A0A093HG21_STRCA Loading...

Fibronectin type III domain-containing protein 3B

AlphaFold DB , UniProt , Accession A0A093HG21, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,212 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.7Very low28.6Very low233 Ų233146.7 Ų146.7100%1.14874%0.742SS**  0122.90-70.2176174.400105.7
2Y23.3Very low30.4Very low219 Ų219143.5 Ų143.586%0.85974%0.739SS**  cis58.6136.545.3-65.3-50.9000111.9
3V24.9Very low30.2Very low104 Ų104143.8 Ų143.863%0.6374%0.742SS**  cis-149.41363.5115.70000105.8
4T29.4Very low29.9Very low116 Ų116145.1 Ų145.171%0.71274%0.742SS**  53.5135.889.6-19.70000114.4
5M29.4Very low29.5Very low139 Ų139145.6 Ų145.669%0.68575%0.746SS**  152.8161.399.3-103.9167.878.100107.6
6M27.2Very low30.4Very low145 Ų145143.5 Ų143.571%0.71475%0.745SS**  cis-126164.63.6-70-161.8-148.900109.3
7M30.9Very low31.8Very low166 Ų166141.2 Ų141.282%0.81874%0.741SS**  cis61147.548.9-72.4-174.8171.600113.1
8T30.6Very low31.5Very low113 Ų113142 Ų14269%0.69375%0.745SS**  cis-144.9176.241.745.90000111.2
9D30.3Very low31.4Very low114 Ų114142.3 Ų142.361%0.6175%0.747SS**  cis-167.1168.8-0.9-116.724000106.3
10Q29.5Very low31.2Very low137 Ų137143.1 Ų143.164%0.6475%0.752SS**  cis-146.7167.71.6-84.4-123.1-13.600107.5
11I29.3Very low30.9Very low128 Ų128140.1 Ų140.166%0.65676%0.755SS**  cis78.4139.433.1-55.1166.7000112.3
12P50.5Low30.7Very low108 Ų108137.8 Ų137.870%0.70174%0.742SS**  cis-106.7-163.5-5.313.611.9000111.5
13L27.5Very low30.9Very low148 Ų148133.6 Ų133.678%0.77574%0.739SS**  cis-168.9175.2-31.5-92.9164.9000105.2
14E25.6Very low30.9Very low161 Ų161132.4 Ų132.475%0.75274%0.74SS**  cis-144.9-126.96.6-157.5151.6-75.200112
15L23.7Very low30.6Very low153 Ų153135.6 Ų135.680%0.80175%0.749SS**  trans-158.6179.1-168-88.3173.7000110.2
16P44.4Very low30.6Very low112 Ų112137.3 Ų137.373%0.72776%0.757SS**  cis-130.6-148.4-16.828.7-2.7000111.5
17P53.7Low31.4Very low105 Ų105135.4 Ų135.468%0.68276%0.755SS**  -133.1-171.5-73.241.9-26.1000116.3
18L27.2Very low31.2Very low155 Ų155135.5 Ų135.581%0.81275%0.754SS**  trans97141.6148.1-77168.5000123.4
19L28.7Very low31.1Very low147 Ų147138.2 Ų138.277%0.7776%0.762SS**  trans92154.8148.7-83.6163.4000123.4
20N28.3Very low31.1Very low159 Ų159138.8 Ų138.885%0.8577%0.769SS**  trans-80.4170.5-165.4-44.9-21.9000114.5
21G25.3Very low31.4Very low80 Ų80140.1 Ų140.183%0.82578%0.781SS**  trans158.4135150.300000117
22E25.6Very low31.3Very low184 Ų184137.5 Ų137.586%0.8679%0.785SS**  trans-100.3154.3-176.3-71.5-173.210800115.7
23V26.8Very low30.6Very low132 Ų132141 Ų14180%0.880%0.798SS**  trans74.6154.2133.7161.90000122.6
24A24.8Very low30.8Very low79 Ų79137.4 Ų137.465%0.65380%0.797SS**  trans83.4143.8163.200000118.9
25M24.3Very low31.9Very low182 Ų182134.3 Ų134.390%0.89779%0.793SS**  cis-157.9175.8-13.8-121.4-162.7-68.200112.5
26M28.2Very low32.5Very low175 Ų175134 Ų13486%0.86279%0.788SS**  trans-68167.2173.9-124.8-170.6-163.900113.3
27P44.3Very low32.4Very low105 Ų105132.8 Ų132.868%0.68277%0.772SS**  -159.6171.469.343.7-22.5000120.6
28H26.3Very low32Very low168 Ų168131.3 Ų131.378%0.77876%0.761SS**  trans57.1138.6150.1-73.4-56.3000123.9
29I28.2Very low33.3Very low171 Ų171125 Ų12588%0.87773%0.727SS**  trans-158.2166.8134.2-107.4160000110
30V30.1Very low34.2Very low125 Ų125122.3 Ų122.376%0.75871%0.713SS**  trans-116.3155.1-173.1173.50000111.8
31N36.6Very low35.3Very low165 Ų165116 Ų11688%0.88268%0.681SS**  trans-37145.2-179.2-58.9-8.2000117.6
32G27.4Very low36.6Very low73 Ų73118.7 Ų118.775%0.75367%0.672SS**  trans-157.1149.1162.300000111.1
33D35.1Very low38.3Very low182 Ų182110.3 Ų110.397%0.97363%0.633SS**SBendtrans-60.8148.1-168.8-70.5-63.7000116.2
34G32.9Very low39.7Very low73 Ų73107.9 Ų107.975%0.75362%0.616SS**  trans13098.4165.600000113.8Q36G34-Q36 PolarHBondContact O-N 3.04Å
35S48.2Very low40.9Very low95 Ų95108.9 Ų108.966%0.66462%0.615SS**  trans-75.7105-175.656.90000113.4
36Q36.6Very low42.1Very low148 Ų148104 Ų10469%0.69261%0.612SS**  trans-123.9124.1154.2-69.5-172.7-9.700108.4G34G34-Q36 PolarHBondContact O-N 3.04Å
37Q42.2Very low43.3Very low85 Ų8599.6 Ų99.640%0.39759%0.589SS.*EExtended strand (participates in β ladder)trans-104.5126.6173.1-73.1-172.6-20.300109.4F39 S71Q37-F39 HydrophobicContact CB-CD2 4.47Å; Q37-F39 HydrophobicContact CB-CE2 3.64Å; Q37-F39 HydrophobicContact CB-CZ 3.79Å; Q37-S71 PolarHBondContact O-N 2.96Å
38V44.5Very low43.7Very low74 Ų7498.2 Ų98.245%0.44858%0.579SS.*EExtended strand (participates in β ladder)trans-94127.8171.1-177.40000107.8P68 M69 M70V38-P68 HydrophobicContact CG1-CB 3.87Å; V38-M69 WeakPolarHBondContact CA-O 3.41Å; V38-M70 HydrophobicContact CG2-CE 4.42Å; V38-M70 HydrophobicContact CG2-CG 4.33Å
39F54.3Low45.2Very low22 Ų2293 Ų9310%0.09655%0.554CS.*EExtended strand (participates in β ladder)trans-111.3136.7173.8-57.5-93.4000108.4Q37 M69 I76 R97Q37-F39 HydrophobicContact CB-CD2 4.47Å; Q37-F39 HydrophobicContact CB-CE2 3.64Å; Q37-F39 HydrophobicContact CB-CZ 3.79Å; F39-M69 PolarHBondContact N-O 2.68Å; F39-M69 PolarHBondContact O-N 3Å; F39-I76 HydrophobicContact CE1-CD1 4.42Å; F39-I76 HydrophobicContact CE1-CG1 4.03Å; F39-I76 HydrophobicContact CZ-CG1 4.15Å; F39-R97 HydrophobicContact CD1-CB 4.37Å; F39-R97 HydrophobicContact CE1-CB 4.04Å
40L48.7Very low46.5Very low91 Ų9188.3 Ų88.348%0.47653%0.533SS..EExtended strand (participates in β ladder)trans-99.6126.7175.4-74.7162.4000109.3P68L40-P68 HydrophobicContact CD2-CB 4.1Å
41V51.8Low47.6Very low28 Ų2883.9 Ų83.917%0.1751%0.505CS..EExtended strand (participates in β ladder)trans-106.9121.6168.4-176.50000108.4F49 E66 V67 M69V41-F49 HydrophobicContact CB-CE1 4.48Å; V41-F49 HydrophobicContact CG1-CD1 3.97Å; V41-F49 HydrophobicContact CG1-CE1 3.73Å; V41-F49 HydrophobicContact CG1-CG 4.47Å; V41-F49 HydrophobicContact CG1-CZ 4.05Å; V41-F49 HydrophobicContact CG2-CE1 4.41Å; V41-E66 WeakPolarHBondContact O-CA 3.2Å; V41-V67 PolarHBondContact N-O 2.78Å; V41-V67 VanDerWaalsContact N-O 3.11Å; V41-V67 PolarHBondContact O-N 3.42Å; V41-M69 HydrophobicContact CG2-SD 4.35Å
42Q51.7Low48.2Very low136 Ų13684.9 Ų84.964%0.63650%0.497SS*.EExtended strand (participates in β ladder)trans-101.4123.5176.8-172.5178.68.700108.9E66Q42-E66 HydrophobicContact CB-CG 4.45Å; Q42-E66 HydrophobicContact CG-CG 4.24Å
43V62.3Low49.4Very low8 Ų883.2 Ų83.25%0.04848%0.476CS..EExtended strand (participates in β ladder)trans-107.7126.3177.8-170.70000108.4E47 F49 I61 P64 A65V43-E47 HydrophobicContact CG1-CB 4.05Å; V43-F49 HydrophobicContact CG1-CB 4.17Å; V43-F49 HydrophobicContact CG2-CB 3.64Å; V43-F49 HydrophobicContact CG2-CG 4.32Å; V43-I61 HydrophobicContact CG2-CG2 4.11Å; V43-P64 WeakPolarHBondContact O-CA 3.36Å; V43-A65 PolarHBondContact N-O 3.35Å; V43-A65 PolarHBondContact O-N 2.89Å
44N55.2Low49.7Very low81 Ų8184 Ų8443%0.43347%0.473SS..  trans-76.4158.4-175.4-57.5-66.6000112.4G46 E47 G63N44-G46 PolarHBondContact O-N 2.83Å; N44-E47 HydrophobicContact CB-CG 4.24Å; N44-E47 VanDerWaalsContact CB-OE2 3.32Å; N44-E47 WeakPolarHBondContact CB-OE2 3.43Å; N44-E47 PolarHBondContact ND2-OE2 2.72Å; N44-E47 PolarHBondContact O-N 3.36Å; N44-G63 WeakPolarHBondContact O-CA 3.23Å
