 PolarHBondContact O-N 3.48Å; Y293-L310 HydrophobicContact CD2-CB 3.96Å; Y293-L310 HydrophobicContact CE2-CB 3.83Å; Y293-L310 HydrophobicContact CE2-CD2 3.83Å; Y293-L310 HydrophobicContact CE2-CG 4.47Å
294T93Very high92.5Very high9 Ų947.3 Ų47.36%0.05525%0.25CC..EExtended strand (participates in β ladder)trans-102.8119.2176.2-55.70000110.2W259 E260 I296 R305 F306 Y307W259-T294 WeakPolarHBondContact CA-O 3.31Å; E260-T294 PolarHBondContact N-O 3.35Å; E260-T294 PolarHBondContact O-N 3.12Å; T294-I296 HydrophobicContact CG2-CD1 4.47Å; T294-I296 HydrophobicContact CG2-CG1 3.83Å; T294-R305 HydrophobicContact CG2-CB 3.92Å; T294-R305 HydrophobicContact CG2-CG 4.34Å; T294-F306 CarbonylContact C-O 3.44Å; T294-F306 WeakPolarHBondContact CA-O 3.46Å; T294-Y307 HydrophobicContact CG2-CD1 4.07Å; T294-Y307 HydrophobicContact CG2-CE1 3.92Å; T294-Y307 WeakPolarHBondContact OG1-CD1 3.32Å
295C91.8Very high92.3Very high0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-84.9123.3165.6179.20000109.2C246 L257 W259 R305 F306C246-C295 HydrophobicContact CB-CB 3.59Å; C246-C295 WeakPolarHBondContact CB-SG 3.4Å; C246-C295 WeakPolarHBondContact SG-CB 3.43Å; C246-C295 CovalentContact SG-SG 2.02Å; C246-C295 PolarHBondContact SG-SG 2.87Å; L257-C295 VanDerWaalsContact CD1-SG 3.53Å; W259-C295 HydrophobicContact CD2-CB 4.11Å; W259-C295 HydrophobicContact CE3-CB 3.97Å; W259-C295 HydrophobicContact CH2-CB 3.88Å; W259-C295 HydrophobicContact CZ2-CB 4Å; W259-C295 HydrophobicContact CZ3-CB 3.84Å; C295-R305 CarbonylContact O-C 3.56Å; C295-R305 WeakPolarHBondContact O-CA 3.41Å; C295-F306 HydrophobicContact CB-CB 4.26Å; C295-F306 HydrophobicContact CB-CD2 4.44Å; C295-F306 PolarHBondContact N-O 3.45Å; C295-F306 PolarHBondContact O-N 3.05Å
296I91.9Very high92Very high0 Ų048.8 Ų48.80%025%0.246CC..EExtended strand (participates in β ladder)trans-112.9115.3-179.3-54.7176.3000108.5L257 R258 E260 T294 E303 R304 R305L257-I296 CarbonylContact C-O 3.59Å; L257-I296 WeakPolarHBondContact CA-O 3.16Å; R258-I296 HydrophobicContact CG-CB 3.93Å; R258-I296 PolarHBondContact N-O 3.29Å; R258-I296 PolarHBondContact O-N 3.41Å; E260-I296 HydrophobicContact CG-CD1 3.94Å; E260-I296 WeakPolarHBondContact OE1-CD1 3.43Å; E260-I296 VanDerWaalsContact OE2-CD1 3.24Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.29Å; T294-I296 HydrophobicContact CG2-CD1 4.47Å; T294-I296 HydrophobicContact CG2-CG1 3.83Å; I296-E303 HydrophobicContact CG2-CB 4.35Å; I296-R304 CarbonylContact C-O 3.59Å; I296-R304 WeakPolarHBondContact CA-O 3.34Å; I296-R305 VanDerWaalsContact CD1-NH1 3.31Å; I296-R305 HydrophobicContact CG1-CG 4.26Å
297V91.7Very high91.8Very high0 Ų050 Ų500%025%0.246CC..EExtended strand (participates in β ladder)trans-111.1128.5-179.9-176.50000109.3S248 P249 P255 N256 L257 E303 R304 F306S248-V297 WeakPolarHBondContact OG-CG1 3.36Å; P249-V297 HydrophobicContact CG-CB 4.16Å; P249-V297 HydrophobicContact CG-CG1 3.85Å; P255-V297 HydrophobicContact CB-CG1 3.49Å; P255-V297 VanDerWaalsContact CB-CG1 3.49Å; P255-V297 HydrophobicContact CG-CG1 3.73Å; N256-V297 CarbonylContact O-C 3.58Å; N256-V297 VanDerWaalsContact O-CA 3.27Å; N256-V297 WeakPolarHBondContact O-CA 3.31Å; L257-V297 HydrophobicContact CB-CG2 4.49Å; L257-V297 HydrophobicContact CD1-CG2 3.81Å; L257-V297 HydrophobicContact CG-CG2 4.1Å; V297-E303 CarbonylContact O-C 3.47Å; V297-E303 VanDerWaalsContact O-CA 3.28Å; V297-E303 WeakPolarHBondContact O-CA 3.22Å; V297-R304 PolarHBondContact N-O 2.89Å; V297-R304 PolarHBondContact O-N 3.45Å; V297-F306 HydrophobicContact CB-CE2 4.34Å; V297-F306 HydrophobicContact CG2-CD2 4.28Å; V297-F306 HydrophobicContact CG2-CE2 3.9Å
298W92.1Very high91.7Very high108 Ų10845.5 Ų45.541%0.40923%0.225SC..EExtended strand (participates in β ladder)trans-145.6151.6-172.770.3-79.7000113.9P255 N256 G302 E303P255-W298 CarbonylContact C-O 3.58Å; P255-W298 VanDerWaalsContact CA-O 3.29Å; P255-W298 WeakPolarHBondContact CA-O 3.27Å; P255-W298 WeakPolarHBondContact CB-O 3.33Å; N256-W298 HydrophobicContact CB-CD2 4.22Å; N256-W298 HydrophobicContact CB-CG 4.38Å; N256-W298 HydrophobicContact CB-CZ2 3.93Å; N256-W298 VanDerWaalsContact CB-NE1 3.33Å; N256-W298 PolarHBondContact N-O 2.88Å; N256-W298 WeakPolarHBondContact ND2-CZ2 3.37Å; N256-W298 PolarHBondContact O-N 2.95Å; W298-G302 CarbonylContact C-O 3.52Å; W298-G302 VanDerWaalsContact CA-O 3.25Å; W298-G302 WeakPolarHBondContact CA-O 3.49Å; W298-E303 HydrophobicContact CB-CB 3.8Å
299N91.8Very high91.8Very high11 Ų1140.9 Ų40.96%0.05920%0.203CC..EExtended strand (participates in β ladder)trans-146.3-167.8167.971.93.2000109.8Y222 P253 P255 V301 G302Y222-N299 PolarHBondContact O-ND2 2.89Å; P253-N299 PolarHBondContact O-ND2 3.18Å; P255-N299 HydrophobicContact CB-CB 4.28Å; N299-V301 PolarHBondContact O-N 2.95Å; N299-V301 VanDerWaalsContact O-N 3.08Å; N299-V301 VanDerWaalsContact OD1-CB 3.28Å; N299-V301 WeakPolarHBondContact OD1-CB 3.49Å; N299-V301 PolarHBondContact OD1-N 3.38Å; N299-G302 PolarHBondContact N-O 2.9Å; N299-G302 PolarHBondContact O-N 3.5Å; N299-G302 VanDerWaalsContact O-N 3.08Å
300V90Very high91.8Very high99 Ų9940.8 Ų40.860%0.620%0.203SC*.THydrogen-bonded Turntrans-60.6-17.7-179.4-59.20000114.5V221V221-V300 HydrophobicContact CB-CG2 3.81Å; V221-V300 HydrophobicContact CG1-CG2 3.93Å; V221-V300 HydrophobicContact CG2-CG2 3.86Å
301V89Confident91.9Very high61 Ų6140.4 Ų40.437%0.3720%0.198SC..THydrogen-bonded Turntrans-83.4-29.1178-177.40000111.4V221 L223 N299V221-V301 HydrophobicContact CB-CG2 3.85Å; V221-V301 HydrophobicContact CG2-CG2 3.66Å; L223-V301 HydrophobicContact CB-CB 4.36Å; N299-V301 PolarHBondContact O-N 2.95Å; N299-V301 VanDerWaalsContact O-N 3.08Å; N299-V301 VanDerWaalsContact OD1-CB 3.28Å; N299-V301 WeakPolarHBondContact OD1-CB 3.49Å; N299-V301 PolarHBondContact OD1-N 3.38Å
302G90.5Very high91.9Very high31 Ų3140.4 Ų40.432%0.3220%0.196SC..EExtended strand (participates in β ladder)trans150.4-159-179.100000112.5L223 W298 N299L223-G302 WeakPolarHBondContact CD2-O 3.27Å; W298-G302 CarbonylContact C-O 3.52Å; W298-G302 VanDerWaalsContact CA-O 3.25Å; W298-G302 WeakPolarHBondContact CA-O 3.49Å; N299-G302 PolarHBondContact N-O 2.9Å; N299-G302 PolarHBondContact O-N 3.5Å; N299-G302 VanDerWaalsContact O-N 3.08Å
303E90.9Very high91.9Very high84 Ų8442.1 Ų42.139%0.39320%0.204SC..EExtended strand (participates in β ladder)trans-123.1159.6-178.565.4174-139.600113.3I296 V297 W298 R305I296-E303 HydrophobicContact CG2-CB 4.35Å; V297-E303 CarbonylContact O-C 3.47Å; V297-E303 VanDerWaalsContact O-CA 3.28Å; V297-E303 WeakPolarHBondContact O-CA 3.22Å; W298-E303 HydrophobicContact CB-CB 3.8Å; E303-R305 IonicContact OE1-CZ 3.86Å; E303-R305 VanDerWaalsContact OE1-CZ 3.28Å; E303-R305 IonicContact OE1-NE 2.96Å; E303-R305 PolarHBondContact OE1-NE 2.83Å; E303-R305 IonicContact OE1-NH2 3.3Å; E303-R305 PolarHBondContact OE1-NH2 3.16Å; E303-R305 IonicContact OE2-NH2 2.82Å
304R89.5Confident91.5Very high74 Ų7447.9 Ų47.928%0.27923%0.231SC..EExtended strand (participates in β ladder)trans-135143.2173.1-62.6-66.5-179.4-91.4-2.7108.7L223 P249 I296 V297 F306L223-R304 HydrophobicContact CD2-CG 3.7Å; L223-R304 HydrophobicContact CG-CG 4.04Å; L223-R304 PolarHBondContact O-NH2 3.34Å; P249-R304 HydrophobicContact CG-CB 4.28Å; P249-R304 HydrophobicContact CG-CG 4.18Å; I296-R304 CarbonylContact C-O 3.59Å; I296-R304 WeakPolarHBondContact CA-O 3.34Å; V297-R304 PolarHBondContact N-O 2.89Å; V297-R304 PolarHBondContact O-N 3.45Å; R304-F306 HydrophobicContact CB-CE1 4.3Å; R304-F306 HydrophobicContact CB-CE2 4.14Å; R304-F306 HydrophobicContact CB-CZ 3.63Å
305R90.1Very high90.8Very high80 Ų8051 Ų5130%0.30225%0.251SS..EExtended strand (participates in β ladder)trans-123.4134.6-175.2-61.1-176.5172.2-107.6-5.5110E260 T294 C295 I296 E303 Y307E260-R305 IonicContact OE2-NH1 3.78Å; T294-R305 HydrophobicContact CG2-CB 3.92Å; T294-R305 HydrophobicContact CG2-CG 4.34Å; C295-R305 CarbonylContact O-C 3.56Å; C295-R305 WeakPolarHBondContact O-CA 3.41Å; I296-R305 VanDerWaalsContact CD1-NH1 3.31Å; I296-R305 HydrophobicContact CG1-CG 4.26Å; E303-R305 IonicContact OE1-CZ 3.86Å; E303-R305 VanDerWaalsContact OE1-CZ 3.28Å; E303-R305 IonicContact OE1-NE 2.96Å; E303-R305 PolarHBondContact OE1-NE 2.83Å; E303-R305 IonicContact OE1-NH2 3.3Å; E303-R305 PolarHBondContact OE1-NH2 3.16Å; E303-R305 IonicContact OE2-NH2 2.82Å; R305-Y307 HydrophobicContact CB-CE2 4.17Å
306F87.9Confident89.8Confident12 Ų1259.5 Ų59.55%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-126.2118.5177.5-51-54.9000110.5F227 P249 T294 C295 V297 R304F227-F306 HydrophobicContact CB-CE1 3.88Å; F227-F306 HydrophobicContact CB-CZ 3.94Å; F227-F306 AromaticContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD1 3.2Å; F227-F306 HydrophobicContact CD1-CD2 4.43Å; F227-F306 AromaticContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE1 2.75Å; F227-F306 HydrophobicContact CD1-CE2 4.06Å; F227-F306 HydrophobicContact CD1-CG 4.04Å; F227-F306 AromaticContact CD1-CZ 3.21Å; F227-F306 HydrophobicContact CD1-CZ 3.21Å; F227-F306 AromaticContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE1 3.94Å; F227-F306 HydrophobicContact CD2-CE2 4Å; F227-F306 AromaticContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CD2-CZ 3.43Å; F227-F306 VanDerWaalsContact CD2-CZ 3.43Å; F227-F306 HydrophobicContact CE1-CB 4.3Å; F227-F306 AromaticContact CE1-CD1 2.9Å; F227-F306 HydrophobicContact CE1-CD1 2.9Å; F227-F306 AromaticContact CE1-CD2 3.71Å; F227-F306 HydrophobicContact CE1-CD2 3.71Å; F227-F306 AromaticContact CE1-CE1 2.97Å; F227-F306 HydrophobicContact CE1-CE1 2.97Å; F227-F306 AromaticContact CE1-CE2 3.69Å; F227-F306 HydrophobicContact CE1-CE2 3.69Å; F227-F306 AromaticContact CE1-CG 3.32Å; F227-F306 HydrophobicContact CE1-CG 3.32Å; F227-F306 AromaticContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE1-CZ 3.31Å; F227-F306 HydrophobicContact CE2-CD2 4.16Å; F227-F306 HydrophobicContact CE2-CE1 4.05Å; F227-F306 AromaticContact CE2-CE2 3.56Å; F227-F306 HydrophobicContact CE2-CE2 3.56Å; F227-F306 AromaticContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CE2-CZ 3.47Å; F227-F306 VanDerWaalsContact CE2-CZ 3.47Å; F227-F306 HydrophobicContact CG-CD1 4.09Å; F227-F306 AromaticContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE1 3.22Å; F227-F306 HydrophobicContact CG-CE2 4.13Å; F227-F306 AromaticContact CG-CZ 3.19Å; F227-F306 HydrophobicContact CG-CZ 3.19Å; F227-F306 AromaticContact CZ-CD1 3.56Å; F227-F306 HydrophobicContact CZ-CD1 3.56Å; F227-F306 AromaticContact CZ-CD2 3.41Å; F227-F306 HydrophobicContact CZ-CD2 3.41Å; F227-F306 VanDerWaalsContact CZ-CD2 3.41Å; F227-F306 AromaticContact CZ-CE1 3.5Å; F227-F306 HydrophobicContact CZ-CE1 3.5Å; F227-F306 AromaticContact CZ-CE2 3.26Å; F227-F306 HydrophobicContact CZ-CE2 3.26Å; F227-F306 AromaticContact CZ-CG 3.53Å; F227-F306 HydrophobicContact CZ-CG 3.53Å; F227-F306 AromaticContact CZ-CZ 3.29Å; F227-F306 HydrophobicContact CZ-CZ 3.29Å; P249-F306 VanDerWaalsContact CD-CE2 3.48Å; P249-F306 HydrophobicContact CG-CE2 4.27Å; P249-F306 HydrophobicContact CG-CZ 4.15Å; T294-F306 CarbonylContact C-O 3.44Å; T294-F306 WeakPolarHBondContact CA-O 3.46Å; C295-F306 HydrophobicContact CB-CB 4.26Å; C295-F306 HydrophobicContact CB-CD2 4.44Å; C295-F306 PolarHBondContact N-O 3.45Å; C295-F306 PolarHBondContact O-N 3.05Å; V297-F306 HydrophobicContact CB-CE2 4.34Å; V297-F306 HydrophobicContact CG2-CD2 4.28Å; V297-F306 HydrophobicContact CG2-CE2 3.9Å; R304-F306 HydrophobicContact CB-CE1 4.3Å; R304-F306 HydrophobicContact CB-CE2 4.14Å; R304-F306 HydrophobicContact CB-CZ 3.63Å
307Y90.3Very high88.3Confident77 Ų7767.7 Ų67.730%0.30233%0.334SS..EExtended strand (participates in β ladder)trans-93.7126.3-172.8-54.4-83.1000110.1P231 Q232 E292 T294 R305P231-Y307 VanDerWaalsContact CA-O 3.32Å; P231-Y307 WeakPolarHBondContact CA-O 3.25Å; Q232-Y307 PolarHBondContact N-O 2.84Å; E292-Y307 HydrophobicContact CG-CD1 4.44Å; E292-Y307 WeakPolarHBondContact OE2-CD1 3.35Å; T294-Y307 HydrophobicContact CG2-CD1 4.07Å; T294-Y307 HydrophobicContact CG2-CE1 3.92Å; T294-Y307 WeakPolarHBondContact OG1-CD1 3.32Å; R305-Y307 HydrophobicContact CB-CE2 4.17Å
308N91.9Very high86.3Confident4 Ų470.8 Ų70.82%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-119.9125.5170.9-70.9-83.9000108.2Q232 L244 K245 Y293Q232-N308 CarbonylContact O-C 3.52Å; Q232-N308 VanDerWaalsContact O-CA 3.29Å; Q232-N308 WeakPolarHBondContact O-CA 3.43Å; L244-N308 HydrophobicContact CD2-CB 4.41Å; K245-N308 PolarHBondContact O-ND2 2.9Å; Y293-N308 PolarHBondContact N-O 3.21Å; Y293-N308 PolarHBondContact O-N 3.48Å
309H93.6Very high84.2Confident74 Ų7473.6 Ų73.634%0.34338%0.383SS..EExtended strand (participates in β ladder)trans-101.2111.3173.7-171.962.5000109.1Q232 V233 V234 G291Q232-H309 PolarHBondContact O-N 2.96Å; V233-H309 CarbonylContact C-O 3.57Å; V233-H309 WeakPolarHBondContact CA-O 3.43Å; V233-H309 HydrophobicContact CG2-CB 4.44Å; V234-H309 PolarHBondContact N-O 2.89Å; G291-H309 PolarHBondContact O-ND1 3.45Å
310L95.4Very high81.8Confident0 Ų080.5 Ų80.50%042%0.421CS..EExtended strand (participates in β ladder)trans-92.7127.1178.6178.961.5000109.6V234 T236 V242 L244 I282 D289 T290 G291 Y293 V312V234-L310 HydrophobicContact CB-CD1 4.26Å; V234-L310 HydrophobicContact CG1-CD1 4.18Å; V234-L310 WeakPolarHBondContact O-CA 3.45Å; T236-L310 HydrophobicContact CG2-CD1 3.8Å; V242-L310 HydrophobicContact CG1-CD1 4.02Å; V242-L310 HydrophobicContact CG1-CD2 4.1Å; V242-L310 HydrophobicContact CG2-CD1 4.05Å; L244-L310 HydrophobicContact CD2-CB 4.46Å; L244-L310 HydrophobicContact CD2-CD1 4.37Å; I282-L310 HydrophobicContact CD1-CD2 3.57Å; D289-L310 HydrophobicContact CB-CD2 4.35Å; T290-L310 WeakPolarHBondContact CA-O 3.22Å; T290-L310 WeakPolarHBondContact CG2-O 3.43Å; G291-L310 PolarHBondContact N-O 3.1Å; G291-L310 VanDerWaalsContact N-O 3.09Å; G291-L310 PolarHBondContact O-N 3.29Å; Y293-L310 HydrophobicContact CD2-CB 3.96Å; Y293-L310 HydrophobicContact CE2-CB 3.83Å; Y293-L310 HydrophobicContact CE2-CD2 3.83Å; Y293-L310 HydrophobicContact CE2-CG 4.47Å; L310-V312 HydrophobicContact CD1-CG2 4.5Å; L310-V312 HydrophobicContact CD2-CG2 4.14Å; L310-V312 HydrophobicContact CG-CG2 4.01Å
311I95.6Very high79.9Confident42 Ų4281.4 Ų81.422%0.21542%0.421CS..EExtended strand (participates in β ladder)trans-117113.7174.1-58.2174.4000108.1V233 V234 H235 T236 Q313V233-I311 HydrophobicContact CG1-CD1 3.78Å; V233-I311 HydrophobicContact CG1-CG1 4.42Å; V234-I311 PolarHBondContact O-N 3.45Å; H235-I311 WeakPolarHBondContact CA-O 3.44Å; T236-I311 PolarHBondContact N-O 3.28Å; I311-Q313 HydrophobicContact CG2-CG 3.98Å
312V95.9Very high77.9Confident10 Ų1088.1 Ų88.16%0.06144%0.439CS..EExtended strand (participates in β ladder)trans-100.1122.2175.7-170.50000108.9T236 V238 A285 T286 D289 T290 L310T236-V312 HydrophobicContact CG2-CB 4.16Å; T236-V312 HydrophobicContact CG2-CG1 4.08Å; T236-V312 HydrophobicContact CG2-CG2 3.68Å; T236-V312 CarbonylContact O-C 3.59Å; T236-V312 WeakPolarHBondContact O-CA 3.38Å; V238-V312 HydrophobicContact CB-CG1 4.49Å; V238-V312 HydrophobicContact CG2-CG1 3.75Å; A285-V312 HydrophobicContact CB-CG1 4.11Å; A285-V312 HydrophobicContact CB-CG2 4.14Å; T286-V312 WeakPolarHBondContact O-CB 3.13Å; T286-V312 WeakPolarHBondContact O-CG1 3.2Å; T286-V312 WeakPolarHBondContact O-CG2 3.1Å; D289-V312 HydrophobicContact CB-CG2 4.34Å; T290-V312 PolarHBondContact OG1-N 3.32Å; T290-V312 VanDerWaalsContact OG1-N 3.12Å; L310-V312 HydrophobicContact CD1-CG2 4.5Å; L310-V312 HydrophobicContact CD2-CG2 4.14Å; L310-V312 HydrophobicContact CG-CG2 4.01Å
313Q92.4Very high76.2Confident107 Ų10790.7 Ų90.750%0.545%0.45SS..EExtended strand (participates in β ladder)trans-116.1139.5-179.3-64.4178.8-22.900110.4T236 S237 V238 I311T236-Q313 PolarHBondContact O-N 2.77Å; S237-Q313 CarbonylContact C-O 3.53Å; S237-Q313 WeakPolarHBondContact CA-O 3.48Å; V238-Q313 PolarHBondContact N-O 2.85Å; I311-Q313 HydrophobicContact CG2-CG 3.98Å
314Q86.5Confident74.3Confident123 Ų12391.7 Ų91.758%0.57546%0.464SS*.  trans-62.8141.2166.6-78.3175.932.600109.7V238 E287 L316V238-Q314 HydrophobicContact CB-CG 4.47Å; V238-Q314 HydrophobicContact CG2-CG 3.78Å; E287-Q314 VanDerWaalsContact OE1-CD 3.28Å; E287-Q314 VanDerWaalsContact OE1-CG 3.23Å; E287-Q314 WeakPolarHBondContact OE1-CG 3.46Å; E287-Q314 PolarHBondContact OE1-NE2 2.68Å; Q314-L316 PolarHBondContact O-N 2.95Å
315P78.2Confident72.1Confident74 Ų7495.6 Ų95.648%0.48149%0.488SS..  trans-53.4134.8164.1-15.627.9000107.9E317P315-E317 PolarHBondContact O-N 3.12Å
316L70.1Confident70Confident179 Ų17996.8 Ų96.894%0.93751%0.508SS*.  trans-67.582.8169.3-70.2168.8000107.5Q314 G318Q314-L316 PolarHBondContact O-N 2.95Å; L316-G318 PolarHBondContact O-N 3.19Å; L316-G318 VanDerWaalsContact O-N 3.08Å
317E61.6Low67.9Low172 Ų172101.6 Ų101.680%0.80454%0.543SS*.  trans-58.2112.6164-158.489-145.200104.8P315 Q319P315-E317 PolarHBondContact O-N 3.12Å; E317-Q319 PolarHBondContact O-N 3.34Å