45P50.5Low50.5Low100 Ų10086.2 Ų86.265%0.64947%0.468SS*.THydrogen-bonded Turntrans-53.4124.6174.9-23.732.3000112.4E47 P64P45-E47 VanDerWaalsContact C-N 3.33Å; P45-P64 HydrophobicContact CG-CB 4.08Å; P45-P64 HydrophobicContact CG-CG 4.32Å
46G49.1Very low50.3Low80 Ų8083 Ų8383%0.82545%0.45SS*.THydrogen-bonded Turntrans87-10.6-179.500000115.4N44N44-G46 PolarHBondContact O-N 2.83Å
47E53.2Low50.9Low82 Ų8279.1 Ų79.138%0.38344%0.437SS..  trans-86.3153.5172.8-62.7-169.813400111.6V43 N44 P45 G63V43-E47 HydrophobicContact CG1-CB 4.05Å; N44-E47 HydrophobicContact CB-CG 4.24Å; N44-E47 VanDerWaalsContact CB-OE2 3.32Å; N44-E47 WeakPolarHBondContact CB-OE2 3.43Å; N44-E47 PolarHBondContact ND2-OE2 2.72Å; N44-E47 PolarHBondContact O-N 3.36Å; P45-E47 VanDerWaalsContact C-N 3.33Å; E47-G63 PolarHBondContact O-N 2.84Å
48T53Low51.1Low75 Ų7580.9 Ų80.946%0.4645%0.448SS..EExtended strand (participates in β ladder)trans-126.8119.7175.4-58.90000109.4C60 I61 Q62T48-C60 HydrophobicContact CG2-CB 4.11Å; T48-I61 CarbonylContact C-O 3.59Å; T48-I61 WeakPolarHBondContact CA-O 3.37Å; T48-Q62 HydrophobicContact CG2-CG 4.14Å
49F57.8Low51.5Low58 Ų5882.6 Ų82.625%0.25445%0.451SS..EExtended strand (participates in β ladder)trans-101133.7178.5-173-115000110V41 V43 I51 C60 I61V41-F49 HydrophobicContact CB-CE1 4.48Å; V41-F49 HydrophobicContact CG1-CD1 3.97Å; V41-F49 HydrophobicContact CG1-CE1 3.73Å; V41-F49 HydrophobicContact CG1-CG 4.47Å; V41-F49 HydrophobicContact CG1-CZ 4.05Å; V41-F49 HydrophobicContact CG2-CE1 4.41Å; V43-F49 HydrophobicContact CG1-CB 4.17Å; V43-F49 HydrophobicContact CG2-CB 3.64Å; V43-F49 HydrophobicContact CG2-CG 4.32Å; F49-I51 HydrophobicContact CD1-CG2 3.82Å; F49-I51 HydrophobicContact CE1-CG2 3.28Å; F49-I51 HydrophobicContact CZ-CG2 4.06Å; F49-C60 WeakPolarHBondContact O-CA 3.48Å; F49-I61 HydrophobicContact CD1-CD1 4.47Å; F49-I61 PolarHBondContact N-O 3.15Å; F49-I61 PolarHBondContact O-N 2.63Å
50T54.5Low51.8Low73 Ų7385.7 Ų85.745%0.44847%0.474SS..EExtended strand (participates in β ladder)trans-118.8118.6-178.5-53.50000110.4L58 Q59 C60T50-L58 HydrophobicContact CG2-CB 4.37Å; T50-L58 HydrophobicContact CG2-CD2 4.11Å; T50-Q59 WeakPolarHBondContact CA-O 3.49Å; T50-C60 PolarHBondContact OG1-SG 3.12Å; T50-C60 VanDerWaalsContact OG1-SG 3.42Å
51I54.5Low52.3Low32 Ų3282.7 Ų82.716%0.16446%0.458CS..EExtended strand (participates in β ladder)trans-103.9149.9172.560.8174.5000110.7F49 L58 Q59 I61 M69F49-I51 HydrophobicContact CD1-CG2 3.82Å; F49-I51 HydrophobicContact CE1-CG2 3.28Å; F49-I51 HydrophobicContact CZ-CG2 4.06Å; I51-L58 WeakPolarHBondContact O-CA 3.47Å; I51-Q59 HydrophobicContact CG1-CB 4.01Å; I51-Q59 PolarHBondContact N-O 2.89Å; I51-Q59 PolarHBondContact O-N 2.89Å; I51-I61 HydrophobicContact CD1-CD1 4.28Å; I51-I61 HydrophobicContact CG1-CD1 4.47Å; I51-M69 HydrophobicContact CD1-CE 3.73Å; I51-M69 HydrophobicContact CD1-SD 4.31Å; I51-M69 HydrophobicContact CG2-CE 4.34Å; I51-M69 HydrophobicContact CG2-SD 4.29Å
52R48.7Very low52.7Low187 Ų18788.5 Ų88.571%0.70648%0.484SS*.EExtended strand (participates in β ladder)trans-108.5120.1168.8-163.3178.3-169.2-170-0.5109G56 T57 L58R52-G56 PolarHBondContact NE-O 2.85Å; R52-T57 CarbonylContact C-O 3.52Å; R52-T57 VanDerWaalsContact CA-O 3.28Å; R52-T57 WeakPolarHBondContact CA-O 3.17Å; R52-T57 WeakPolarHBondContact CG-O 3.49Å; R52-L58 HydrophobicContact CB-CD2 3.81Å; R52-L58 HydrophobicContact CG-CD2 3.84Å
53A53.1Low53.4Low38 Ų3882.8 Ų82.831%0.31446%0.462SS..  trans-75.416517600000111.2D55 G56 T57A53-D55 WeakPolarHBondContact CB-OD1 3.49Å; A53-D55 PolarHBondContact O-N 3.25Å; A53-G56 WeakPolarHBondContact O-CA 3.33Å; A53-G56 PolarHBondContact O-N 2.88Å; A53-T57 PolarHBondContact N-O 3.5Å
54E41.8Very low53.1Low197 Ų19787.4 Ų87.492%0.92149%0.492SS*.THydrogen-bonded Turntrans-65-21.3-178.9-65.4-169.2137.400113.4G56E54-G56 PolarHBondContact O-N 3.1Å
55D48.8Very low53Low121 Ų12185 Ų8565%0.64748%0.483SS*.THydrogen-bonded Turntrans-74.4-4.5170.370.41.4000113.6A53 T57A53-D55 WeakPolarHBondContact CB-OD1 3.49Å; A53-D55 PolarHBondContact O-N 3.25Å; D55-T57 VanDerWaalsContact OD1-CB 3.29Å; D55-T57 WeakPolarHBondContact OD1-CB 3.31Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.48Å; D55-T57 PolarHBondContact OD1-N 2.69Å; D55-T57 PolarHBondContact OD1-OG1 2.75Å; D55-T57 PolarHBondContact OD2-OG1 2.73Å
56G44.3Very low53.3Low28 Ų2886.3 Ų86.329%0.28948%0.481SS..SBendtrans88.1-4.2179.400000115.1R52 A53 E54R52-G56 PolarHBondContact NE-O 2.85Å; A53-G56 WeakPolarHBondContact O-CA 3.33Å; A53-G56 PolarHBondContact O-N 2.88Å; E54-G56 PolarHBondContact O-N 3.1Å
57T49Very low53.6Low66 Ų6684.3 Ų84.341%0.40545%0.452SS..  trans-69.4152.9176.963.90000112R52 A53 D55R52-T57 CarbonylContact C-O 3.52Å; R52-T57 VanDerWaalsContact CA-O 3.28Å; R52-T57 WeakPolarHBondContact CA-O 3.17Å; R52-T57 WeakPolarHBondContact CG-O 3.49Å; A53-T57 PolarHBondContact N-O 3.5Å; D55-T57 VanDerWaalsContact OD1-CB 3.29Å; D55-T57 WeakPolarHBondContact OD1-CB 3.31Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.48Å; D55-T57 PolarHBondContact OD1-N 2.69Å; D55-T57 PolarHBondContact OD1-OG1 2.75Å; D55-T57 PolarHBondContact OD2-OG1 2.73Å
58L47.3Very low53.5Low121 Ų12184.4 Ų84.463%0.63446%0.46SS*.EExtended strand (participates in β ladder)trans-107.8124.6177.4-67.8168.5000109.5T50 I51 R52T50-L58 HydrophobicContact CG2-CB 4.37Å; T50-L58 HydrophobicContact CG2-CD2 4.11Å; I51-L58 WeakPolarHBondContact O-CA 3.47Å; R52-L58 HydrophobicContact CB-CD2 3.81Å; R52-L58 HydrophobicContact CG-CD2 3.84Å
59Q52.6Low53.6Low111 Ų11184 Ų8452%0.51945%0.453SS..EExtended strand (participates in β ladder)trans-112.7130.2172.9-65.3-173.8-4.100109.4T50 I51T50-Q59 WeakPolarHBondContact CA-O 3.49Å; I51-Q59 HydrophobicContact CG1-CB 4.01Å; I51-Q59 PolarHBondContact N-O 2.89Å; I51-Q59 PolarHBondContact O-N 2.89Å
60C59.4Low53.1Low86 Ų8687.9 Ų87.958%0.58147%0.474SS*.EExtended strand (participates in β ladder)trans-106129.1176.3-63.30000109.7T48 F49 T50T48-C60 HydrophobicContact CG2-CB 4.11Å; F49-C60 WeakPolarHBondContact O-CA 3.48Å; T50-C60 PolarHBondContact OG1-SG 3.12Å; T50-C60 VanDerWaalsContact OG1-SG 3.42Å
61I59.8Low52.8Low28 Ų2885.1 Ų85.114%0.14446%0.458CS..EExtended strand (participates in β ladder)trans-115.1123180-63.2151.9000106.8V43 T48 F49 I51 A65 V67V43-I61 HydrophobicContact CG2-CG2 4.11Å; T48-I61 CarbonylContact C-O 3.59Å; T48-I61 WeakPolarHBondContact CA-O 3.37Å; F49-I61 HydrophobicContact CD1-CD1 4.47Å; F49-I61 PolarHBondContact N-O 3.15Å; F49-I61 PolarHBondContact O-N 2.63Å; I51-I61 HydrophobicContact CD1-CD1 4.28Å; I51-I61 HydrophobicContact CG1-CD1 4.47Å; I61-A65 HydrophobicContact CG2-CB 4.02Å; I61-V67 HydrophobicContact CD1-CB 4.5Å; I61-V67 HydrophobicContact CD1-CG1 4.35Å; I61-V67 HydrophobicContact CD1-CG2 4.07Å; I61-V67 HydrophobicContact CG1-CG2 4.48Å; I61-V67 HydrophobicContact CG2-CG2 3.87Å
62Q60.8Low52.3Low150 Ų15087.9 Ų87.970%0.70148%0.478SS*.EExtended strand (participates in β ladder)trans-98.8137.1176.5-61-168.2-53.800109.9T48T48-Q62 HydrophobicContact CG2-CG 4.14Å
63G64.8Low52.1Low17 Ų1785 Ų8518%0.17548%0.477CS..SBendtrans-84160.4179.300000113.9N44 E47N44-G63 WeakPolarHBondContact O-CA 3.23Å; E47-G63 PolarHBondContact O-N 2.84Å