318G49.6Very low65.8Low64 Ų64103.3 Ų103.366%0.6656%0.557SS**  trans-46.2114-171.800000109.5L316 N320L316-G318 PolarHBondContact O-N 3.19Å; L316-G318 VanDerWaalsContact O-N 3.08Å; G318-N320 PolarHBondContact O-N 3.36Å
319Q47.8Very low63.3Low167 Ų167106.4 Ų106.478%0.7859%0.59SS**  trans-57102164.9-73.5-175.4-10.600104.7E317 I321E317-Q319 PolarHBondContact O-N 3.34Å; Q319-I321 HydrophobicContact CB-CD1 4.42Å; Q319-I321 HydrophobicContact CB-CG1 3.63Å; Q319-I321 PolarHBondContact O-N 3.45Å
320N40.7Very low61Low157 Ų157113.1 Ų113.184%0.8462%0.618SS**  trans-59.775.9145.5-83.8-51.1000105G318 R322G318-N320 PolarHBondContact O-N 3.36Å; N320-R322 PolarHBondContact O-N 2.91Å
321I51.3Low58.6Low117 Ų117117.4 Ų117.460%0.665%0.653SS**  trans-62.785.5154.1-51.2178.4000102.3Q319 P323Q319-I321 HydrophobicContact CB-CD1 4.42Å; Q319-I321 HydrophobicContact CB-CG1 3.63Å; Q319-I321 PolarHBondContact O-N 3.45Å; I321-P323 VanDerWaalsContact C-N 3.34Å; I321-P323 WeakPolarHBondContact O-CD 3.41Å; I321-P323 VanDerWaalsContact O-N 3.11Å
322R47.1Very low56.2Low202 Ų202122.2 Ų122.276%0.76268%0.675SS**  trans-58.2113.4148.7-79.9-170.6-126.8-1260.8102.9N320N320-R322 PolarHBondContact O-N 2.91Å
323P53Low53.6Low85 Ų85131.4 Ų131.455%0.55271%0.714SS**  trans-52.4149171.523.5-32.6000107.6I321 M325I321-P323 VanDerWaalsContact C-N 3.34Å; I321-P323 WeakPolarHBondContact O-CD 3.41Å; I321-P323 VanDerWaalsContact O-N 3.11Å; P323-M325 VanDerWaalsContact C-N 3.29Å; P323-M325 PolarHBondContact O-N 2.85Å
324P51.5Low51.6Low105 Ų105135.6 Ų135.668%0.68273%0.734SS**  trans-58.298.1176.123.6-30.4000108.1S326P324-S326 PolarHBondContact O-N 3.12Å
325M43Very low49.9Very low157 Ų157133.2 Ų133.277%0.77374%0.735SS**  trans-75.467175.2-89-167.1-84.800108P323P323-M325 VanDerWaalsContact C-N 3.29Å; P323-M325 PolarHBondContact O-N 2.85Å
326S45.6Very low48.6Very low105 Ų105136 Ų13673%0.73475%0.746SS**SBendtrans-157.648.117365.30000111P324P324-S326 PolarHBondContact O-N 3.12Å
327S45.5Very low47.9Very low113 Ų113134.1 Ų134.179%0.7974%0.737SS**SBendtrans-175.5-15157.758.70000112.9G329S327-G329 PolarHBondContact O-N 3.08Å
328L45.6Very low47.5Very low113 Ų113129.5 Ų129.559%0.59272%0.723SS**  trans-82.444.2174.6-137.781.3000112.6Q332L328-Q332 HydrophobicContact CD2-CB 3.78Å; L328-Q332 HydrophobicContact CD2-CG 3.87Å; L328-Q332 HydrophobicContact CG-CB 4.29Å
329G39.8Very low47.7Very low69 Ų69131.3 Ų131.371%0.71172%0.722SS**SBendtrans-87.9-6.2-170.300000116.1S327S327-G329 PolarHBondContact O-N 3.08Å
330K44.3Very low47.9Very low215 Ų215127.3 Ų127.394%0.93571%0.711SS**SBendtrans-147.28.9-173.1-73.7-170.8179.5174.60117.3
331A45.8Very low48.8Very low89 Ų89124.5 Ų124.574%0.73670%0.699SS**SBendtrans-131.41.7-173.300000116.8
332Q44.8Very low49.3Very low143 Ų143123.6 Ų123.667%0.66870%0.699SS**SBendtrans-122.730.4-169.9-154.795.8-12.700113.5L328L328-Q332 HydrophobicContact CD2-CB 3.78Å; L328-Q332 HydrophobicContact CD2-CG 3.87Å; L328-Q332 HydrophobicContact CG-CB 4.29Å
333K42.5Very low50.1Low204 Ų204115.6 Ų115.689%0.88768%0.68SS**SBendtrans-11816.4-178.2-143.7-179.4-177.7-177.70114.3
334E49.6Very low51Low195 Ų195116.5 Ų116.591%0.91168%0.679SS**SBendtrans-130.55.1-175-121.8170.2-174.400114.5
335A50.1Low52.1Low73 Ų73113.7 Ų113.760%0.60366%0.664SS**SBendtrans-117.1-15.3-174.700000115.7
336D52.1Low53.7Low133 Ų133109.9 Ų109.971%0.71165%0.653SS**Hα-helixtrans-93.3-23.2-170.6-133.60.6000113.9S338D336-S338 VanDerWaalsContact C-N 3.32Å; D336-S338 PolarHBondContact O-N 3.44Å
337D53.9Low55.3Low139 Ų139113.5 Ų113.574%0.74365%0.652SS**Hα-helixtrans-77.5-18.9175.3-71.2-22.7000112.5V341D337-V341 WeakPolarHBondContact O-CB 3.12Å; D337-V341 WeakPolarHBondContact O-CG2 3.06Å; D337-V341 PolarHBondContact O-N 3.08Å
338S53Low57.2Low74 Ų74113.4 Ų113.452%0.51764%0.642SS.*Hα-helixtrans-74.6-39.7179.9170.80000112.5D336 V341 V342D336-S338 VanDerWaalsContact C-N 3.32Å; D336-S338 PolarHBondContact O-N 3.44Å; S338-V341 PolarHBondContact O-N 2.95Å; S338-V342 VanDerWaalsContact O-CG2 3.27Å; S338-V342 WeakPolarHBondContact O-CG2 3.39Å; S338-V342 PolarHBondContact O-N 3.24Å; S338-V342 VanDerWaalsContact O-N 3.11Å
339V55.2Low59.1Low103 Ų103113.8 Ų113.862%0.62464%0.644SS**Hα-helixtrans-74.4-37.3-172.8-176.50000111.7G343V339-G343 PolarHBondContact O-N 3.1Å; V339-G343 VanDerWaalsContact O-N 3.14Å
340C52.1Low61.2Low83 Ų83113.7 Ų113.756%0.56163%0.632SS**Hα-helixtrans-71.1-35.9174.7-77.60000112.7G343 I344C340-G343 PolarHBondContact O-N 2.82Å; C340-I344 VanDerWaalsContact O-CG1 3.26Å; C340-I344 WeakPolarHBondContact O-CG1 3.39Å; C340-I344 PolarHBondContact O-N 3.49Å
341V58Low63.3Low98 Ų98105.7 Ų105.759%0.59461%0.606SS**Hα-helixtrans-68.1-37.7177.6174.30000111D337 S338 A345D337-V341 WeakPolarHBondContact O-CB 3.12Å; D337-V341 WeakPolarHBondContact O-CG2 3.06Å; D337-V341 PolarHBondContact O-N 3.08Å; S338-V341 PolarHBondContact O-N 2.95Å; V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.37Å; V341-A345 PolarHBondContact O-N 3.18Å
342V63.7Low65.4Low98 Ų98105.2 Ų105.259%0.59459%0.594SS**Hα-helixtrans-67.3-40.2174.9175.90000111.6S338 S346S338-V342 VanDerWaalsContact O-CG2 3.27Å; S338-V342 WeakPolarHBondContact O-CG2 3.39Å; S338-V342 PolarHBondContact O-N 3.24Å; S338-V342 VanDerWaalsContact O-N 3.11Å; V342-S346 WeakPolarHBondContact O-CB 3.11Å; V342-S346 PolarHBondContact O-N 3.26Å
343G63Low67.4Low34 Ų34102.2 Ų102.235%0.35159%0.585SS.*Hα-helixtrans-63.6-47.1175.800000113V339 C340 S346 Y347V339-G343 PolarHBondContact O-N 3.1Å; V339-G343 VanDerWaalsContact O-N 3.14Å; C340-G343 PolarHBondContact O-N 2.82Å; G343-S346 PolarHBondContact O-N 2.82Å; G343-Y347 WeakPolarHBondContact O-CD2 3.34Å; G343-Y347 PolarHBondContact O-N 2.8Å; G343-Y347 VanDerWaalsContact O-N 3.09Å
344I72Confident69.6Low104 Ų10497.6 Ų97.653%0.53357%0.57SS.*Hα-helixtrans-66.4-41.1179-65165.5000110.8C340 S346 Y347 L348C340-I344 VanDerWaalsContact O-CG1 3.26Å; C340-I344 WeakPolarHBondContact O-CG1 3.39Å; C340-I344 PolarHBondContact O-N 3.49Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 2.85Å; I344-Y347 PolarHBondContact O-N 3.05Å; I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.21Å; I344-L348 WeakPolarHBondContact O-CB 3.48Å; I344-L348 VanDerWaalsContact O-CG 3.28Å; I344-L348 WeakPolarHBondContact O-CG 3.45Å; I344-L348 PolarHBondContact O-N 2.61Å
345A74.3Confident71.4Confident45 Ų4593.5 Ų93.537%0.37255%0.553SS.*Hα-helixtrans-62.2-38.4176.200000112.3V341 L348 L349V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.37Å; V341-A345 PolarHBondContact O-N 3.18Å; A345-L348 PolarHBondContact O-N 2.77Å; A345-L349 WeakPolarHBondContact O-CB 3.05Å; A345-L349 PolarHBondContact O-N 2.88Å
346S77.7Confident73.1Confident77 Ų7795.4 Ų95.454%0.53855%0.553SS.*Hα-helixtrans-66.5-43.6176.4-174.50000112.5V342 G343 I344 L349 S350V342-S346 WeakPolarHBondContact O-CB 3.11Å; V342-S346 PolarHBondContact O-N 3.26Å; G343-S346 PolarHBondContact O-N 2.82Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 2.85Å; S346-L349 PolarHBondContact O-N 3.02Å; S346-S350 PolarHBondContact O-N 3.3Å; S346-S350 PolarHBondContact O-OG 2.88Å
347Y79.2Confident74.6Confident182 Ų18294 Ų9471%0.71455%0.545SS*.Hα-helixtrans-65.7-40.4175-88.8-78.9000112.3G343 I344 S350 A351G343-Y347 WeakPolarHBondContact O-CD2 3.34Å; G343-Y347 PolarHBondContact O-N 2.8Å; G343-Y347 VanDerWaalsContact O-N 3.09Å; I344-Y347 PolarHBondContact O-N 3.05Å; Y347-S350 WeakPolarHBondContact CA-OG 2.94Å; Y347-S350 PolarHBondContact O-N 2.78Å; Y347-S350 PolarHBondContact O-OG 3.43Å; Y347-A351 WeakPolarHBondContact O-CB 3.31Å; Y347-A351 PolarHBondContact O-N 2.84Å
348L84.5Confident75.9Confident111 Ų11192 Ų9258%0.58153%0.533SS*.Hα-helixtrans-66.6-41.6175.7-69.7174.5000111.9I344 A345 A351 V352I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.21Å; I344-L348 WeakPolarHBondContact O-CB 3.48Å; I344-L348 VanDerWaalsContact O-CG 3.28Å; I344-L348 WeakPolarHBondContact O-CG 3.45Å; I344-L348 PolarHBondContact O-N 2.61Å; A345-L348 PolarHBondContact O-N 2.77Å; L348-A351 PolarHBondContact O-N 2.92Å; L348-V352 WeakPolarHBondContact O-CB 3.32Å; L348-V352 VanDerWaalsContact O-CG2 3.24Å; L348-V352 WeakPolarHBondContact O-CG2 3.46Å; L348-V352 PolarHBondContact O-N 3.18Å
349L84.7Confident77Confident121 Ų12193.3 Ų93.363%0.63453%0.532SS*.Hα-helixtrans-61.6-46.3175-111.288.7000111.6A345 S346 A351 V352 V353A345-L349 WeakPolarHBondContact O-CB 3.05Å; A345-L349 PolarHBondContact O-N 2.88Å; S346-L349 PolarHBondContact O-N 3.02Å; L349-A351 PolarHBondContact O-N 3.14Å; L349-V352 PolarHBondContact O-N 2.84Å; L349-V353 WeakPolarHBondContact O-CB 3.35Å; L349-V353 VanDerWaalsContact O-CG2 3.26Å; L349-V353 WeakPolarHBondContact O-CG2 3.35Å; L349-V353 PolarHBondContact O-N 2.87Å
350S85.2Confident78Confident66 Ų6693 Ų9346%0.46253%0.527SS..Hα-helixtrans-64.3-38.1179.156.60000112.6S346 Y347 L354S346-S350 PolarHBondContact O-N 3.3Å; S346-S350 PolarHBondContact O-OG 2.88Å; Y347-S350 WeakPolarHBondContact CA-OG 2.94Å; Y347-S350 PolarHBondContact O-N 2.78Å; Y347-S350 PolarHBondContact O-OG 3.43Å; S350-L354 WeakPolarHBondContact O-CB 3.21Å; S350-L354 PolarHBondContact O-N 2.89Å
351A88.4Confident78.8Confident47 Ų4793.6 Ų93.639%0.38853%0.528SS..Hα-helixtrans-66.6-40.717400000112.6Y347 L348 L349 L354 L355Y347-A351 WeakPolarHBondContact O-CB 3.31Å; Y347-A351 PolarHBondContact O-N 2.84Å; L348-A351 PolarHBondContact O-N 2.92Å; L349-A351 PolarHBondContact O-N 3.14Å; A351-L354 PolarHBondContact O-N 2.86Å; A351-L355 WeakPolarHBondContact O-CB 3.46Å; A351-L355 PolarHBondContact O-N 3.46Å
352V90.1Very high79.2Confident80 Ų8090.7 Ų90.749%0.48551%0.514SS..Hα-helixtrans-66.3-43.1176.3171.70000111L348 L349 L354 L355 L356L348-V352 WeakPolarHBondContact O-CB 3.32Å; L348-V352 VanDerWaalsContact O-CG2 3.24Å; L348-V352 WeakPolarHBondContact O-CG2 3.46Å; L348-V352 PolarHBondContact O-N 3.18Å; L349-V352 PolarHBondContact O-N 2.84Å; V352-L354 VanDerWaalsContact C-N 3.33Å; V352-L354 PolarHBondContact O-N 2.99Å; V352-L355 PolarHBondContact O-N 2.99Å; V352-L356 HydrophobicContact CG1-CD1 4Å; V352-L356 HydrophobicContact CG1-CG 4.37Å; V352-L356 WeakPolarHBondContact O-CB 3.37Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.1Å
353V87.1Confident79.2Confident80 Ų8094.3 Ų94.349%0.48552%0.517SS..Hα-helixtrans-60.9-43.1175171.70000110.6L349 L356 L357L349-V353 WeakPolarHBondContact O-CB 3.35Å; L349-V353 VanDerWaalsContact O-CG2 3.26Å; L349-V353 WeakPolarHBondContact O-CG2 3.35Å; L349-V353 PolarHBondContact O-N 2.87Å; V353-L356 PolarHBondContact O-N 3.09Å; V353-L357 HydrophobicContact CG1-CD1 4.03Å; V353-L357 HydrophobicContact CG1-CG 4.47Å; V353-L357 WeakPolarHBondContact O-CB 3.02Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.45Å; V353-L357 PolarHBondContact O-N 2.93Å
354L88.4Confident79.1Confident107 Ų10797.9 Ų97.956%0.5653%0.528SS*.Hα-helixtrans-64-42176.8-173.463.5000112.3S350 A351 V352 L357 I358S350-L354 WeakPolarHBondContact O-CB 3.21Å; S350-L354 PolarHBondContact O-N 2.89Å; A351-L354 PolarHBondContact O-N 2.86Å; V352-L354 VanDerWaalsContact C-N 3.33Å; V352-L354 PolarHBondContact O-N 2.99Å; L354-L357 PolarHBondContact O-N 2.8Å; L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 WeakPolarHBondContact O-CD1 3.48Å; L354-I358 VanDerWaalsContact O-CG1 3.25Å; L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 2.71Å
355L86.8Confident78.5Confident108 Ų10896 Ų9657%0.56552%0.521SS*.Hα-helixtrans-64-42.4175.7-87.6159.8000112.4A351 V352 I358 M359A351-L355 WeakPolarHBondContact O-CB 3.46Å; A351-L355 PolarHBondContact O-N 3.46Å; V352-L355 PolarHBondContact O-N 2.99Å; L355-I358 PolarHBondContact O-N 3.18Å; L355-M359 WeakPolarHBondContact O-CB 3.45Å; L355-M359 VanDerWaalsContact O-CG 3.31Å; L355-M359 WeakPolarHBondContact O-CG 3.37Å; L355-M359 PolarHBondContact O-N 3.36Å
356L85.1Confident77.7Confident113 Ų113101.9 Ų101.959%0.59253%0.534SS*.Hα-helixtrans-64.5-41.3176.3-71.2173.4000111.4V352 V353 I358 M359 D360V352-L356 HydrophobicContact CG1-CD1 4Å; V352-L356 HydrophobicContact CG1-CG 4.37Å; V352-L356 WeakPolarHBondContact O-CB 3.37Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.1Å; V353-L356 PolarHBondContact O-N 3.09Å; L356-I358 VanDerWaalsContact C-N 3.35Å; L356-I358 PolarHBondContact O-N 2.94Å; L356-M359 PolarHBondContact O-N 2.72Å; L356-D360 WeakPolarHBondContact O-CB 3.29Å; L356-D360 PolarHBondContact O-N 3.47Å
357L83.3Confident76.6Confident104 Ų104101.8 Ų101.855%0.54553%0.531SS..Hα-helixtrans-62.1-40.8174.2-71.5170.5000112V353 L354 D360 V361V353-L357 HydrophobicContact CG1-CD1 4.03Å; V353-L357 HydrophobicContact CG1-CG 4.47Å; V353-L357 WeakPolarHBondContact O-CB 3.02Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.45Å; V353-L357 PolarHBondContact O-N 2.93Å; L354-L357 PolarHBondContact O-N 2.8Å; L357-D360 PolarHBondContact O-N 3.08Å; L357-V361 VanDerWaalsContact O-CG2 3.25Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.67Å
358I82.9Confident75.4Confident98 Ų9897.4 Ų97.450%0.50352%0.524SS..Hα-helixtrans-64.9-41.5175.6-67.6163.5000110.8L354 L355 L356 A362L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 WeakPolarHBondContact O-CD1 3.48Å; L354-I358 VanDerWaalsContact O-CG1 3.25Å; L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 2.71Å; L355-I358 PolarHBondContact O-N 3.18Å; L356-I358 VanDerWaalsContact C-N 3.35Å; L356-I358 PolarHBondContact O-N 2.94Å; I358-A362 VanDerWaalsContact O-CB 3.25Å; I358-A362 WeakPolarHBondContact O-CB 3.35Å; I358-A362 PolarHBondContact O-N 2.76Å
359M75.2Confident73.9Confident101 Ų10197.7 Ų97.750%0.49853%0.525SS..Hα-helixtrans-67.7-38.4178.5-72.9-62-64.300112.4L355 L356 A362 W363L355-M359 WeakPolarHBondContact O-CB 3.45Å; L355-M359 VanDerWaalsContact O-CG 3.31Å; L355-M359 WeakPolarHBondContact O-CG 3.37Å; L355-M359 PolarHBondContact O-N 3.36Å; L356-M359 PolarHBondContact O-N 2.72Å; M359-A362 PolarHBondContact O-N 3.1Å; M359-W363 WeakPolarHBondContact O-CB 3.45Å; M359-W363 PolarHBondContact O-N 2.94Å
360D75.6Confident72.3Confident95 Ų9595.2 Ų95.251%0.50852%0.522SS..Hα-helixtrans-68.9-39.3178.2-1501.9000111.2L356 L357 W363 N364L356-D360 WeakPolarHBondContact O-CB 3.29Å; L356-D360 PolarHBondContact O-N 3.47Å; L357-D360 PolarHBondContact O-N 3.08Å; D360-W363 PolarHBondContact O-N 3.19Å; D360-N364 VanDerWaalsContact O-CB 3.31Å; D360-N364 WeakPolarHBondContact O-CB 3.43Å; D360-N364 PolarHBondContact O-N 2.87Å; D360-N364 PolarHBondContact O-ND2 2.88Å
361V69Low70.7Confident96 Ų96102.8 Ų102.858%0.58254%0.54SS*.Hα-helixtrans-64.2-43.5169.7174.90000110.7L357 W363 N364 V365L357-V361 VanDerWaalsContact O-CG2 3.25Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.67Å; V361-W363 VanDerWaalsContact C-N 3.33Å; V361-W363 PolarHBondContact O-N 3.23Å; V361-N364 PolarHBondContact O-N 2.59Å; V361-V365 HydrophobicContact CG1-CG2 4.2Å; V361-V365 WeakPolarHBondContact O-CB 3.06Å; V361-V365 WeakPolarHBondContact O-CG2 3.14Å; V361-V365 PolarHBondContact O-N 3.49Å
362A66.4Low68.8Low37 Ų37107.2 Ų107.231%0.30656%0.557SS.*Hα-helixtrans-65.8-33.517900000112.7I358 M359 R366I358-A362 VanDerWaalsContact O-CB 3.25Å; I358-A362 WeakPolarHBondContact O-CB 3.35Å; I358-A362 PolarHBondContact O-N 2.76Å; M359-A362 PolarHBondContact O-N 3.1Å; A362-R366 WeakPolarHBondContact O-CD 3.42Å; A362-R366 VanDerWaalsContact O-CG 3.23Å; A362-R366 WeakPolarHBondContact O-CG 3.47Å; A362-R366 PolarHBondContact O-N 3.45Å
363W64.2Low66.6Low175 Ų175106.4 Ų106.466%0.66357%0.565SS**Hα-helixtrans-80.3-37.1176.5-111.1-27.7000113.1M359 D360 V361 V365 R366 P367M359-W363 WeakPolarHBondContact O-CB 3.45Å; M359-W363 PolarHBondContact O-N 2.94Å; D360-W363 PolarHBondContact O-N 3.19Å; V361-W363 VanDerWaalsContact C-N 3.33Å; V361-W363 PolarHBondContact O-N 3.23Å; W363-V365 VanDerWaalsContact C-N 3.28Å; W363-V365 PolarHBondContact O-N 2.86Å; W363-R366 PolarHBondContact O-N 3.22Å; W363-P367 WeakPolarHBondContact O-CD 3.32Å
364N61.9Low64.5Low108 Ų108109.8 Ų109.858%0.57858%0.578SS**Hα-helixtrans-71.4-22175.6-83.7-33.8000113.3D360 V361D360-N364 VanDerWaalsContact O-CB 3.31Å; D360-N364 WeakPolarHBondContact O-CB 3.43Å; D360-N364 PolarHBondContact O-N 2.87Å; D360-N364 PolarHBondContact O-ND2 2.88Å; V361-N364 PolarHBondContact O-N 2.59Å
365V58.8Low62.2Low65 Ų65115.5 Ų115.539%0.39459%0.592SS.*Hα-helixtrans-86.7-23.4176.8177.90000112.4V361 W363 V368 L369V361-V365 HydrophobicContact CG1-CG2 4.2Å; V361-V365 WeakPolarHBondContact O-CB 3.06Å; V361-V365 WeakPolarHBondContact O-CG2 3.14Å; V361-V365 PolarHBondContact O-N 3.49Å; W363-V365 VanDerWaalsContact C-N 3.28Å; W363-V365 PolarHBondContact O-N 2.86Å; V365-V368 PolarHBondContact O-N 2.59Å; V365-L369 HydrophobicContact CG1-CD1 3.43Å; V365-L369 VanDerWaalsContact CG1-CD1 3.43Å; V365-L369 HydrophobicContact CG1-CG 3.8Å; V365-L369 PolarHBondContact O-N 2.72Å
366R57.1Low59.8Low169 Ų169118.4 Ų118.464%0.63861%0.607SS**Hα-helixtrans-62.2-41.5179.4-84.9171.5-175.4-164.72.6115.3A362 W363 V368 A370A362-R366 WeakPolarHBondContact O-CD 3.42Å; A362-R366 VanDerWaalsContact O-CG 3.23Å; A362-R366 WeakPolarHBondContact O-CG 3.47Å; A362-R366 PolarHBondContact O-N 3.45Å; W363-R366 PolarHBondContact O-N 3.22Å; R366-V368 VanDerWaalsContact C-N 3.33Å; R366-A370 VanDerWaalsContact O-CB 3.26Å; R366-A370 WeakPolarHBondContact O-CB 3.17Å; R366-A370 PolarHBondContact O-N 2.86Å