64P56.7Low52Low105 Ų10584.8 Ų84.868%0.68248%0.478SS*.SBendcis-79.5126.25.729.3-32.4000113.4V43 P45V43-P64 WeakPolarHBondContact O-CA 3.36Å; P45-P64 HydrophobicContact CG-CB 4.08Å; P45-P64 HydrophobicContact CG-CG 4.32Å
65A53.6Low52.4Low30 Ų3078.7 Ų78.725%0.24846%0.457CS..EExtended strand (participates in β ladder)trans-151.7139.717700000111.3V43 I61 V67V43-A65 PolarHBondContact N-O 3.35Å; V43-A65 PolarHBondContact O-N 2.89Å; I61-A65 HydrophobicContact CG2-CB 4.02Å; A65-V67 HydrophobicContact CB-CG2 4.48Å
66E56.8Low52.5Low128 Ų12876 Ų7660%0.59844%0.442SS*.EExtended strand (participates in β ladder)trans-104.4123.6162.2-70.3-173.1172.800108.6V41 Q42V41-E66 WeakPolarHBondContact O-CA 3.2Å; Q42-E66 HydrophobicContact CB-CG 4.45Å; Q42-E66 HydrophobicContact CG-CG 4.24Å
67V55.7Low52.8Low38 Ų3878.3 Ų78.323%0.2345%0.452CS..EExtended strand (participates in β ladder)trans-117.6115.1-179.5-179.30000109.8V41 I61 A65 M69V41-V67 PolarHBondContact N-O 2.78Å; V41-V67 VanDerWaalsContact N-O 3.11Å; V41-V67 PolarHBondContact O-N 3.42Å; I61-V67 HydrophobicContact CD1-CB 4.5Å; I61-V67 HydrophobicContact CD1-CG1 4.35Å; I61-V67 HydrophobicContact CD1-CG2 4.07Å; I61-V67 HydrophobicContact CG1-CG2 4.48Å; I61-V67 HydrophobicContact CG2-CG2 3.87Å; A65-V67 HydrophobicContact CB-CG2 4.48Å; V67-M69 HydrophobicContact CG1-CG 4.29Å
68P51.3Low52.8Low83 Ų8380.7 Ų80.754%0.53947%0.469SS..EExtended strand (participates in β ladder)trans-77.3124.4173.630.4-32.1000110.2V38 L40V38-P68 HydrophobicContact CG1-CB 3.87Å; L40-P68 HydrophobicContact CD2-CB 4.1Å
69M53.9Low53.2Low66 Ų6678.5 Ų78.533%0.32546%0.457SS..EExtended strand (participates in β ladder)trans-116138.5176.8-63.2-170.571.900110.8V38 F39 V41 I51 V67V38-M69 WeakPolarHBondContact CA-O 3.41Å; F39-M69 PolarHBondContact N-O 2.68Å; F39-M69 PolarHBondContact O-N 3Å; V41-M69 HydrophobicContact CG2-SD 4.35Å; I51-M69 HydrophobicContact CD1-CE 3.73Å; I51-M69 HydrophobicContact CD1-SD 4.31Å; I51-M69 HydrophobicContact CG2-CE 4.34Å; I51-M69 HydrophobicContact CG2-SD 4.29Å; V67-M69 HydrophobicContact CG1-CG 4.29Å
70M47.6Very low53Low141 Ų14181.6 Ų81.670%0.69547%0.471SS*.EExtended strand (participates in β ladder)trans-108132.1-179.6-64.5178.1176.900110.3V38V38-M70 HydrophobicContact CG2-CE 4.42Å; V38-M70 HydrophobicContact CG2-CG 4.33Å
71S48.6Very low52.7Low15 Ų1579.7 Ų79.711%0.10546%0.456CS..EExtended strand (participates in β ladder)trans-110.7123.8170.3177.70000110Q37 N73 S75Q37-S71 PolarHBondContact O-N 2.96Å; S71-N73 PolarHBondContact O-N 2.82Å; S71-S75 PolarHBondContact OG-O 2.96Å
72P44.6Very low51.9Low89 Ų8982 Ų8258%0.57847%0.473SS*.THydrogen-bonded Turntrans-72.4-16.6-177.329-34.8000113.7
73N43.8Very low50.9Low127 Ų12781.3 Ų81.368%0.67948%0.482SS*.THydrogen-bonded Turntrans-113.82.8-167.7-62.5-17000114S71 S75S71-N73 PolarHBondContact O-N 2.82Å; N73-S75 PolarHBondContact O-N 3.25Å
74G50.5Low50Low33 Ų3382.4 Ų82.434%0.3449%0.493SS..SBendtrans69.7-5.5-177.100000115.6
75S50.8Low50.1Low69 Ų6982 Ų8248%0.48348%0.478SS..SBendtrans-87.1137170.154.30000111.2S71 N73S71-S75 PolarHBondContact OG-O 2.96Å; N73-S75 PolarHBondContact O-N 3.25Å
76I50.8Low50.4Low65 Ų6584.9 Ų84.933%0.33349%0.489SS..PPolyproline II helixtrans-67.5129.2168.7-55.3175.6000107.9F39 I79 V89F39-I76 HydrophobicContact CE1-CD1 4.42Å; F39-I76 HydrophobicContact CE1-CG1 4.03Å; F39-I76 HydrophobicContact CZ-CG1 4.15Å; I76-I79 HydrophobicContact CG2-CD1 4.1Å; I76-I79 HydrophobicContact CG2-CG1 4.47Å; I76-V89 HydrophobicContact CD1-CG1 4.42Å
77P50.5Low50.6Low76 Ų7681.6 Ų81.649%0.49448%0.48SS..PPolyproline II helixtrans-65.3156.9176.228-35000111.4I79P77-I79 PolarHBondContact O-N 3.46Å
78P49.5Very low50.5Low117 Ų11785.7 Ų85.776%0.7650%0.497SS*.  trans-66.2104-177.626.4-34.2000111.9H80P78-H80 PolarHBondContact O-N 2.82Å
79I54.4Low51Low74 Ų7485.5 Ų85.538%0.37949%0.493SS..  trans-77.4107.9178.8-58.8177.1000109.1I76 P77 V81 V99I76-I79 HydrophobicContact CG2-CD1 4.1Å; I76-I79 HydrophobicContact CG2-CG1 4.47Å; P77-I79 PolarHBondContact O-N 3.46Å; I79-V81 HydrophobicContact CG2-CG2 4.17Å; I79-V81 PolarHBondContact O-N 2.97Å; I79-V99 HydrophobicContact CD1-CB 4.27Å; I79-V99 HydrophobicContact CD1-CG1 3.82Å; I79-V99 HydrophobicContact CD1-CG2 4.04Å
80H50.1Low51.2Low176 Ų17685.8 Ų85.882%0.81550%0.496SS*.  trans-78.496.2172.4-81.9-82.2000110.5P78P78-H80 PolarHBondContact O-N 2.82Å
81V52.4Low51.6Low46 Ų4684 Ų8428%0.27949%0.486SS..PPolyproline II helixtrans-75134.1175.2-1720000110.1I79 Y85 V101I79-V81 HydrophobicContact CG2-CG2 4.17Å; I79-V81 PolarHBondContact O-N 2.97Å; V81-Y85 VanDerWaalsContact CG1-O 3.28Å; V81-Y85 WeakPolarHBondContact CG1-O 3.37Å; V81-V101 HydrophobicContact CG1-CG1 4.13Å
82P42.7Very low51.8Low77 Ų7784.7 Ų84.750%0.549%0.488SS..PPolyproline II helixtrans-62.7153.1175.1-23.634.8000113.2G84 Y85P82-G84 PolarHBondContact O-N 3.25Å; P82-Y85 HydrophobicContact CB-CD2 4.39Å; P82-Y85 PolarHBondContact O-N 2.87Å
83P40.4Very low51.7Low136 Ų13689 Ų8988%0.88351%0.506SS*.THydrogen-bonded Turntrans-56.3130.4172.5-23.233.8000111.6
84G46.1Very low51.6Low39 Ų3988.6 Ų88.640%0.40251%0.509SS..THydrogen-bonded Turntrans88.611.6-176.600000115.2P82 Q104P82-G84 PolarHBondContact O-N 3.25Å; G84-Q104 WeakPolarHBondContact O-CB 3.45Å; G84-Q104 PolarHBondContact O-N 3Å
85Y58.9Low51.3Low97 Ų9789 Ų8938%0.3851%0.513SS..EExtended strand (participates in β ladder)trans-126.7155.6169.2-73.4-106.7000110.4V81 P82 V101 T102 P103V81-Y85 VanDerWaalsContact CG1-O 3.28Å; V81-Y85 WeakPolarHBondContact CG1-O 3.37Å; P82-Y85 HydrophobicContact CB-CD2 4.39Å; P82-Y85 PolarHBondContact O-N 2.87Å; Y85-V101 HydrophobicContact CD1-CG1 4.02Å; Y85-V101 HydrophobicContact CG-CG1 4.42Å; Y85-T102 CarbonylContact C-O 3.54Å; Y85-T102 VanDerWaalsContact CA-O 3.26Å; Y85-T102 WeakPolarHBondContact CA-O 3.42Å; Y85-P103 HydrophobicContact CD1-CB 4.03Å; Y85-P103 HydrophobicContact CE1-CB 3.7Å; Y85-P103 HydrophobicContact CE1-CG 4.31Å
86I58.6Low51.4Low90 Ų9088.7 Ų88.746%0.46251%0.508SS..EExtended strand (participates in β ladder)trans-124.2146.9172.263.3175.6000110.6V101 T102I86-V101 CarbonylContact O-C 3.57Å; I86-V101 WeakPolarHBondContact O-CA 3.45Å; I86-T102 WeakPolarHBondContact CG1-OG1 3.47Å; I86-T102 PolarHBondContact N-O 3.26Å; I86-T102 PolarHBondContact O-N 3.08Å
87S61.3Low51.6Low59 Ų5990.5 Ų90.541%0.41351%0.511SS..EExtended strand (participates in β ladder)trans-110.5130.8175.660.10000111.5V100S87-V100 CarbonylContact C-O 3.56Å; S87-V100 WeakPolarHBondContact CA-O 3.19Å
88Q52.9Low52Low125 Ų12593.4 Ų93.458%0.58451%0.512SS*.EExtended strand (participates in β ladder)trans-116.4133.2173.5-174.6172.7-9.300110.1I90 V100Q88-I90 HydrophobicContact CG-CG1 4.1Å; Q88-V100 PolarHBondContact N-O 3.43Å; Q88-V100 PolarHBondContact O-N 2.83Å
89V63.2Low52.4Low78 Ų7889.5 Ų89.547%0.47349%0.485SS..EExtended strand (participates in β ladder)trans-91.3128169.6-172.30000108.1I76 R97 R98 V99I76-V89 HydrophobicContact CD1-CG1 4.42Å; V89-R97 HydrophobicContact CG1-CB 4.32Å; V89-R98 WeakPolarHBondContact CA-O 3.41Å; V89-V99 HydrophobicContact CG2-CG2 4.35Å