367P54.2Low57.4Low74 Ų74119.3 Ų119.348%0.48162%0.622SS.*Hα-helixtrans-78.5-16.1176.528.3-31.7000113.4W363W363-P367 WeakPolarHBondContact O-CD 3.32Å
368V55Low55.2Low91 Ų91122.5 Ų122.555%0.55263%0.634SS**Hα-helixtrans-86.3-38.4177.8-177.20000111.3V365 R366V365-V368 PolarHBondContact O-N 2.59Å; R366-V368 VanDerWaalsContact C-N 3.33Å
369L52.1Low52.9Low117 Ų117122.9 Ų122.961%0.61364%0.641SS**Hα-helixtrans-76.3-27.5174.4-71.5175.3000113.3V365 R371 L372V365-L369 HydrophobicContact CG1-CD1 3.43Å; V365-L369 VanDerWaalsContact CG1-CD1 3.43Å; V365-L369 HydrophobicContact CG1-CG 3.8Å; V365-L369 PolarHBondContact O-N 2.72Å; L369-R371 VanDerWaalsContact C-N 3.29Å; L369-R371 PolarHBondContact O-N 3.32Å; L369-L372 PolarHBondContact O-N 3.35Å
370A52.6Low51.1Low68 Ų68128.5 Ų128.556%0.56266%0.663SS**THydrogen-bonded Turntrans-70.2-18.9178.400000114.3R366R366-A370 VanDerWaalsContact O-CB 3.26Å; R366-A370 WeakPolarHBondContact O-CB 3.17Å; R366-A370 PolarHBondContact O-N 2.86Å
371R51.5Low49Very low226 Ų226133.2 Ų133.285%0.85368%0.675SS**THydrogen-bonded Turntrans-96-9.4177.8-68-173.3-168.9-171.64.1114.5L369L369-R371 VanDerWaalsContact C-N 3.29Å; L369-R371 PolarHBondContact O-N 3.32Å
372L47.4Very low47.2Very low140 Ų140138.9 Ų138.973%0.73369%0.686SS**THydrogen-bonded Turntrans-106.8-9-177.7-87.9141.7000114L369L369-L372 PolarHBondContact O-N 3.35Å
373G43Very low45.5Very low63 Ų63143.1 Ų143.165%0.64971%0.712SS**SBendtrans-94.2-0.6-169.400000118.7
374I44.3Very low44.2Very low150 Ų150141.1 Ų141.177%0.76972%0.721SS**SBendtrans-91.8-5.5-168.9-68.5174.4000114.9
375R39.2Very low42.7Very low227 Ų227147.1 Ų147.186%0.85774%0.736SS**SBendtrans-143.324.7-170.5-81.9-167.1-174.8178.22119.2
376L37.6Very low41.4Very low169 Ų169155.7 Ų155.789%0.88576%0.761SS**  trans-142.369.4173.9-72.8166000111.8
377C34.1Very low40.3Very low132 Ų132151 Ų15189%0.89277%0.765SS**  trans-117.271.6164.5-94.70000109.1
378H36.7Very low39.1Very low171 Ų171152.4 Ų152.479%0.79278%0.777SS**  trans-151.2144.2160.9-125.2-100.5000108.5
379T35.8Very low38.3Very low107 Ų107158.4 Ų158.466%0.65679%0.791SS**  trans70.787.2156.355.40000119.4
380F36.1Very low37.4Very low219 Ų219159.3 Ų159.396%0.96180%0.796SS**  trans-146.788.8133.2-97.2-73.5000111.1
381Y32.3Very low36.6Very low193 Ų193164.4 Ų164.476%0.75781%0.808SS**  trans-78.2140.1157.5-102.7-98.6000109.6
382R30.2Very low35.5Very low216 Ų216163.8 Ų163.882%0.81581%0.806SS**  trans65.2115.5141.5-75.7175.6179.7165.9-1122.9
383C30.9Very low34.8Very low125 Ų125165.3 Ų165.385%0.84581%0.814SS**  36.1142.6127.8-88.30000121.6
384P37Very low34.3Very low133 Ų133167.8 Ų167.886%0.86482%0.816SS**  -147.9170.6105.834.6-15.3000117.6
385R31.8Very low33.7Very low235 Ų235166 Ų16689%0.88782%0.815SS**  trans-67.4164.3-173.1-62171.1171.1175.3-4116.3
386R30.9Very low33.7Very low244 Ų244160.6 Ų160.692%0.92181%0.81SS**  122.3129.5121.1-131.6177.6-164.1174.91.7116.7
387G33.5Very low33.7Very low70 Ų70157.5 Ų157.572%0.72280%0.8SS**  trans11289.6160.100000114
388S30Very low33.8Very low104 Ų104157 Ų15773%0.72780%0.795SS**  56.3104.185.5-176.60000113.3
389Y37.6Very low33.6Very low217 Ų217159.4 Ų159.485%0.85180%0.799SS**  trans-168.1118.4130.5-94.7-70.1000110.1
390D31.9Very low33.1Very low136 Ų136162 Ų16273%0.72781%0.809SS**  trans-56.7132.5166.4-100.4-47.8000111.5
391H36.5Very low32.8Very low175 Ų175158 Ų15881%0.8180%0.797SS**  trans-135.989.6152-85.4-72.1000110.1L393H391-L393 PolarHBondContact O-N 3.05Å
392R29.4Very low32.5Very low214 Ų214154.1 Ų154.181%0.80880%0.798SS**  trans-59109.1158.8-71.3177.8175.8-174.1-2.7109V394R392-V394 HydrophobicContact CB-CG2 4.17Å; R392-V394 PolarHBondContact O-N 3.15Å
393L31.5Very low32.5Very low172 Ų172150.7 Ų150.790%0.90179%0.794SS**  trans-83.992.2159.4-86.6152.3000107.5H391 C395H391-L393 PolarHBondContact O-N 3.05Å; L393-C395 PolarHBondContact O-N 2.84Å
394V33Very low32.4Very low115 Ų115152.1 Ų152.170%0.69779%0.793SS**  trans-72.7113172.3175.30000107.7R392R392-V394 HydrophobicContact CB-CG2 4.17Å; R392-V394 PolarHBondContact O-N 3.15Å
395C31.1Very low32Very low111 Ų111153.7 Ų153.775%0.7579%0.789SS**PPolyproline II helixtrans-62.1132.5160.3-63.90000108.5L393L393-C395 PolarHBondContact O-N 2.84Å
396P39.6Very low31.8Very low114 Ų114147.1 Ų147.174%0.7478%0.779SS**PPolyproline II helixtrans-65.3138.8171.728.8-33.2000109.1
397P37.6Very low31.6Very low105 Ų105140.6 Ų140.668%0.68277%0.771SS**PPolyproline II helixtrans-68.1154.6176.129.9-33000110.2
398P36.1Very low31.3Very low122 Ų122147.5 Ų147.579%0.79278%0.781SS**PPolyproline II helixtrans-66.9137.3171.530.1-31.1000108.7D400P398-D400 PolarHBondContact O-N 3.08Å; P398-D400 VanDerWaalsContact O-N 3.1Å
399Y32.4Very low31Very low220 Ų220149.4 Ų149.486%0.86378%0.782SS**  trans-63.1110.3171.5-83.7-93.5000109.5
400D26.4Very low30.5Very low161 Ų161143.4 Ų143.486%0.86178%0.777SS**  trans-71.7117.6157.5-108.8-31000108.4P398P398-D400 PolarHBondContact O-N 3.08Å; P398-D400 VanDerWaalsContact O-N 3.1Å
401L29.9Very low30.2Very low137 Ų137146.9 Ų146.972%0.71778%0.781SS**  trans-125.181.9164.4-106151.6000107.1I403L401-I403 HydrophobicContact CD2-CD1 3.78Å; L401-I403 HydrophobicContact CD2-CG1 3.98Å; L401-I403 PolarHBondContact O-N 3.39Å
402S24.3Very low29.7Very low110 Ų110147.9 Ų147.977%0.76979%0.786SS**  trans-65.9112.7154.865.20000108
403I30.9Very low29.8Very low145 Ų145145 Ų14574%0.74479%0.785SS**  trans-130.1113.9155.5-62.3-178.3000107.3L401 H405L401-I403 HydrophobicContact CD2-CD1 3.78Å; L401-I403 HydrophobicContact CD2-CG1 3.98Å; L401-I403 PolarHBondContact O-N 3.39Å; I403-H405 PolarHBondContact O-N 3.25Å
404D29.2Very low29.8Very low155 Ų155142.1 Ų142.183%0.82978%0.777SS**  trans-48.5125.8175.4-90.1-45.1000113.5
405H28.6Very low29.8Very low165 Ų165142.3 Ų142.376%0.76478%0.781SS**  trans15.9109.2131.8-94.1-82.5000119.7I403I403-H405 PolarHBondContact O-N 3.25Å
406S27.8Very low30Very low97 Ų97141.9 Ų141.968%0.67878%0.776SS**  63.1105.5117.363.90000120
407S26.1Very low29.6Very low108 Ų108142.4 Ų142.476%0.75578%0.78SS**  trans-165.293.4131.653.80000110.3
408F27Very low29.3Very low215 Ų215147.8 Ų147.894%0.94379%0.788SS**  trans-128.2109.9161.1-87.8-79.9000109.9
409I24.7Very low29Very low144 Ų144147.8 Ų147.874%0.73879%0.791SS**PPolyproline II helixtrans-81.4116.2169.3-64.3167.3000106.5Y411I409-Y411 HydrophobicContact CG2-CE2 4.21Å
410A26.7Very low28.9Very low90 Ų90145.8 Ų145.874%0.74479%0.794SS**PPolyproline II helixtrans-96.5118.1174.800000110
411Y25.9Very low29.1Very low209 Ų209143.1 Ų143.182%0.8280%0.795SS**PPolyproline II helixtrans-79.1121.1166.4-73.7-89.1000109.2I409I409-Y411 HydrophobicContact CG2-CE2 4.21Å
412Q25.6Very low29.1Very low197 Ų197140.3 Ų140.392%0.92180%0.799SS**PPolyproline II helixtrans-82.9119.8171.8-85.7174.8-21.700110.3
413I31.7Very low29.3Very low153 Ų153141.7 Ų141.779%0.78580%0.802SS**  trans-110.6129.1163.4-58.2174.7000106.7
414P31.3Very low29.2Very low112 Ų112146 Ų14673%0.72781%0.809SS**PPolyproline II helixtrans-76.3148.9-176.229.8-33.3000112.7
415P33.8Very low29.2Very low119 Ų119146.6 Ų146.677%0.77381%0.812SS**PPolyproline II helixtrans-80.4155.2177.933-33.8000112.7
416P33.4Very low29Very low101 Ų101147.3 Ų147.366%0.65682%0.818SS**PPolyproline II helixtrans-80.3157174.633.8-32.9000112.1
417P33Very low29Very low126 Ų126152.1 Ų152.182%0.81883%0.829SS**PPolyproline II helixtrans-90.3140.8-17835.1-30.2000111.9
418Y30.7Very low29.1Very low218 Ų218154.7 Ų154.786%0.85584%0.835SS**  trans-120.6134.6164-75.4-76000110.8
419S29.7Very low29.2Very low121 Ų121154.2 Ų154.285%0.84683%0.827SS**  trans-81131.9179.156.40000112.1
420L30.1Very low29.6Very low179 Ų179152.9 Ų152.994%0.93783%0.827SS**  trans-93.6127.8168.6-93.1125.8000110.7
421A30.2Very low30.1Very low105 Ų105151.9 Ų151.987%0.86881%0.809SS**  trans-134.5129.9160.500000109.5
422G31.3Very low30.7Very low78 Ų78144.8 Ų144.880%0.80480%0.8SS**  trans118.169150.200000117.9
423T26.6Very low31.4Very low138 Ų138142 Ų14285%0.84779%0.785SS**  trans-65135.9150.435.20000111.1
424R30.2Very low31.8Very low235 Ų235137.6 Ų137.689%0.88776%0.762SS**  trans-165.5114.7143.5-106.8177.2-161.9-165.55113.6
425L28.6Very low32.5Very low168 Ų168135.8 Ų135.888%0.8875%0.749SS**  trans62.9128.1134.1-69.5163.9000122
426M23.9Very low33.1Very low181 Ų181133.4 Ų133.489%0.89272%0.724SS**  trans-69.9146.3177.2-60.9-136-135.900113.7