90I57.1Low52.7Low73 Ų7389.1 Ų89.137%0.37449%0.486SS..EExtended strand (participates in β ladder)trans-121.9119.6178.7-54.7179.1000107.2Q88 R98 V100Q88-I90 HydrophobicContact CG-CG1 4.1Å; I90-R98 PolarHBondContact N-O 2.87Å; I90-R98 PolarHBondContact O-N 2.84Å; I90-V100 HydrophobicContact CD1-CG2 3.91Å
91E55.9Low53Low104 Ų10483.5 Ų83.549%0.48646%0.464SS..EExtended strand (participates in β ladder)trans-94.9124.3172-164.5164.9154.800108R97E91-R97 HydrophobicContact CB-CG 4.14Å; E91-R97 HydrophobicContact CG-CG 3.88Å; E91-R97 IonicContact OE1-NH2 2.76Å; E91-R97 IonicContact OE2-CZ 3.04Å; E91-R97 IonicContact OE2-NE 2.88Å; E91-R97 PolarHBondContact OE2-NE 2.78Å; E91-R97 IonicContact OE2-NH2 2.75Å; E91-R97 PolarHBondContact OE2-NH2 2.79Å
92D54.2Low53.1Low28 Ų2884 Ų8415%0.1547%0.468CS..  trans-86.6172.4-178.366.732.3000113.1T94 G95 V96 R98D92-T94 PolarHBondContact O-N 2.92Å; D92-T94 WeakPolarHBondContact OD1-CA 3.36Å; D92-T94 WeakPolarHBondContact OD1-CB 3.39Å; D92-T94 PolarHBondContact OD1-N 2.72Å; D92-T94 PolarHBondContact OD1-OG1 2.93Å; D92-G95 PolarHBondContact O-N 3.46Å; D92-G95 PolarHBondContact OD1-N 2.92Å; D92-V96 PolarHBondContact N-O 2.73Å; D92-V96 PolarHBondContact OD1-N 3.01Å; D92-R98 IonicContact OD2-CZ 3.2Å; D92-R98 IonicContact OD2-NE 2.8Å; D92-R98 PolarHBondContact OD2-NE 2.96Å; D92-R98 IonicContact OD2-NH2 2.73Å; D92-R98 PolarHBondContact OD2-NH2 3.44Å
93N41.8Very low53.5Low179 Ų17984.4 Ų84.496%0.95747%0.47SS*.THydrogen-bonded Turntrans-63.5-3.1-179.1-61.3-6000114
94T41.1Very low53.7Low120 Ų12084 Ų8474%0.73646%0.456SS*.THydrogen-bonded Turntrans-107.74.5172.949.40000113.5D92D92-T94 PolarHBondContact O-N 2.92Å; D92-T94 WeakPolarHBondContact OD1-CA 3.36Å; D92-T94 WeakPolarHBondContact OD1-CB 3.39Å; D92-T94 PolarHBondContact OD1-N 2.72Å; D92-T94 PolarHBondContact OD1-OG1 2.93Å
95G44Very low53.4Low42 Ų4287.3 Ų87.343%0.43347%0.474SS..SBendtrans80.112.3179.800000114.3D92D92-G95 PolarHBondContact O-N 3.46Å; D92-G95 PolarHBondContact OD1-N 2.92Å
96V53.8Low52.8Low62 Ų6288.3 Ų88.338%0.37649%0.492SS..  trans-88.8125.7177.7-176.60000109.3D92D92-V96 PolarHBondContact N-O 2.73Å; D92-V96 PolarHBondContact OD1-N 3.01Å
97R53.8Low51.6Low103 Ų10393.1 Ų93.139%0.38951%0.513SS..EExtended strand (participates in β ladder)trans-87.9121.2177.1-71.5179.5174.7154.29.8110.5F39 V89 E91F39-R97 HydrophobicContact CD1-CB 4.37Å; F39-R97 HydrophobicContact CE1-CB 4.04Å; V89-R97 HydrophobicContact CG1-CB 4.32Å; E91-R97 HydrophobicContact CB-CG 4.14Å; E91-R97 HydrophobicContact CG-CG 3.88Å; E91-R97 IonicContact OE1-NH2 2.76Å; E91-R97 IonicContact OE2-CZ 3.04Å; E91-R97 IonicContact OE2-NE 2.88Å; E91-R97 PolarHBondContact OE2-NE 2.78Å; E91-R97 IonicContact OE2-NH2 2.75Å; E91-R97 PolarHBondContact OE2-NH2 2.79Å
98R59.9Low50Low137 Ų13795.1 Ų95.152%0.51753%0.526SS..EExtended strand (participates in β ladder)trans-109143.8177.4-50179.5-171.6-156.4-0.3108.3V89 I90 D92V89-R98 WeakPolarHBondContact CA-O 3.41Å; I90-R98 PolarHBondContact N-O 2.87Å; I90-R98 PolarHBondContact O-N 2.84Å; D92-R98 IonicContact OD2-CZ 3.2Å; D92-R98 IonicContact OD2-NE 2.8Å; D92-R98 PolarHBondContact OD2-NE 2.96Å; D92-R98 IonicContact OD2-NH2 2.73Å; D92-R98 PolarHBondContact OD2-NH2 3.44Å
99V58.6Low48.7Very low34 Ų34100.2 Ų100.221%0.20654%0.541CS..EExtended strand (participates in β ladder)trans-114.5119.7172.9-172.70000108.6I79 V89I79-V99 HydrophobicContact CD1-CB 4.27Å; I79-V99 HydrophobicContact CD1-CG1 3.82Å; I79-V99 HydrophobicContact CD1-CG2 4.04Å; V89-V99 HydrophobicContact CG2-CG2 4.35Å
100V60.3Low47.3Very low66 Ų66101.7 Ų101.740%0.455%0.552SS.*EExtended strand (participates in β ladder)trans-107.8131.6177.2-172.20000108S87 Q88 I90 T102S87-V100 CarbonylContact C-O 3.56Å; S87-V100 WeakPolarHBondContact CA-O 3.19Å; Q88-V100 PolarHBondContact N-O 3.43Å; Q88-V100 PolarHBondContact O-N 2.83Å; I90-V100 HydrophobicContact CD1-CG2 3.91Å; V100-T102 HydrophobicContact CG1-CG2 4.08Å
101V56.1Low46.2Very low58 Ų58104.5 Ų104.535%0.35258%0.576SS.*EExtended strand (participates in β ladder)trans-111.1130.5175.9-1760000107.9V81 Y85 I86V81-V101 HydrophobicContact CG1-CG1 4.13Å; Y85-V101 HydrophobicContact CD1-CG1 4.02Å; Y85-V101 HydrophobicContact CG-CG1 4.42Å; I86-V101 CarbonylContact O-C 3.57Å; I86-V101 WeakPolarHBondContact O-CA 3.45Å
102T55.1Low45.1Very low57 Ų57104.8 Ų104.835%0.3559%0.589SS.*EExtended strand (participates in β ladder)trans-131.9142.8-174.952.40000111.2Y85 I86 V100Y85-T102 CarbonylContact C-O 3.54Å; Y85-T102 VanDerWaalsContact CA-O 3.26Å; Y85-T102 WeakPolarHBondContact CA-O 3.42Å; I86-T102 WeakPolarHBondContact CG1-OG1 3.47Å; I86-T102 PolarHBondContact N-O 3.26Å; I86-T102 PolarHBondContact O-N 3.08Å; V100-T102 HydrophobicContact CG1-CG2 4.08Å
103P49.7Very low44.1Very low86 Ų86114.1 Ų114.156%0.55862%0.624SS**EExtended strand (participates in β ladder)trans-69.5141.517628.1-33.7000111Y85 S105Y85-P103 HydrophobicContact CD1-CB 4.03Å; Y85-P103 HydrophobicContact CE1-CB 3.7Å; Y85-P103 HydrophobicContact CE1-CG 4.31Å; P103-S105 PolarHBondContact O-N 2.92Å
104Q44.9Very low44Very low126 Ų126111.5 Ų111.559%0.58962%0.616SS**  trans-90.198.8-178.9-16817525.400109.8G84G84-Q104 WeakPolarHBondContact O-CB 3.45Å; G84-Q104 PolarHBondContact O-N 3Å
105S39.7Very low43.5Very low110 Ų110111 Ų11177%0.76962%0.617SS**  trans-70.7139-179.247.10000112.7P103P103-S105 PolarHBondContact O-N 2.92Å
106P46Very low42.9Very low118 Ų118113.5 Ų113.577%0.76663%0.634SS**  trans-94.4126.3174.934.2-30.4000111.9
107E33.9Very low41.9Very low191 Ų191118.3 Ų118.389%0.89366%0.656SS**  trans167152.5156.7-101.2-178.9-142.200109
108C27.8Very low40.6Very low101 Ų101118.5 Ų118.568%0.68267%0.673SS**  cis-158.4151.3-18.2-149.40000110
109Y25Very low40Very low231 Ų231117 Ų11791%0.90668%0.681SS**  trans-154.1158.7160.1-93-58.6000108.2
110P34.3Very low38.7Very low109 Ų109120.9 Ų120.971%0.70871%0.705SS**  -100.2158.2-125.537.2-35.5000114.5
111P35Very low37.3Very low133 Ų133124.5 Ų124.586%0.86472%0.717SS**  trans-79138.517932.2-34.7000112.7
112S31.9Very low36.1Very low109 Ų109129 Ų12976%0.76273%0.734SS**  trans-110149159.256.90000110.2
113Y34.2Very low35Very low225 Ų225133.1 Ų133.188%0.88275%0.753SS**  trans-49.5151.2-178.8-71.1-92.5000114.6
114P39.2Very low35Very low123 Ų123134.1 Ų134.180%0.79976%0.76SS**  -126.2164.4128.437.2-31.2000112.8
115S29.7Very low35.8Very low109 Ų109132.7 Ų132.776%0.76276%0.761SS**  trans-127141.8172.4-72.60000111.5
116A32.1Very low35.5Very low95 Ų95137.2 Ų137.279%0.78576%0.763SS**  trans78.8156150.200000121.7
117I32.4Very low34.8Very low164 Ų164138.2 Ų138.284%0.84176%0.761SS**  trans88.9121.2163.1-47.2-171.5000117.6
118S27.4Very low34.7Very low107 Ų107132.8 Ų132.875%0.74875%0.749SS**  trans-94.2-169-177.8-26.70000110.7
119P46.8Very low34.9Very low104 Ų104136.7 Ų136.768%0.67576%0.757SS**  cis-153.2177.841.545.4-23.6000119.7
120T31.7Very low35.1Very low117 Ų117133.7 Ų133.772%0.71875%0.751SS**  trans69.5152.316268.30000118.6
121H30.8Very low36.1Very low142 Ų142132.6 Ų132.666%0.65774%0.744SS**  cis-145.5142.25.6-109.1-68.6000111.2
122H31.3Very low35.9Very low152 Ų152134.1 Ų134.170%0.70474%0.739SS**  trans55150.7147.3-62.1-33.3000122.8
123L31.5Very low35.9Very low144 Ų144137.2 Ų137.275%0.75474%0.739SS**  cis-164.5-176-25.6-111.3179.7000107.9
124P49.7Very low35.8Very low107 Ų107132.4 Ų132.470%0.69573%0.727SS**  trans-118.5-145.8-14340.4-17.6000112.3
125P61.8Low35.4Very low95 Ų95134.2 Ų134.262%0.61772%0.724SS**  cis-146.7-1736.427.91.3000120.6
126Y32.7Very low35.3Very low206 Ų206135.4 Ų135.481%0.80872%0.722SS**  trans88.4144.7159.3-66.7-60.5000118.9
127L31.4Very low35.5Very low139 Ų139135.3 Ų135.373%0.72872%0.716SS**  cis-158.7154.8-0.5-141.8151.9000111.8
128A31.8Very low35.5Very low76 Ų76135.9 Ų135.963%0.62872%0.715SS**  trans64.4156.115500000120.4
129H31.4Very low35.6Very low183 Ų183136.6 Ų136.685%0.84772%0.715SS**  cis-150.7160.7-9.9-116.6-59.4000110.5
130H29.4Very low34.9Very low169 Ų169135.7 Ų135.778%0.78272%0.716SS**  trans-140.1158.6176.6-123.4-48.8000109.7
131P55.4Low34.8Very low86 Ų86138.7 Ų138.756%0.55872%0.72SS**  -140.4-152.492.544.1-30.9000110.7
132H31.3Very low34.8Very low164 Ų164141.7 Ų141.776%0.75973%0.726SS**  cis-131.8161-12.8-94.7-57.3000106.5
133F31.2Very low36.1Very low174 Ų174139.8 Ų139.876%0.76373%0.728SS**  cis81.3135.737.6-81.5-94.4000117.3
134I31.9Very low37.1Very low125 Ų125138.4 Ų138.464%0.64173%0.727SS**  cis179.1155-41.8-104.9163.6000110.1
135H31.3Very low36.2Very low160 Ų160139.4 Ų139.474%0.74173%0.731SS**  trans127.5148.8156.9-81.2-36.6000114.6
136N28.2Very low34.8Very low135 Ų135141 Ų14172%0.72274%0.739SS**  cis-152.7178.2-9.9-129.7-6.6000111.5
137S36.5Very low34.8Very low93 Ų93134.4 Ų134.465%0.6573%0.734SS**  trans-126.6149172.960.50000112.4
138H31.8Very low35.5Very low176 Ų176134.5 Ų134.582%0.81574%0.743SS**  trans-172.2112.7150.7-105-64.5000116.2
139T30.5Very low35.5Very low121 Ų121134 Ų13474%0.74275%0.745SS**  trans25.6116.1138.751.30000125
140A30.7Very low35.7Very low86 Ų86133 Ų13371%0.71175%0.746SS**  67.5130.6121.500000125.1
141F30.3Very low35.7Very low180 Ų180133.6 Ų133.679%0.78975%0.751SS**  -178.4143.3115.5-104.9-63.8000116.5
142Y31Very low35.8Very low204 Ų204134.5 Ų134.580%0.876%0.757SS**  trans61.7141.6162.2-76.3-72.9000124.1
143P57.8Low36.5Very low113 Ų113131.9 Ų131.973%0.73476%0.755SS**  trans-112.1-154.8172.449.6-37000110.4
144P52.1Low36.5Very low114 Ų114131.6 Ų131.674%0.7476%0.756SS**  cis-113.8-177.519.243.4-27.9000113.8
145V31.8Very low36.5Very low129 Ų129134.5 Ų134.578%0.78276%0.764SS**  -157.9141.479161.60000112.2
146T33.2Very low36.6Very low128 Ų128136 Ų13679%0.78577%0.768SS**  trans-8.3131.1170.7580000122.7
147G32.7Very low37.6Very low67 Ų67134.5 Ų134.569%0.69177%0.767SS**  trans-93.6-153.413700000110.9
148P46.3Very low37.4Very low142 Ų142137.7 Ų137.792%0.92277%0.771SS**  cis-109.7-1381.445.1-33000109.9
149G30.3Very low37.5Very low64 Ų64134.8 Ų134.866%0.6676%0.758SS**  cis170.4175.22.300000113.3
150D35.1Very low37.5Very low164 Ų164136.6 Ų136.688%0.87776%0.757SS**  trans-73.1154.1179.5-54-86.1000115
151M30.1Very low37.5Very low180 Ų180138.6 Ų138.689%0.88776%0.755SS**  trans175.4159.7135.8-89.8-101-84.800113.2
152P57.7Low38.6Very low105 Ų105135.3 Ų135.368%0.68275%0.752SS**  trans-89.5-168.4177.541.9-38.9000111.4
153P47Very low39.4Very low110 Ų110130.8 Ų130.871%0.71475%0.748SS**  cis-142.9-173.9845.2-25.5000117.5
154Q31.1Very low38.2Very low168 Ų168131.1 Ų131.179%0.78575%0.748SS**  trans44.3126.8144.5-81.2-172.23.500124.2
155F30.2Very low37.2Very low186 Ų186132.6 Ų132.682%0.81675%0.748SS**  trans78.1146.9147.3-85-84.2000122.6
156F35Very low37.2Very low190 Ų190137.1 Ų137.183%0.83375%0.752SS**  trans-63.2166.3-178.9-82.6-76.1000115.2
157P48.6Very low36.9Very low105 Ų105134.6 Ų134.668%0.68275%0.752SS**  cis-157.9168.847.644.4-22.7000122.4
158Q32Very low37Very low159 Ų159140.7 Ų140.774%0.74376%0.763SS**  trans58.3154.8142.2-74.7171.7-1000121
159H33.4Very low36.4Very low116 Ų116142.5 Ų142.554%0.53776%0.759SS.*  cis-154.4-1741.6-130.5-18.3000109.2L161H159-L161 VanDerWaalsContact CE1-CD1 3.45Å; H159-L161 WeakPolarHBondContact CE1-CD1 3.03Å
160H30.9Very low36.5Very low159 Ų159147.7 Ų147.774%0.73677%0.766SS**  cis-133.1-174.69.2-73.2-75.1000108.8
161L30.2Very low36.1Very low128 Ų128147.2 Ų147.267%0.6776%0.762SS**  cis76.5149.816.6-55.8179.8000117.3H159H159-L161 VanDerWaalsContact CE1-CD1 3.45Å; H159-L161 WeakPolarHBondContact CE1-CD1 3.03Å
162P54.5Low36.1Very low111 Ų111146 Ų14672%0.72176%0.757SS**  cis-130.3-154.5-25.442-23.6000111.2
163P47.4Very low35.8Very low108 Ų108146 Ų14670%0.70176%0.757SS**  cis-119162.6-1836.4-18.7000113.9
164T32.4Very low34.8Very low120 Ų120148.1 Ų148.174%0.73676%0.762SS**  69.4120.862.3-21.80000113.9
165I31.3Very low34.9Very low145 Ų145150.8 Ų150.874%0.74477%0.766SS**  -179.6150.187.3-92.8178.2000113.5
166Y31.6Very low34.8Very low224 Ų224144.9 Ų144.988%0.87876%0.758SS**  trans11.2153.6156.2-71.9-108.2000125.6
167G27.7Very low34.5Very low76 Ų76144.5 Ų144.578%0.78476%0.761SS**  trans-179.8132.4151.400000114.2
168E33.3Very low33.7Very low195 Ų195144 Ų14491%0.91176%0.76SS**  trans-108.6-173.4-179.5-73.9-173.2128.100113.8
169Q35.2Very low33.6Very low180 Ų180141.1 Ų141.184%0.84176%0.757SS**  trans-83.7158.5-159.3-56.8173-93.500117.3
170E32Very low33.5Very low172 Ų172145.4 Ų145.480%0.80477%0.77SS**  121.2161.8125.3-147.1169.1-112.100118.7
171I27Very low33.4Very low155 Ų155145.2 Ų145.280%0.79577%0.773SS**  trans96.5135.1170.1-54.3177.4000116.6
172I30.4Very low33.5Very low153 Ų153144.2 Ų144.279%0.78577%0.773SS**  trans-148.7131.9-160.8-68.9153.6000109.8
173P51Low32.5Very low106 Ų106148.6 Ų148.669%0.68878%0.775SS**  -158.6-179.7124.339-19.1000117.6
174L25.9Very low31.8Very low155 Ų155150 Ų15081%0.81277%0.772SS**  trans85144.7159-57.6163.4000120.6
175Y32.9Very low31.7Very low223 Ų223150 Ų15088%0.87577%0.767SS**  cis-170.8153.8-40.9-138.3-93.2000112.1
176G28.6Very low31.7Very low62 Ų62149.2 Ų149.264%0.63976%0.761SS**  trans102.8153.616400000116.5
177M29.1Very low31.9Very low182 Ų182148.3 Ų148.390%0.89776%0.757SS**  cis-160145.14.3-106.4-75.2-119.600112.4
178S31.2Very low32Very low95 Ų95148.4 Ų148.466%0.66475%0.745SS**  trans40.8155157-123.30000122.2
179S29.2Very low32Very low98 Ų98148 Ų14869%0.68574%0.741SS**  cis-151.4147.210.4500000110
180Y31.9Very low32.5Very low206 Ų206144.3 Ų144.381%0.80873%0.732SS**  59.1138.770-51.2-58.5000114.9
181I29.3Very low32.5Very low156 Ų156143.6 Ų143.680%0.873%0.729SS**  cis-139.2-128.99.7-162.2159.1000115.1
182T32.3Very low32.8Very low107 Ų107143.1 Ų143.166%0.65672%0.723SS**  trans-157.1170.3-159.158.30000116.7
183R33.3Very low32.9Very low202 Ų202142.9 Ų142.976%0.76272%0.716SS**  trans86.6153158-66.1-178161-126.8-1.7118
184E31.8Very low32.2Very low137 Ų137146.3 Ų146.364%0.6472%0.72SS**  cis-172.7168.1-12.1-103.1165.417500107.3
185D30.1Very low32.4Very low120 Ų120145.3 Ų145.364%0.64272%0.715SS**  cis-167.8170.5-16.5-17726.2000108.9
186Q31.1Very low32.4Very low130 Ų130142.1 Ų142.161%0.60771%0.706SS**  trans68.6148.9165.5-77.5160.663.400117.5
187Y37.1Very low32.6Very low205 Ų205144.7 Ų144.780%0.80471%0.705SS**  cis-161.7173.18.8-124-22.5000109.1
188S29.3Very low32.9Very low77 Ų77147 Ų14754%0.53870%0.703SS.*  cis-163.2172.8-473.10000112.3
189K34.1Very low32.9Very low188 Ų188149.6 Ų149.682%0.81771%0.705SS**  trans80145.5150.3-80.7178.2-179.6177.10120.2