427Q28.5Very low33.5Very low198 Ų198133.7 Ų133.793%0.92573%0.726SS**  trans-143130.6151.1-112.8176.20.700110
428N27.2Very low34Very low161 Ų161132.1 Ų132.186%0.86171%0.711SS**  trans-61.4124.3-175.9-78.2-30.7000113.8
429R29.5Very low34.6Very low206 Ų206124.6 Ų124.678%0.77770%0.7SS**  trans-163.5140149.8-110.2-178.7-172168.62.5109.6D431R429-D431 VanDerWaalsContact C-N 3.25Å; R429-D431 PolarHBondContact O-N 2.93Å
430P33.7Very low34.9Very low115 Ų115125.8 Ų125.875%0.74769%0.692SS**  trans-80.477.4179.633.8-30.5000109.1
431D38.3Very low35.1Very low69 Ų69129.1 Ų129.137%0.36969%0.692SS.*  trans-97.1109178.8-63.4-24.4000109.1R429 K433R429-D431 VanDerWaalsContact C-N 3.25Å; R429-D431 PolarHBondContact O-N 2.93Å; D431-K433 PolarHBondContact O-N 2.8Å
432G36.8Very low35.2Very low60 Ų60131.4 Ų131.462%0.61968%0.682SS**  trans-65.4127.8169.300000110.2
433K41Very low35Very low139 Ų139137 Ų13760%0.60469%0.69SS**EExtended strand (participates in β ladder)trans-117.7133.2-178-68177.8-175.2172.10110.5D431D431-K433 PolarHBondContact O-N 2.8Å
434I40.2Very low35.4Very low61 Ų61134 Ų13431%0.31367%0.672SS.*EExtended strand (participates in β ladder)trans-89.3122.8169.9-61.3175.3000107.7Y462I434-Y462 HydrophobicContact CG2-CD1 3.39Å; I434-Y462 HydrophobicContact CG2-CE1 4.03Å; I434-Y462 HydrophobicContact CG2-CG 4.32Å
435V46.5Very low35.4Very low73 Ų73126 Ų12644%0.44265%0.652SS.*EExtended strand (participates in β ladder)trans-114.7127.9-179.7-175.50000109.7
436R45.7Very low35.6Very low69 Ų69123.7 Ų123.726%0.2665%0.646SS.*  trans-79.2155.4172.6-78.8-174.4-169.7-151.1-6.3111.5D438 G439 D458 Y462R436-D438 VanDerWaalsContact CB-OD1 3.27Å; R436-D438 WeakPolarHBondContact CB-OD1 3.45Å; R436-D438 PolarHBondContact O-N 3.26Å; R436-D438 VanDerWaalsContact O-N 3.12Å; R436-G439 PolarHBondContact O-N 2.82Å; R436-D458 IonicContact CZ-OD1 3.1Å; R436-D458 IonicContact NH1-OD1 2.8Å; R436-D458 PolarHBondContact NH1-OD1 3.22Å; R436-D458 IonicContact NH2-OD1 2.67Å; R436-D458 PolarHBondContact NH2-OD1 3.3Å; R436-Y462 HydrophobicContact CG-CE1 3.88Å
437P42Very low36.3Very low107 Ų107119.4 Ų119.470%0.69563%0.634SS**THydrogen-bonded Turntrans-62.1-16.1178.5-20.631.4000115.6
438D44.3Very low36.8Very low93 Ų93115.2 Ų115.250%0.49762%0.618SS.*THydrogen-bonded Turntrans-103.21.3-173.265.9-4.3000114.3R436 Q440R436-D438 VanDerWaalsContact CB-OD1 3.27Å; R436-D438 WeakPolarHBondContact CB-OD1 3.45Å; R436-D438 PolarHBondContact O-N 3.26Å; R436-D438 VanDerWaalsContact O-N 3.12Å; D438-Q440 PolarHBondContact O-N 2.83Å; D438-Q440 VanDerWaalsContact O-N 3.08Å; D438-Q440 PolarHBondContact OD1-N 2.77Å; D438-Q440 VanDerWaalsContact OD1-N 3.08Å
439G43.2Very low37.8Very low61 Ų61109.8 Ų109.863%0.62959%0.593SS**  trans66.83.8-178.700000114.9R436 R441R436-G439 PolarHBondContact O-N 2.82Å; G439-R441 PolarHBondContact O-N 3.36Å
440Q34.6Very low38.5Very low146 Ų146106.8 Ų106.868%0.68259%0.586SS**  trans-81.2118.7177.4-70-157.7-0.400111D438 K442D438-Q440 PolarHBondContact O-N 2.83Å; D438-Q440 VanDerWaalsContact O-N 3.08Å; D438-Q440 PolarHBondContact OD1-N 2.77Å; D438-Q440 VanDerWaalsContact OD1-N 3.08Å; Q440-K442 PolarHBondContact O-N 2.86Å
441R34.3Very low39.3Very low249 Ų249103.5 Ų103.594%0.9456%0.561SS**  trans-77.497.9177.9-63.6-179.1-176.7-175.21.5109.8G439G439-R441 PolarHBondContact O-N 3.36Å
442K32.7Very low39.6Very low152 Ų152107.7 Ų107.766%0.66158%0.582SS**  trans-86.8121.4153.3-106.5180177.1174.10108.1Q440 V444Q440-K442 PolarHBondContact O-N 2.86Å; K442-V444 PolarHBondContact O-N 2.87Å; K442-V444 VanDerWaalsContact O-N 3.09Å
443M28.2Very low40Very low195 Ų195109.5 Ų109.596%0.96159%0.585SS**  trans-52.9111.4-179.7-79.4169.968.500110.6
444V34.1Very low40.6Very low77 Ų77103.3 Ų103.347%0.46756%0.56SS.*  trans-100.2130.1161.4-177.90000106K442K442-V444 PolarHBondContact O-N 2.87Å; K442-V444 VanDerWaalsContact O-N 3.09Å
445S31.2Very low41.4Very low67 Ų67102.2 Ų102.247%0.46956%0.558SS.*  trans-54.3138.4179.2-177.40000110.5S447 D448S445-S447 PolarHBondContact O-N 2.03Å; S445-S447 PolarHBondContact OG-OG 2.81Å; S445-D448 PolarHBondContact O-N 2.88Å
446P31.9Very low41.8Very low118 Ų118103.4 Ų103.477%0.76656%0.558SS**THydrogen-bonded Turntrans-63.6-4.2-177.6-1830.2000115.1
447S38Very low42.3Very low91 Ų91108.8 Ų108.864%0.63659%0.586SS**THydrogen-bonded Turntrans-123-8.3-171.655.10000115.1S445S445-S447 PolarHBondContact O-N 2.03Å; S445-S447 PolarHBondContact OG-OG 2.81Å
448D39Very low43Very low110 Ų110104.5 Ų104.559%0.58856%0.558SS**  trans-143.199.1-176.8-70.7-60.9000110.3S445 K450S445-D448 PolarHBondContact O-N 2.88Å; D448-K450 PolarHBondContact O-N 2.94Å
449S48.4Very low43.7Very low48 Ų48104.5 Ų104.534%0.33655%0.553SS.*  trans-72.857.9173.750.80000111.5
450K44.1Very low44.6Very low143 Ų143102.3 Ų102.362%0.62253%0.53SS*.  trans-118.3119.9-177.7-156.9172.7-173.9175.80110.4D448 I452D448-K450 PolarHBondContact O-N 2.94Å; K450-I452 PolarHBondContact O-N 3.02Å
451I50.7Low45.6Very low45 Ų4598 Ų9823%0.23151%0.511CS..  trans-79115.2169.6-59.5176.1000106.8S453 A454 L479 L510I451-S453 WeakPolarHBondContact CG2-O 3.36Å; I451-A454 HydrophobicContact CG2-CB 4.23Å; I451-L479 HydrophobicContact CD1-CD1 4.19Å; I451-L479 HydrophobicContact CD1-CD2 4.02Å; I451-L510 HydrophobicContact CB-CD1 4.47Å; I451-L510 HydrophobicContact CG2-CD1 4.33Å; I451-L510 WeakPolarHBondContact O-CD1 3.46Å
452I45.9Very low46.7Very low158 Ų15887.4 Ų87.481%0.8147%0.471SS*.  trans-88-23.9-173.9-58.7172.5000111.6K450K450-I452 PolarHBondContact O-N 3.02Å
453S43.9Very low47.5Very low97 Ų9781.6 Ų81.668%0.67845%0.448SS*.  trans-156.8145.6172.157.60000109.6I451I451-S453 WeakPolarHBondContact CG2-O 3.36Å
454A53.4Low48.7Very low9 Ų972.9 Ų72.97%0.07441%0.406CS..  trans-132.3141.317800000109.9I451 D458 L479 V481 Y508I451-A454 HydrophobicContact CG2-CB 4.23Å; A454-D458 HydrophobicContact CB-CB 4.38Å; A454-L479 HydrophobicContact CB-CD2 4.26Å; A454-V481 HydrophobicContact CB-CG2 3.77Å; A454-Y508 WeakPolarHBondContact O-CB 3.42Å; A454-Y508 WeakPolarHBondContact O-CD2 3.48Å
455S57.1Low49.5Very low38 Ų3870.6 Ų70.627%0.26639%0.391SS..  trans-109170.6174.867.30000110.6E457 D458S455-E457 PolarHBondContact O-N 2.82Å; S455-D458 WeakPolarHBondContact CB-OD2 2.99Å; S455-D458 PolarHBondContact N-OD2 3.32Å; S455-D458 WeakPolarHBondContact O-CB 2.86Å; S455-D458 PolarHBondContact O-N 2.87Å; S455-D458 PolarHBondContact OG-OD2 3.37Å
456E56.2Low50.5Low98 Ų9869.1 Ų69.146%0.45838%0.379SS..G310 helixtrans-60.4-25.8175.7-169.9136.4-141.300112.7D458 K459E456-D458 VanDerWaalsContact C-N 3.27Å; E456-D458 PolarHBondContact O-N 3.37Å; E456-K459 HydrophobicContact CG-CD 4.3Å; E456-K459 WeakPolarHBondContact O-CG 3.36Å; E456-K459 IonicContact OE1-NZ 2.72Å; E456-K459 PolarHBondContact OE1-NZ 3.34Å
457E55.7Low51.2Low182 Ų18270.3 Ų70.385%0.8537%0.368SS*.G310 helixtrans-73-16.5174.2-58.1-178.717400113.3S455S455-E457 PolarHBondContact O-N 2.82Å
458D55.9Low51.4Low17 Ų1769.6 Ų69.69%0.09136%0.357CS..G310 helixtrans-90.5-0.1-179.7-59.1-56.6000112.7R436 A454 S455 E456 G460 Y462 L479R436-D458 IonicContact CZ-OD1 3.1Å; R436-D458 IonicContact NH1-OD1 2.8Å; R436-D458 PolarHBondContact NH1-OD1 3.22Å; R436-D458 IonicContact NH2-OD1 2.67Å; R436-D458 PolarHBondContact NH2-OD1 3.3Å; A454-D458 HydrophobicContact CB-CB 4.38Å; S455-D458 WeakPolarHBondContact CB-OD2 2.99Å; S455-D458 PolarHBondContact N-OD2 3.32Å; S455-D458 WeakPolarHBondContact O-CB 2.86Å; S455-D458 PolarHBondContact O-N 2.87Å; S455-D458 PolarHBondContact OG-OD2 3.37Å; E456-D458 VanDerWaalsContact C-N 3.27Å; E456-D458 PolarHBondContact O-N 3.37Å; D458-G460 PolarHBondContact O-N 3.41Å; D458-Y462 PolarHBondContact O-OH 3.13Å; D458-L479 HydrophobicContact CB-CD2 4.43Å; D458-L479 WeakPolarHBondContact O-CD2 3.4Å
459K58.7Low51.6Low94 Ų9471.8 Ų71.841%0.40937%0.374SS..  trans-63.5123.8174.6-70.4176.4-179.9177.10110E456 V481E456-K459 HydrophobicContact CG-CD 4.3Å; E456-K459 WeakPolarHBondContact O-CG 3.36Å; E456-K459 IonicContact OE1-NZ 2.72Å; E456-K459 PolarHBondContact OE1-NZ 3.34Å; K459-V481 WeakPolarHBondContact CE-O 3.1Å; K459-V481 HydrophobicContact CG-CB 4.05Å; K459-V481 HydrophobicContact CG-CG2 4.07Å; K459-V481 PolarHBondContact NZ-O 3.47Å
460G62.6Low51.3Low14 Ų1475.5 Ų75.514%0.14440%0.395CS..EExtended strand (participates in β ladder)trans176.7175.818000000114.6D458 Y462 L479D458-G460 PolarHBondContact O-N 3.41Å; G460-Y462 WeakPolarHBondContact O-CD2 3.25Å; G460-L479 PolarHBondContact O-N 2.95Å