190P44.6Very low33.1Very low101 Ų101151.5 Ų151.566%0.65671%0.706SS**  -153.1-169.1-112.746.9-26.6000118.7
191Q32.4Very low33.1Very low157 Ų157147.8 Ų147.873%0.73470%0.7SS**  trans77.2115.2152.7-75-169.427.300117.6
192H33.1Very low33.3Very low145 Ų145150.3 Ų150.367%0.67170%0.7SS**  94.514774-82.2-176.3000111.9
193K33.8Very low33.3Very low148 Ų148153.4 Ų153.464%0.64371%0.707SS**  cis-156.6145.5-4.8-112.9-179.7179.6176.20106.6
194K34.4Very low33.1Very low179 Ų179150.2 Ų150.278%0.77871%0.705SS**  53.4140.290.8-78.1-172.8-176.2-177.60114.3
195L32Very low33Very low134 Ų134153.8 Ų153.870%0.70271%0.713SS**  cis-163.8145.333.9-107.1134.3000114.2
196K32.8Very low33.1Very low156 Ų156154.6 Ų154.668%0.67872%0.716SS**  trans50.6132132.5-85.7-171167.1-72.30126.2
197D32.8Very low32.9Very low116 Ų116155.8 Ų155.862%0.6273%0.727SS**  71.8148.3122.8-61.1-0000125.4
198R33.5Very low32.6Very low229 Ų229151.4 Ų151.486%0.86473%0.726SS**  trans73.1157.6161.5-73.3-180169.3179.5-3.5118.2
199Q32.3Very low33.9Very low150 Ų150153.5 Ų153.570%0.70174%0.738SS**  cis-177.8143-43.9-121.9-170.8-29.600108.4
200I32.9Very low34.4Very low139 Ų139150.3 Ų150.371%0.71374%0.736SS**  trans71.7119.3144.4-71.6172000120.9
201D33.1Very low33.8Very low127 Ų127150.6 Ų150.668%0.67974%0.741SS**  trans86.1149.4142.7-124.33.8000126.2
202R32Very low33.8Very low210 Ų210147.8 Ų147.879%0.79274%0.739SS**  trans64.779.1151.2-75.2162.2-163-133.6-3.7122.8
203Q32.1Very low33.9Very low171 Ų171148 Ų14880%0.79974%0.743SS**  20.6110.9104.5-168175.517.200119.3
204N30.1Very low33.7Very low136 Ų136149.9 Ų149.973%0.72775%0.748SS**  170150.4118.6-101.1-56.3000117.7
205R29.9Very low33.5Very low212 Ų212149.3 Ų149.380%0.875%0.745SS**  trans72.7117.3151.5-72.6175.2-174.7-126.90.9122.8
206L30.8Very low33.4Very low136 Ų136148.7 Ų148.771%0.71275%0.752SS**  54.2109.7124.8-62.5165.7000120.5
207N28.5Very low33.1Very low156 Ų156149.2 Ų149.283%0.83476%0.756SS**  179.6167.895.9-94.6-29.2000114.1
208S29.6Very low33Very low113 Ų113150.7 Ų150.779%0.7976%0.763SS**  trans-89.9175.2-174.1-50.50000113
209P56.3Low32.8Very low120 Ų120143.1 Ų143.178%0.77976%0.756SS**  trans-90.5-175.2-152.339.8-40.5000115.3
210P44.8Very low32.6Very low121 Ų121141.6 Ų141.679%0.78676%0.762SS**  -146.3170.5103.640-25000118
211S32.5Very low32.5Very low107 Ų107141.3 Ų141.375%0.74877%0.77SS**  trans-32.7153.8170.857.70000122
212S33.4Very low32.3Very low99 Ų99141.4 Ų141.469%0.69278%0.776SS**  -178.1121.2102.5620000118.3
213I33.8Very low32.2Very low150 Ų150138.2 Ų138.277%0.76978%0.78SS**  54.7122.8126.4-51.6165.8000121.7
214Y30.3Very low32Very low187 Ų187135.9 Ų135.973%0.73378%0.777SS**  -168.4133.6119-124.3-114.6000114.3
215K29.6Very low31.9Very low166 Ų166138.9 Ų138.972%0.72278%0.78SS**  trans21.3152.8153.5-56-176.7-172.5177.80121.6
216S30.1Very low32Very low121 Ų121135.3 Ų135.385%0.84678%0.776SS**  cis-153.5-178.418.1360000114.4
217H27.6Very low31.9Very low167 Ų167132 Ų13277%0.77378%0.775SS**  trans-86.2147.3-170.8-83.8-4.2000116.2
218I30.5Very low31.9Very low148 Ų148135.6 Ų135.676%0.75978%0.779SS**  57.5133.789.4-46.4169000113.8
219G29.7Very low32Very low69 Ų69134.9 Ų134.971%0.71178%0.779SS**  cis128.7149.11.500000113.3
220S27.6Very low30.7Very low119 Ų119139 Ų13983%0.83279%0.785SS**  trans-162.3137.1176.758.50000115.2
221C30.2Very low29.9Very low132 Ų132138.2 Ų138.289%0.89278%0.782SS**  trans-105.1164.2161.1-62.60000110.4
222T28.1Very low29.6Very low129 Ų129140.7 Ų140.779%0.79178%0.782SS**  trans-135.9121.6171.8-30.40000112
223T30.1Very low29.5Very low144 Ų144142.9 Ų142.988%0.88379%0.786SS**  trans-146159.2158.6-53.30000107.3
224V29.4Very low29.2Very low122 Ų122139.2 Ų139.274%0.73979%0.785SS**  trans-96.2133.2-143.9178.60000114.4
225Y26.7Very low29.2Very low198 Ų198135.7 Ų135.778%0.77680%0.795SS**  trans79.3107.4158.4-89.9-138.7000122.1
226N32Very low29.1Very low137 Ų137133 Ų13373%0.73380%0.796SS**  51.7131.1115.3-59.2-23.8000121.1
227G28.3Very low29.1Very low66 Ų66133.3 Ų133.368%0.6880%0.799SS**  cis168.5-166.2-1.900000115.7
228Y29.9Very low29.2Very low233 Ų233129 Ų12991%0.91480%0.799SS**  trans76.390.4173.5-76.2-81.5000121
229A30.6Very low29.2Very low97 Ų97126 Ų12680%0.80280%0.804SS**  74.6130124.800000122.1
230K29.5Very low29.2Very low208 Ų208126.5 Ų126.590%0.90481%0.81SS**  trans-86.1159.3163.8-62.4175.7176.7176.50111.1
231S27.5Very low29.4Very low104 Ų104125.2 Ų125.273%0.72782%0.816SS**  -151.4142.6120.794.40000112.4
232H27.7Very low29.4Very low158 Ų158122.9 Ų122.973%0.73181%0.814SS**  trans61.4133.4163.3-75.3-69.2000123.9
233N29.3Very low29.5Very low146 Ų146121 Ų12178%0.78182%0.82SS**  trans46122.3139.7-50.30.9000118.5
234G28Very low29.5Very low73 Ų73118.1 Ų118.175%0.75382%0.819SS**  cis122.7167.439.100000110
235A30.2Very low29.5Very low113 Ų113116.5 Ų116.593%0.93483%0.827SS**  trans68.7126.1175.800000118.6
236S27.9Very low29.7Very low109 Ų109111 Ų11176%0.76283%0.831SS**  trans-110.9175.216356.50000109.7
237S30.1Very low29.6Very low128 Ų128108.7 Ų108.790%0.89583%0.831SS**  trans70.2148.2-178.379.10000116.3
238G30.3Very low30.8Very low75 Ų75111.4 Ų111.477%0.77384%0.836SS**  cis163.8141.6-12.900000115
239G29.8Very low30.9Very low85 Ų85104 Ų10488%0.87683%0.83SS**  trans79.5162.4161.100000118.4
240G30.4Very low30.9Very low81 Ų81104.4 Ų104.484%0.83582%0.823SS**  trans99.185.1157.400000117.2
241G30.6Very low30.8Very low92 Ų92103.6 Ų103.695%0.94882%0.819SS**  trans-70.2-174.5178.800000117.3
242G30.6Very low30.8Very low83 Ų83107.4 Ų107.486%0.85682%0.823SS**  trans149.9111.1177.200000111.3
243G29.9Very low31.5Very low89 Ų89104.8 Ų104.892%0.91882%0.819SS**  trans-81.5155.6-171.900000115.1
244G31.1Very low31.4Very low84 Ų84104.3 Ų104.387%0.86681%0.813SS**  trans180114.4171.400000110.3
245G30.1Very low31.4Very low87 Ų87110.4 Ų110.490%0.89781%0.813SS**  trans-95.2169.9-17600000113.8
246G30.1Very low31.8Very low84 Ų84114.9 Ų114.987%0.86681%0.806SS**  trans135.344164.900000118.7
247A30.1Very low31.8Very low88 Ų88114.7 Ų114.773%0.72781%0.81SS**  trans-79.3179.2168.500000112
248P53.7Low32.2Very low123 Ų123118.8 Ų118.880%0.79981%0.806SS**  cis-130.9-179.3-18.535.3-17.1000113.7V250P248-V250 HydrophobicContact CB-CG2 4.27Å
249G31.2Very low32.1Very low76 Ų76121.1 Ų121.178%0.78481%0.811SS**  trans157.1102.2160.500000114.1
250V31.5Very low32.3Very low106 Ų106121.9 Ų121.964%0.64280%0.803SS**  cis114.9109.313174.20000112P248P248-V250 HydrophobicContact CB-CG2 4.27Å
251K27.7Very low32.8Very low192 Ų192124.2 Ų124.284%0.83580%0.803SS**  trans68.9153.4168.5-62.2162.9-169.5171.50114.3
252K25.8Very low32.9Very low184 Ų184129.7 Ų129.780%0.880%0.801SS**  cis-169.5-179-7.4-114.2-172.7175.2-172.30106.1
253P44.1Very low33Very low102 Ų102131.2 Ų131.266%0.66280%0.798SS**  cis-130.5-163.5-44.934.1-13.2000112.2
254E26Very low33.1Very low137 Ų137134.7 Ų134.764%0.6480%0.796SS**  trans76.4130.2152.4-70.9-143.5132.400123.4
255R28.1Very low33.3Very low200 Ų200139.9 Ų139.976%0.75580%0.797SS**  trans56.5148.3132.9-64.5-176.4-165.1-163.412.3121
256R39.4Very low33.5Very low208 Ų208144.7 Ų144.779%0.78580%0.797SS**  cis-174.1130-17.9178-170.9-155.1-172.59.9106