461E55.6Low51.2Low57 Ų5770.6 Ų70.627%0.26639%0.385SS..EExtended strand (participates in β ladder)trans-85.7128.2172.2-169.5172.1-157.200109.3T230T230-E461 WeakPolarHBondContact CG2-OE1 3.47Å
462Y57.4Low51.3Low25 Ų2572.3 Ų72.310%0.09839%0.392CS..EExtended strand (participates in β ladder)trans-113.3133.4-179.7-73.2-87.1000109.2I434 R436 D458 G460 N477 L479I434-Y462 HydrophobicContact CG2-CD1 3.39Å; I434-Y462 HydrophobicContact CG2-CE1 4.03Å; I434-Y462 HydrophobicContact CG2-CG 4.32Å; R436-Y462 HydrophobicContact CG-CE1 3.88Å; D458-Y462 PolarHBondContact O-OH 3.13Å; G460-Y462 WeakPolarHBondContact O-CD2 3.25Å; Y462-N477 PolarHBondContact N-O 3.37Å; Y462-N477 PolarHBondContact O-N 3.29Å; Y462-L479 HydrophobicContact CD2-CB 3.71Å; Y462-L479 HydrophobicContact CE2-CB 3.39Å; Y462-L479 HydrophobicContact CE2-CD2 3.71Å; Y462-L479 HydrophobicContact CE2-CG 4.17Å
463T49.9Very low51.4Low30 Ų3073.7 Ų73.718%0.18439%0.387CS..EExtended strand (participates in β ladder)trans-108125.3178.6-52.50000110.2I465 R474 F475 Y476T463-I465 HydrophobicContact CG2-CG1 3.96Å; T463-R474 HydrophobicContact CG2-CB 4.22Å; T463-R474 HydrophobicContact CG2-CG 4.5Å; T463-F475 CarbonylContact C-O 3.51Å; T463-F475 WeakPolarHBondContact CA-O 3.33Å; T463-Y476 HydrophobicContact CG2-CD1 4.38Å; T463-Y476 HydrophobicContact CG2-CE1 4.17Å
464C53.9Low51.9Low12 Ų1273.9 Ų73.98%0.08137%0.373CS..EExtended strand (participates in β ladder)trans-95.3114.7169.3-107.90000107.7R474 F475 C518C464-R474 CarbonylContact O-C 3.51Å; C464-R474 WeakPolarHBondContact O-CA 3.23Å; C464-F475 HydrophobicContact CB-CB 3.95Å; C464-F475 PolarHBondContact N-O 3.02Å; C464-F475 PolarHBondContact O-N 3.05Å; C464-C518 WeakPolarHBondContact CB-SG 3.47Å; C464-C518 WeakPolarHBondContact SG-CB 3.29Å; C464-C518 CovalentContact SG-SG 2.06Å; C464-C518 PolarHBondContact SG-SG 2.99Å
465I50.6Low51.9Low29 Ų2977.3 Ų77.315%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-104.2123.7176.5-53.1179.1000109T463 W467 E472 R474T463-I465 HydrophobicContact CG2-CG1 3.96Å; I465-W467 HydrophobicContact CB-CZ2 4.37Å; I465-W467 HydrophobicContact CG2-CD2 4.14Å; I465-W467 HydrophobicContact CG2-CE3 4.42Å; I465-W467 HydrophobicContact CG2-CH2 3.92Å; I465-W467 HydrophobicContact CG2-CZ2 3.58Å; I465-W467 HydrophobicContact CG2-CZ3 4.32Å; I465-E472 HydrophobicContact CG2-CG 3.64Å; I465-E472 VanDerWaalsContact CG2-OE1 3.29Å; I465-E472 WeakPolarHBondContact CG2-OE1 3.42Å; I465-R474 HydrophobicContact CG1-CG 4.35Å
466V51.6Low51.6Low37 Ų3779.6 Ų79.622%0.22439%0.39CS..EExtended strand (participates in β ladder)trans-116.6128.4176.7-173.50000108.8R473 F475 W521V466-R473 PolarHBondContact N-O 2.9Å; V466-R473 PolarHBondContact O-N 2.98Å; V466-F475 HydrophobicContact CG2-CD2 4.21Å; V466-F475 HydrophobicContact CG2-CE2 3.99Å; V466-W521 HydrophobicContact CG1-CZ2 4.32Å
467W46.2Very low51.4Low143 Ų14377.2 Ų77.254%0.54238%0.38SS..EExtended strand (participates in β ladder)trans-104133.7179.5-38.486.5000109I465 E472I465-W467 HydrophobicContact CB-CZ2 4.37Å; I465-W467 HydrophobicContact CG2-CD2 4.14Å; I465-W467 HydrophobicContact CG2-CE3 4.42Å; I465-W467 HydrophobicContact CG2-CH2 3.92Å; I465-W467 HydrophobicContact CG2-CZ2 3.58Å; I465-W467 HydrophobicContact CG2-CZ3 4.32Å; W467-E472 HydrophobicContact CE3-CB 4.46Å; W467-E472 HydrophobicContact CE3-CG 4.16Å; W467-E472 HydrophobicContact CZ3-CG 4.12Å
468N43.3Very low51.2Low75 Ų7574.3 Ų74.340%0.40137%0.366SS..EExtended strand (participates in β ladder)trans-130.1176.5161.281.4-0.1000110.5V470 G471 W521N468-V470 PolarHBondContact O-N 3.18Å; N468-V470 VanDerWaalsContact O-N 3.14Å; N468-V470 VanDerWaalsContact OD1-CA 3.28Å; N468-V470 WeakPolarHBondContact OD1-CA 3.37Å; N468-V470 WeakPolarHBondContact OD1-CB 3.09Å; N468-V470 PolarHBondContact OD1-N 2Å; N468-G471 PolarHBondContact N-O 3.44Å; N468-G471 PolarHBondContact O-N 3.14Å; N468-G471 PolarHBondContact OD1-N 2.79Å; N468-G471 PolarHBondContact OD1-O 3.25Å; N468-G471 VanDerWaalsContact OD1-O 3.04Å; N468-W521 HydrophobicContact CB-CH2 4.39Å
469V41.6Very low51.1Low156 Ų15674.2 Ų74.295%0.94537%0.366SS*.THydrogen-bonded Turntrans-66.2-9178.8-64.70000114.4
470V43.5Very low50.9Low127 Ų12775.8 Ų75.877%0.7738%0.377SS*.THydrogen-bonded Turntrans-107.6-14.8-177-170.20000111.9N468N468-V470 PolarHBondContact O-N 3.18Å; N468-V470 VanDerWaalsContact O-N 3.14Å; N468-V470 VanDerWaalsContact OD1-CA 3.28Å; N468-V470 WeakPolarHBondContact OD1-CA 3.37Å; N468-V470 WeakPolarHBondContact OD1-CB 3.09Å; N468-V470 PolarHBondContact OD1-N 2Å
471G40.9Very low50.5Low40 Ų4075.7 Ų75.741%0.41237%0.374SS..EExtended strand (participates in β ladder)trans154.9-176.5179.400000115N468N468-G471 PolarHBondContact N-O 3.44Å; N468-G471 PolarHBondContact O-N 3.14Å; N468-G471 PolarHBondContact OD1-N 2.79Å; N468-G471 PolarHBondContact OD1-O 3.25Å; N468-G471 VanDerWaalsContact OD1-O 3.04Å
472E52.9Low50.2Low80 Ų8079.4 Ų79.437%0.37439%0.391SS..EExtended strand (participates in β ladder)trans-98.5132.8178.1-175.1-174.1163.500110I465 W467 R474I465-E472 HydrophobicContact CG2-CG 3.64Å; I465-E472 VanDerWaalsContact CG2-OE1 3.29Å; I465-E472 WeakPolarHBondContact CG2-OE1 3.42Å; W467-E472 HydrophobicContact CE3-CB 4.46Å; W467-E472 HydrophobicContact CE3-CG 4.16Å; W467-E472 HydrophobicContact CZ3-CG 4.12Å; E472-R474 HydrophobicContact CG-CG 4.47Å; E472-R474 IonicContact OE1-CZ 2.93Å; E472-R474 VanDerWaalsContact OE1-CZ 3.23Å; E472-R474 IonicContact OE1-NE 3.8Å; E472-R474 PolarHBondContact OE1-NE 2.81Å; E472-R474 IonicContact OE1-NH2 3.92Å; E472-R474 PolarHBondContact OE1-NH2 3.3Å; E472-R474 IonicContact OE2-NH2 3.4Å; E472-R474 PolarHBondContact OE2-NH2 3.27Å
473R47.7Very low49.9Very low188 Ų18884.4 Ų84.471%0.70942%0.415SS*.EExtended strand (participates in β ladder)trans-116133.4165.7-75.3-162.9-177.4-147.24.2110.3V466 F475V466-R473 PolarHBondContact N-O 2.9Å; V466-R473 PolarHBondContact O-N 2.98Å; R473-F475 HydrophobicContact CB-CE2 4.31Å
474R56.2Low49.8Very low100 Ų10086.4 Ų86.438%0.37743%0.429SS..EExtended strand (participates in β ladder)trans-110.2134.5176.8-61-174.5178.6163.98110.5T463 C464 I465 E472 Y476T463-R474 HydrophobicContact CG2-CB 4.22Å; T463-R474 HydrophobicContact CG2-CG 4.5Å; C464-R474 CarbonylContact O-C 3.51Å; C464-R474 WeakPolarHBondContact O-CA 3.23Å; I465-R474 HydrophobicContact CG1-CG 4.35Å; E472-R474 HydrophobicContact CG-CG 4.47Å; E472-R474 IonicContact OE1-CZ 2.93Å; E472-R474 VanDerWaalsContact OE1-CZ 3.23Å; E472-R474 IonicContact OE1-NE 3.8Å; E472-R474 PolarHBondContact OE1-NE 2.81Å; E472-R474 IonicContact OE1-NH2 3.92Å; E472-R474 PolarHBondContact OE1-NH2 3.3Å; E472-R474 IonicContact OE2-NH2 3.4Å; E472-R474 PolarHBondContact OE2-NH2 3.27Å; R474-Y476 HydrophobicContact CB-CE2 4.29Å
475F51.5Low49.1Very low81 Ų8193.4 Ų93.436%0.35547%0.465SS..EExtended strand (participates in β ladder)trans-117.2133.1172-60.9-89.6000109.3T463 C464 V466 R473T463-F475 CarbonylContact C-O 3.51Å; T463-F475 WeakPolarHBondContact CA-O 3.33Å; C464-F475 HydrophobicContact CB-CB 3.95Å; C464-F475 PolarHBondContact N-O 3.02Å; C464-F475 PolarHBondContact O-N 3.05Å; V466-F475 HydrophobicContact CG2-CD2 4.21Å; V466-F475 HydrophobicContact CG2-CE2 3.99Å; R473-F475 HydrophobicContact CB-CE2 4.31Å
476Y52.1Low48.4Very low87 Ų87102 Ų10234%0.34150%0.504SS..EExtended strand (participates in β ladder)trans-108122.1-179.1-57.2-86.9000109.6P231 T463 R474P231-Y476 VanDerWaalsContact CD-OH 3.3Å; P231-Y476 WeakPolarHBondContact CD-OH 3.38Å; P231-Y476 WeakPolarHBondContact CG-OH 3.49Å; T463-Y476 HydrophobicContact CG2-CD1 4.38Å; T463-Y476 HydrophobicContact CG2-CE1 4.17Å; R474-Y476 HydrophobicContact CB-CE2 4.29Å
477N50.6Low47.8Very low47 Ų47104 Ų10425%0.25153%0.532SS..EExtended strand (participates in β ladder)trans-121.7147.7177.6-71.7-14.8000109.8Y462 A515Y462-N477 PolarHBondContact N-O 3.37Å; Y462-N477 PolarHBondContact O-N 3.29Å; N477-A515 PolarHBondContact ND2-O 3.44Å; N477-A515 VanDerWaalsContact ND2-O 3.12Å
478H52.5Low47.4Very low121 Ų121104.9 Ų104.956%0.5654%0.542SS*.EExtended strand (participates in β ladder)trans-111.9123.1179.2-149.4-69.2000110.1