257A28.3Very low34Very low104 Ų104148.3 Ų148.386%0.8680%0.796SS**  trans-134.5122.7173.300000111.2
258R37.2Very low34.7Very low215 Ų215149 Ų14981%0.81179%0.794SS**  trans-100.1146.8158.8-80.2-178.3169.8178-4.6107.5
259S29.1Very low34.7Very low123 Ų123152.4 Ų152.486%0.8680%0.798SS**  trans-105.7122.815952.60000109.1
260S33.1Very low35.5Very low102 Ų102157.7 Ų157.771%0.71380%0.803SS**  trans-107142.7170.3-55.50000109.6
261P40.6Very low36.6Very low129 Ų129161.6 Ų161.684%0.83881%0.807SS**  trans-73.1163.9160.6-11.228.4000111.4
262K34.2Very low38.3Very low208 Ų208158.8 Ų158.890%0.90480%0.801SS**  trans-103.2166.5174.1-63.5-176.1177.1-173.50111.6
263S31.1Very low40.2Very low115 Ų115154.9 Ų154.980%0.80480%0.797SS**  trans-125.4156.4156.7520000109.4
264N33.1Very low41.3Very low161 Ų161157.2 Ų157.286%0.86180%0.799SS**  trans-85.2157.2-172.7-70.20.8000113.8
265E35.8Very low43.4Very low193 Ų193153.1 Ų153.190%0.90278%0.783SS**  trans-106.4178.7156.8-68.8177.7122.800109.6
266Q33.6Very low45.7Very low189 Ų189150 Ų15088%0.88378%0.775SS**  trans-111.6158.8-175.6-63.4178.2-82.300112.2
267D39.5Very low47.4Very low159 Ų159148.9 Ų148.985%0.8577%0.771SS**  trans-66131.9-164-67.1-69.5000116.6
268P45.8Very low49.5Very low104 Ų104145.1 Ų145.168%0.67574%0.737SS**  trans-116.2129.416636.2-23.8000112.5
269H53.7Low51.4Low194 Ų194139.1 Ų139.190%0.89872%0.719SS**SBendtrans-110.610.2-178.2-106.9-55.8000116
270E49Very low53.7Low187 Ų187138.8 Ų138.887%0.87471%0.707SS**SBendtrans-117.10.6-172.4-155.8164.1-150.700114.5
271Y54.6Low55.7Low188 Ų188136.7 Ų136.774%0.73769%0.687SS**SBendtrans-97.8-22.1-167.8-154.2-94.8000116S273Y271-S273 PolarHBondContact O-N 2.97Å
272D62.8Low57.5Low133 Ų133130.7 Ų130.771%0.71165%0.648SS**Hα-helixtrans-75-21.7-162.1-16953.8000115.3
273S65.4Low59.7Low101 Ų101122.7 Ų122.771%0.70662%0.619SS**Hα-helixtrans-77.4-34.2-171580000114.3Y271Y271-S273 PolarHBondContact O-N 2.97Å
274E66.6Low61.8Low151 Ų151118.9 Ų118.971%0.70660%0.597SS**Hα-helixtrans-83.6-38-174-168.4162.6-128.200112.4K276 R277 V278E274-K276 PolarHBondContact O-N 3.11Å; E274-R277 PolarHBondContact O-N 3.23Å; E274-V278 PolarHBondContact O-N 2.88Å
275T71.2Confident64.1Low51 Ų51112 Ų11231%0.31356%0.56SS.*Hα-helixtrans-57.1-39.2178.3-43.80000112.1R277 V278 Q279 V370T275-R277 PolarHBondContact O-N 3.16Å; T275-V278 PolarHBondContact O-N 2.79Å; T275-Q279 PolarHBondContact O-N 3.05Å; T275-Q279 VanDerWaalsContact O-N 3.13Å; T275-V370 HydrophobicContact CG2-CG1 4.45Å; T275-V370 HydrophobicContact CG2-CG2 3.72Å
276K75.5Confident66.2Low135 Ų135108.8 Ų108.859%0.58755%0.545SS*.Hα-helixtrans-64.8-40.3-177.9-162168.4-171.81690112.8E274 V278 Q279 D280E274-K276 PolarHBondContact O-N 3.11Å; K276-V278 VanDerWaalsContact C-N 3.3Å; K276-V278 PolarHBondContact O-N 2.74Å; K276-Q279 PolarHBondContact O-N 2.9Å; K276-Q279 VanDerWaalsContact O-N 3.16Å; K276-D280 PolarHBondContact O-N 2.83Å; K276-D280 VanDerWaalsContact O-N 3.15Å
277R74.7Confident68.5Low184 Ų184105.6 Ų105.669%0.69453%0.528SS*.Hα-helixtrans-62.1-37.1176.4-175.2-178.7178-161.8-1.7112.2E274 T275 I281E274-R277 PolarHBondContact O-N 3.23Å; T275-R277 PolarHBondContact O-N 3.16Å; R277-I281 WeakPolarHBondContact O-CG1 3.42Å
278V72.8Confident70.7Confident25 Ų2598 Ų9815%0.15249%0.488CS..Hα-helixtrans-68.7-40.3175.4-1790000110.7E274 T275 K276 D280 I281 L282 L318 Y367 V370E274-V278 PolarHBondContact O-N 2.88Å; T275-V278 PolarHBondContact O-N 2.79Å; K276-V278 VanDerWaalsContact C-N 3.3Å; K276-V278 PolarHBondContact O-N 2.74Å; V278-D280 PolarHBondContact O-N 3.25Å; V278-I281 PolarHBondContact O-N 2.85Å; V278-L282 HydrophobicContact CG1-CD1 4.08Å; V278-L282 HydrophobicContact CG1-CG 4.49Å; V278-L282 WeakPolarHBondContact O-CG 3.48Å; V278-L282 PolarHBondContact O-N 3.21Å; V278-L318 HydrophobicContact CG1-CD1 4.37Å; V278-L318 HydrophobicContact CG2-CD1 3.85Å; V278-Y367 HydrophobicContact CG1-CD1 4.17Å; V278-V370 HydrophobicContact CB-CG1 4.43Å; V278-V370 HydrophobicContact CG1-CB 4.15Å; V278-V370 HydrophobicContact CG1-CG1 4.26Å; V278-V370 HydrophobicContact CG1-CG2 4.33Å
279Q77.7Confident72.6Confident90 Ų9098.2 Ų98.242%0.42148%0.479SS..Hα-helixtrans-63.9-39.9-179.3-170.1164.438.100113.3T275 K276 L282 S283 V370 K371T275-Q279 PolarHBondContact O-N 3.05Å; T275-Q279 VanDerWaalsContact O-N 3.13Å; K276-Q279 PolarHBondContact O-N 2.9Å; K276-Q279 VanDerWaalsContact O-N 3.16Å; Q279-L282 PolarHBondContact O-N 2.88Å; Q279-S283 PolarHBondContact O-N 2.88Å; Q279-S283 PolarHBondContact O-OG 2.04Å; Q279-V370 HydrophobicContact CB-CG1 3.69Å; Q279-V370 HydrophobicContact CG-CG1 4.23Å; Q279-K371 PolarHBondContact NE2-O 2.78Å
280D76.9Confident74.1Confident116 Ų11690.3 Ų90.362%0.6245%0.445SS*.Hα-helixtrans-63.8-41.6177-71.1-26.6000111.6K276 V278 L282 S283K276-D280 PolarHBondContact O-N 2.83Å; K276-D280 VanDerWaalsContact O-N 3.15Å; V278-D280 PolarHBondContact O-N 3.25Å; D280-L282 PolarHBondContact O-N 2.8Å; D280-S283 WeakPolarHBondContact O-CB 3.38Å; D280-S283 PolarHBondContact O-N 2.91Å
281I75.6Confident75.8Confident58 Ų5884.7 Ų84.730%0.29742%0.424SS..Hα-helixtrans-62.4-43.8178.1-69.3170.2000111.6R277 V278 S283 P305 L308R277-I281 WeakPolarHBondContact O-CG1 3.42Å; V278-I281 PolarHBondContact O-N 2.85Å; I281-S283 PolarHBondContact O-N 2.99Å; I281-P305 WeakPolarHBondContact O-CB 3.49Å; I281-L308 HydrophobicContact CG2-CD1 4.42Å; I281-L308 HydrophobicContact CG2-CG 3.85Å
282L78.6Confident77.2Confident2 Ų280.6 Ų80.61%0.0141%0.414CS..Hα-helixtrans-68.5-19.9178.7-65.9170.6000113.5V278 Q279 D280 G284 L308 A365 V370V278-L282 HydrophobicContact CG1-CD1 4.08Å; V278-L282 HydrophobicContact CG1-CG 4.49Å; V278-L282 WeakPolarHBondContact O-CG 3.48Å; V278-L282 PolarHBondContact O-N 3.21Å; Q279-L282 PolarHBondContact O-N 2.88Å; D280-L282 PolarHBondContact O-N 2.8Å; L282-G284 VanDerWaalsContact C-N 3.34Å; L282-L308 HydrophobicContact CD2-CD1 4.25Å; L282-A365 HydrophobicContact CD2-CB 4.25Å; L282-V370 HydrophobicContact CD1-CB 4.13Å; L282-V370 HydrophobicContact CD1-CG1 4.12Å; L282-V370 VanDerWaalsContact CD1-O 3.29Å; L282-V370 WeakPolarHBondContact CD1-O 3.23Å
283S79.7Confident78.3Confident41 Ų4176.9 Ų76.929%0.28739%0.394SS..THydrogen-bonded Turntrans-80-14.1-176.4-61.80000113.6Q279 D280 I281 M285 G372 A373Q279-S283 PolarHBondContact O-N 2.88Å; Q279-S283 PolarHBondContact O-OG 2.04Å; D280-S283 WeakPolarHBondContact O-CB 3.38Å; D280-S283 PolarHBondContact O-N 2.91Å; I281-S283 PolarHBondContact O-N 2.99Å; S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 2.79Å; S283-M285 VanDerWaalsContact O-N 3.13Å; S283-G372 WeakPolarHBondContact OG-CA 3.33Å; S283-A373 PolarHBondContact OG-N 2.83Å
284G75.2Confident79.2Confident34 Ų3476.4 Ų76.435%0.35138%0.381SS..  trans-84.856.6-179.400000114.4L282 P305 T306L282-G284 VanDerWaalsContact C-N 3.34Å; G284-P305 CarbonylContact O-C 3.54Å; G284-P305 VanDerWaalsContact O-CA 3.24Å; G284-P305 WeakPolarHBondContact O-CA 3.26Å; G284-T306 PolarHBondContact O-N 2.94Å; G284-T306 PolarHBondContact O-OG1 2.89Å