479L54.7Low46.8Very low16 Ų16109.8 Ų109.88%0.08457%0.569CS.*EExtended strand (participates in β ladder)trans-87.7127.9173.8-169.869000109.6I451 A454 D458 G460 Y462 V481 L510I451-L479 HydrophobicContact CD1-CD1 4.19Å; I451-L479 HydrophobicContact CD1-CD2 4.02Å; A454-L479 HydrophobicContact CB-CD2 4.26Å; D458-L479 HydrophobicContact CB-CD2 4.43Å; D458-L479 WeakPolarHBondContact O-CD2 3.4Å; G460-L479 PolarHBondContact O-N 2.95Å; Y462-L479 HydrophobicContact CD2-CB 3.71Å; Y462-L479 HydrophobicContact CE2-CB 3.39Å; Y462-L479 HydrophobicContact CE2-CD2 3.71Å; Y462-L479 HydrophobicContact CE2-CG 4.17Å; L479-V481 HydrophobicContact CD2-CG2 4.4Å; L479-V481 HydrophobicContact CG-CG2 4.43Å; L479-L510 HydrophobicContact CD1-CD2 4.42Å
480I54.5Low46.8Very low126 Ų126108.1 Ų108.165%0.64655%0.553SS**  trans-118122.5175.6-55.2175.4000107.4Q482I480-Q482 HydrophobicContact CG2-CG 4.29Å
481V53.2Low46.2Very low12 Ų12113.2 Ų113.27%0.07356%0.559CS.*  trans-106117.6174.6-176.60000108.3A454 K459 L479 Y508A454-V481 HydrophobicContact CB-CG2 3.77Å; K459-V481 WeakPolarHBondContact CE-O 3.1Å; K459-V481 HydrophobicContact CG-CB 4.05Å; K459-V481 HydrophobicContact CG-CG2 4.07Å; K459-V481 PolarHBondContact NZ-O 3.47Å; L479-V481 HydrophobicContact CD2-CG2 4.4Å; L479-V481 HydrophobicContact CG-CG2 4.43Å; V481-Y508 HydrophobicContact CG1-CD1 3.51Å; V481-Y508 HydrophobicContact CG1-CE1 3.99Å; V481-Y508 HydrophobicContact CG1-CG 3.8Å
482Q49.8Very low45.9Very low136 Ų136116.2 Ų116.264%0.63657%0.57SS**PPolyproline II helixtrans-102.2137.4176.4-69.7-176-28.400110I480 Y508I480-Q482 HydrophobicContact CG2-CG 4.29Å; Q482-Y508 WeakPolarHBondContact O-CD1 3.32Å
483Q50.3Low44.9Very low130 Ų130118.2 Ų118.261%0.60759%0.59SS**PPolyproline II helixtrans-68.5137.5168.9-73.2176.4-2.600108.9L485 Y508Q483-L485 PolarHBondContact O-N 2.79Å; Q483-Y508 HydrophobicContact CG-CE1 3.88Å
484P47.5Very low44Very low72 Ų72117.2 Ų117.247%0.46860%0.597SS.*PPolyproline II helixtrans-62.5131.7175.225.3-31.3000109.5E486P484-E486 PolarHBondContact O-N 3.45Å
485L40.2Very low42.9Very low159 Ų159118.5 Ų118.583%0.83262%0.617SS**PPolyproline II helixtrans-58.5127172.2-73.4161.4000108.9Q483 G487Q483-L485 PolarHBondContact O-N 2.79Å; L485-G487 PolarHBondContact O-N 3.36Å
486E36.2Very low41.7Very low210 Ų210119.3 Ų119.398%0.98163%0.632SS**THydrogen-bonded Turntrans-59.7100.7179.6-155.6158.3-155.400109.2P484P484-E486 PolarHBondContact O-N 3.45Å
487G38.4Very low40.5Very low79 Ų79123.4 Ų123.481%0.81466%0.659SS**THydrogen-bonded Turntrans150.1-7.2-179.700000118.5L485L485-G487 PolarHBondContact O-N 3.36Å
488Q37.4Very low39.3Very low161 Ų161124.6 Ų124.675%0.75268%0.683SS**  trans-106.5113.3178.5-75.7-173.2-8.700113.2I490Q488-I490 HydrophobicContact CB-CG1 4.29Å; Q488-I490 PolarHBondContact O-N 2.87Å
489N32Very low38.1Very low178 Ų178129 Ų12995%0.95270%0.7SS**  trans-69.688.4169.7-94.7-37.7000110.6
490I40.7Very low37Very low120 Ų120133 Ų13362%0.61574%0.736SS**  trans-95.4105.6173-53.9177.9000108.6Q488Q488-I490 HydrophobicContact CB-CG1 4.29Å; Q488-I490 PolarHBondContact O-N 2.87Å
491R31.6Very low35.6Very low235 Ų235136.7 Ų136.789%0.88775%0.75SS**PPolyproline II helixtrans-79.6121.5174.1-165.3-176.5-68.7-127.82.5108.5
492P34.8Very low34.5Very low102 Ų102145.9 Ų145.966%0.66279%0.789SS**PPolyproline II helixtrans-74.7149.4-179.429.2-32.7000111.5
493P30.7Very low33.4Very low122 Ų122149.5 Ų149.579%0.79280%0.803SS**PPolyproline II helixtrans-73139.2175.931.4-32.8000110.5
494I28.9Very low32.3Very low167 Ų167147 Ų14786%0.85681%0.812SS**PPolyproline II helixtrans-79.2116.8-178.6-61.2164.4000108.2
495T32.7Very low31.5Very low128 Ų128149.6 Ų149.679%0.78583%0.826SS**  trans-151.199158.2-7.40000111.5
496S26.6Very low31.2Very low97 Ų97147.9 Ų147.968%0.67882%0.817SS**  trans17.2142.4153.271.10000123.7
497L27.4Very low31.1Very low174 Ų174143.2 Ų143.291%0.91181%0.805SS**  trans82.1104.2161.1-77.5111.7000119.9
498G26Very low30.9Very low72 Ų72142.4 Ų142.474%0.74278%0.777SS**  120.878.4117.400000119.2
499K27.9Very low30.8Very low213 Ų213138 Ų13893%0.92677%0.768SS**  trans74.3130.9146.4-65.9-179178177.30120.7
500A29.6Very low30.9Very low101 Ų101132.8 Ų132.884%0.83574%0.74SS**  trans83.988.2154.400000118.4
501Q26.3Very low30.5Very low203 Ų203133.6 Ų133.695%0.94975%0.745SS**  trans-55128.7156.9-78.5175.8-53.300111.5
502K29.4Very low30.5Very low205 Ų205131.7 Ų131.789%0.89175%0.746SS**  trans-129.7134.5149.6-135.8176.3-175179.80108.1
503K27.7Very low30.3Very low212 Ų212129.2 Ų129.292%0.92273%0.732SS**SBendtrans-43.8133.6-169-77.3170.6167.2176.60115.1
504G27.7Very low30.5Very low77 Ų77129.4 Ų129.479%0.79473%0.733SS**  trans84.374.5144.100000116.8
505T30.4Very low30.8Very low126 Ų126123.3 Ų123.377%0.77371%0.707SS**  trans-142.2113.7164.6-350000108.6
506I33.6Very low31.1Very low123 Ų123118.6 Ų118.663%0.63168%0.678SS**  trans-66.7127.9174.6-59.8169.8000107.2Y508I506-Y508 PolarHBondContact O-N 3.22Å
507P33.8Very low31.7Very low112 Ų112120.1 Ų120.173%0.72767%0.673SS**  trans-71.8115.3179.227.8-30.8000109.5
508Y34.6Very low32.3Very low62 Ų62113.7 Ų113.724%0.24364%0.642CS.*  trans-74.2123.2165.4-67.1-86.6000108.5A454 V481 Q482 Q483 I506A454-Y508 WeakPolarHBondContact O-CB 3.42Å; A454-Y508 WeakPolarHBondContact O-CD2 3.48Å; V481-Y508 HydrophobicContact CG1-CD1 3.51Å; V481-Y508 HydrophobicContact CG1-CE1 3.99Å; V481-Y508 HydrophobicContact CG1-CG 3.8Å; Q482-Y508 WeakPolarHBondContact O-CD1 3.32Å; Q483-Y508 HydrophobicContact CG-CE1 3.88Å; I506-Y508 PolarHBondContact O-N 3.22Å
509A35.1Very low33.2Very low68 Ų68114.2 Ų114.256%0.56263%0.632SS**  trans-75.9123171.500000109.3L511A509-L511 PolarHBondContact O-N 3.16Å
510L33.6Very low33.7Very low70 Ų70109.7 Ų109.737%0.36663%0.625SS.*  trans-73.3110.8165.2-87.1150.8000107.6I451 L479 E512I451-L510 HydrophobicContact CB-CD1 4.47Å; I451-L510 HydrophobicContact CG2-CD1 4.33Å; I451-L510 WeakPolarHBondContact O-CD1 3.46Å; L479-L510 HydrophobicContact CD1-CD2 4.42Å; L510-E512 PolarHBondContact O-N 3.34Å
511L31.4Very low34Very low137 Ų137112.8 Ų112.872%0.71762%0.615SS**  trans-62.3126.2156.4-100.6100.1000106.8A509 S513A509-L511 PolarHBondContact O-N 3.16Å; L511-S513 PolarHBondContact O-N 3.21Å
512E32.8Very low34.1Very low195 Ų195108.5 Ų108.591%0.91161%0.607SS**  trans-60.183.9170.6-70.5-177.2159.700109.2L510L510-E512 PolarHBondContact O-N 3.34Å
513S29.4Very low33.9Very low50 Ų50107.4 Ų107.435%0.3560%0.603SS.*  trans-89.1144.1170.178.60000108.5L511 A515 T516L511-S513 PolarHBondContact O-N 3.21Å; S513-A515 PolarHBondContact O-N 3.16Å; S513-A515 WeakPolarHBondContact OG-CB 3.38Å; S513-T516 PolarHBondContact O-N 2.79Å; S513-T516 PolarHBondContact O-OG1 3.11Å
514P35.3Very low33.7Very low126 Ų126103.3 Ų103.382%0.81860%0.6SS**G310 helixtrans-59.9-8.3175.222.3-30.9000113.4T516P514-T516 PolarHBondContact O-N 3.22Å
515A35.4Very low33.6Very low38 Ų38109.6 Ų109.631%0.31463%0.629SS.*G310 helixtrans-72.6-9.9176.700000114.5N477 S513N477-A515 PolarHBondContact ND2-O 3.44Å; N477-A515 VanDerWaalsContact ND2-O 3.12Å; S513-A515 PolarHBondContact O-N 3.16Å; S513-A515 WeakPolarHBondContact OG-CB 3.38Å
516T38.4Very low33.8Very low30 Ų30108.8 Ų108.818%0.18462%0.622CS.*G310 helixtrans-88.1-8.6-176.6-130000114.1S513 P514S513-T516 PolarHBondContact O-N 2.79Å; S513-T516 PolarHBondContact O-OG1 3.11Å; P514-T516 PolarHBondContact O-N 3.22Å
517F39.9Very low33.8Very low129 Ų129108 Ų10857%0.56662%0.621SS**SBendtrans-119131.9-177.1-77.7-88.8000111.6
518C41.2Very low33.8Very low39 Ų39107.8 Ų107.826%0.26462%0.615SS.*PPolyproline II helixtrans-71.1123.9160.8-125.40000106.4C464C464-C518 WeakPolarHBondContact CB-SG 3.47Å; C464-C518 WeakPolarHBondContact SG-CB 3.29Å; C464-C518 CovalentContact SG-SG 2.06Å; C464-C518 PolarHBondContact SG-SG 2.99Å
519P43Very low33.7Very low82 Ų82110.5 Ų110.553%0.53264%0.637SS.*PPolyproline II helixtrans-65.8135.9-172.223.3-31.9000112
520P39Very low33.6Very low119 Ų119113.1 Ų113.177%0.77364%0.642SS**PPolyproline II helixtrans-69.5143.2168.728.7-30.9000109.9S522P520-S522 PolarHBondContact O-N 3.47Å
521W35.7Very low33.6Very low165 Ų165116 Ų11663%0.62566%0.66SS**  trans-64.8115.5-178.5-73.341.1000110.6V466 N468V466-W521 HydrophobicContact CG1-CZ2 4.32Å; N468-W521 HydrophobicContact CB-CH2 4.39Å
522S28.6Very low33.8Very low113 Ų113114.5 Ų114.579%0.7966%0.656SS**  trans-89107.7154.857.80000108P520 C524P520-S522 PolarHBondContact O-N 3.47Å; S522-C524 PolarHBondContact O-N 3.12Å
523F25Very low33.9Very low183 Ų183108.3 Ų108.380%0.80364%0.637SS**  trans-58.8119.3167-83.5-96.8000109.1
524C23.5Very low34.3Very low126 Ų126113.2 Ų113.285%0.85166%0.66SS**  trans-120.8128.9154.2-101.40000107.1S522S522-C524 PolarHBondContact O-N 3.12Å
525C26Very low34.2Very low208 Ų208112 Ų112100%1.40565%0.646SS**  trans-53.30-169.7-67.60000115.5

Retrieved 525 of 525 residues in 947.9 ms (Link to these results)