285M81.1Confident79.9Confident17 Ų1770.3 Ų70.38%0.08436%0.356CS..PPolyproline II helixtrans-102.8137.1177.3-168.2-153.6-68.700112.4S283 Y324 V363 A365 S375S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 2.79Å; S283-M285 VanDerWaalsContact O-N 3.13Å; M285-Y324 HydrophobicContact CE-CD1 3.87Å; M285-Y324 HydrophobicContact CE-CE1 4.24Å; M285-V363 HydrophobicContact CE-CB 4.06Å; M285-V363 HydrophobicContact CE-CG1 3.95Å; M285-V363 HydrophobicContact SD-CB 3.7Å; M285-V363 HydrophobicContact SD-CG1 4.14Å; M285-A365 HydrophobicContact CE-CB 3.82Å; M285-S375 WeakPolarHBondContact O-CB 3.46Å
286E81.1Confident80.5Confident125 Ų12573 Ų7358%0.58436%0.36SS*.PPolyproline II helixtrans-70.6163.3172-60.8-168.7143.500113.2S375E286-S375 WeakPolarHBondContact O-CB 3.43Å; E286-S375 PolarHBondContact O-OG 2.83Å
287K81.3Confident81Confident123 Ų12368.1 Ų68.154%0.53534%0.342SS..PPolyproline II helixtrans-65.7140.2175.767.8-176-177.5179.40111.4E376K287-E376 HydrophobicContact CB-CB 4.22Å; K287-E376 WeakPolarHBondContact CB-O 3.31Å
288P85.9Confident81.6Confident0 Ų059.4 Ų59.40%031%0.309CS..PPolyproline II helixtrans-65.7151.5173.327.7-34.7000111.9T301 W302 V361 V363 V378P288-T301 CarbonylContact C-O 3.51Å; P288-T301 VanDerWaalsContact CA-O 3.27Å; P288-T301 WeakPolarHBondContact CA-O 3.25Å; P288-T301 WeakPolarHBondContact CB-O 3.47Å; P288-W302 HydrophobicContact CB-CB 4.26Å; P288-V361 HydrophobicContact CG-CG1 4.09Å; P288-V363 HydrophobicContact CB-CG2 4.01Å; P288-V363 HydrophobicContact CG-CG2 4.01Å; P288-V378 HydrophobicContact CB-CG1 4.48Å; P288-V378 HydrophobicContact CG-CB 4.36Å; P288-V378 HydrophobicContact CG-CG1 3.78Å; P288-V378 WeakPolarHBondContact O-CB 3.29Å
289Q85Confident82.4Confident107 Ų10760.1 Ų60.150%0.531%0.312SS..EExtended strand (participates in β ladder)trans-96155.9172.9-61.1-67.2-15.100110.6L300 T301Q289-L300 WeakPolarHBondContact O-CA 3.4Å; Q289-T301 PolarHBondContact N-O 2.99Å; Q289-T301 PolarHBondContact O-N 2.83Å; Q289-T301 VanDerWaalsContact O-N 3.08Å
290V85.6Confident83Confident29 Ų2955.8 Ų55.818%0.17629%0.291CS..EExtended strand (participates in β ladder)trans-131127.3-177.9-170.30000109.4I293 V298 L300 V378 F380V290-I293 HydrophobicContact CG1-CD1 4.29Å; V290-I293 HydrophobicContact CG1-CG1 4.04Å; V290-V298 HydrophobicContact CG1-CG2 3.28Å; V290-L300 HydrophobicContact CB-CD2 4.46Å; V290-L300 HydrophobicContact CG1-CD2 4.17Å; V290-L300 HydrophobicContact CG2-CD2 3.89Å; V290-V378 HydrophobicContact CG2-CB 4.23Å; V290-V378 HydrophobicContact CG2-CG1 3.39Å; V290-V378 HydrophobicContact CG2-CG2 3.75Å; V290-F380 HydrophobicContact CG1-CB 3.9Å; V290-F380 HydrophobicContact CG1-CD1 3.84Å; V290-F380 HydrophobicContact CG1-CD2 4.41Å; V290-F380 HydrophobicContact CG1-CG 3.79Å; V290-F380 HydrophobicContact CG2-CD1 4.12Å
291T84.5Confident83.5Confident69 Ų6952.2 Ų52.242%0.42327%0.274SS..EExtended strand (participates in β ladder)trans-141166.6-179.3630000111.6I293 V298 L299T291-I293 PolarHBondContact O-N 3.13Å; T291-V298 WeakPolarHBondContact O-CG2 3.21Å; T291-L299 PolarHBondContact N-O 2.79Å; T291-L299 PolarHBondContact O-N 3.15Å
292N84.8Confident84.1Confident101 Ų10150.3 Ų50.354%0.5426%0.263SS..  trans50.450.5176.8-163.9-0.4000113.3Q294 L299N292-Q294 PolarHBondContact OD1-NE2 2.86Å; N292-L299 HydrophobicContact CB-CB 4.47Å
293I85.9Confident84.3Confident55 Ų5551.9 Ų51.928%0.28227%0.274SS..  trans-70.7128.8176.9-57161.3000109.1V290 T291 V298 F380 T381 H383V290-I293 HydrophobicContact CG1-CD1 4.29Å; V290-I293 HydrophobicContact CG1-CG1 4.04Å; T291-I293 PolarHBondContact O-N 3.13Å; I293-V298 HydrophobicContact CB-CG2 4.33Å; I293-V298 HydrophobicContact CG1-CG2 3.64Å; I293-F380 HydrophobicContact CD1-CB 3.95Å; I293-F380 HydrophobicContact CG1-CD2 4.38Å; I293-F380 HydrophobicContact CG2-CD2 4.36Å; I293-T381 WeakPolarHBondContact CG2-O 3.23Å; I293-H383 PolarHBondContact O-CE1 2.94Å; I293-H383 VanDerWaalsContact O-CE1 3.31Å
294Q84.6Confident84.2Confident92 Ų9252.5 Ų52.543%0.4328%0.277SS..  trans-127.4-171.3175.2-49.8-173.4-1.200109.8N292 R296 T297 T382 H383N292-Q294 PolarHBondContact OD1-NE2 2.86Å; Q294-R296 VanDerWaalsContact C-N 3.32Å; Q294-R296 PolarHBondContact O-N 2.7Å; Q294-T297 WeakPolarHBondContact CB-OG1 3.27Å; Q294-T297 PolarHBondContact N-O 2.96Å; Q294-T297 PolarHBondContact OE1-OG1 3.23Å; Q294-T382 WeakPolarHBondContact O-CB 3.37Å; Q294-H383 PolarHBondContact O-N 3.14Å
295A80.7Confident84.4Confident22 Ų2250.9 Ų50.918%0.18226%0.26CS..SBendtrans-70.5-25.3-179.700000114R354 P355 H383A295-R354 CarbonylContact O-C 3.59Å; A295-P355 HydrophobicContact CB-CG 4.48Å; A295-P355 WeakPolarHBondContact O-CA 3.09Å; A295-H383 VanDerWaalsContact CA-O 3.29Å; A295-H383 WeakPolarHBondContact CA-O 3.41Å; A295-H383 HydrophobicContact CB-CB 4.35Å; A295-H383 WeakPolarHBondContact CB-O 3.47Å
296R83.9Confident83.8Confident108 Ų10853.8 Ų53.841%0.40828%0.279SS..SBendtrans-137.64.7-179.3-60.8-159.6167.7123.60.5115.1Q294 K351 D352 L353 P355Q294-R296 VanDerWaalsContact C-N 3.32Å; Q294-R296 PolarHBondContact O-N 2.7Å; R296-K351 CarbonylContact O-C 3.46Å; R296-D352 PolarHBondContact O-N 3.22Å; R296-L353 WeakPolarHBondContact CA-O 3.3Å; R296-L353 WeakPolarHBondContact CB-O 3.35Å; R296-L353 VanDerWaalsContact CG-O 3.25Å; R296-L353 WeakPolarHBondContact CG-O 3.06Å; R296-L353 PolarHBondContact O-N 2.93Å; R296-P355 HydrophobicContact CG-CG 4.09Å
297T84.8Confident82.9Confident33 Ų3349.4 Ų49.420%0.20227%0.268CS..  trans-143157.2-174.959.50000111.6Q294 L350 K351Q294-T297 WeakPolarHBondContact CB-OG1 3.27Å; Q294-T297 PolarHBondContact N-O 2.96Å; Q294-T297 PolarHBondContact OE1-OG1 3.23Å; T297-L350 CarbonylContact C-O 3.56Å; T297-L350 VanDerWaalsContact CA-O 3.26Å; T297-L350 WeakPolarHBondContact CA-O 3.26Å; T297-K351 HydrophobicContact CG2-CB 4.14Å; T297-K351 HydrophobicContact CG2-CG 3.9Å
298V88.9Confident82Confident1 Ų145.2 Ų45.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-157.4155.6174.3730000110.7V290 T291 I293 L300 N349 L350 L353 F380V290-V298 HydrophobicContact CG1-CG2 3.28Å; T291-V298 WeakPolarHBondContact O-CG2 3.21Å; I293-V298 HydrophobicContact CB-CG2 4.33Å; I293-V298 HydrophobicContact CG1-CG2 3.64Å; V298-L300 HydrophobicContact CG1-CD2 4.28Å; V298-L300 HydrophobicContact CG1-CG 4.3Å; V298-N349 CarbonylContact O-C 3.6Å; V298-L350 HydrophobicContact CG1-CB 3.83Å; V298-L350 HydrophobicContact CG1-CD2 3.97Å; V298-L350 HydrophobicContact CG1-CG 4.12Å; V298-L350 PolarHBondContact N-O 3.02Å; V298-L350 PolarHBondContact O-N 2.98Å; V298-L353 HydrophobicContact CB-CD1 4.34Å; V298-L353 HydrophobicContact CG1-CD1 3.9Å; V298-F380 HydrophobicContact CB-CE2 4.03Å; V298-F380 HydrophobicContact CB-CZ 4.32Å; V298-F380 HydrophobicContact CG1-CE1 4.29Å; V298-F380 HydrophobicContact CG1-CE2 3.83Å; V298-F380 HydrophobicContact CG1-CZ 3.61Å; V298-F380 HydrophobicContact CG2-CD2 4.24Å; V298-F380 HydrophobicContact CG2-CE2 4.16Å
299L89.3Confident80.7Confident39 Ų3951 Ų5120%0.20428%0.282CS..EExtended strand (participates in β ladder)trans-105.7127.6170.5-17762.7000110.6T291 N292 T301 N349T291-L299 PolarHBondContact N-O 2.79Å; T291-L299 PolarHBondContact O-N 3.15Å; N292-L299 HydrophobicContact CB-CB 4.47Å; L299-T301 HydrophobicContact CG-CG2 4.43Å; L299-N349 HydrophobicContact CD1-CB 4.27Å
300L89.8Confident79.3Confident0 Ų052.7 Ų52.70%029%0.294CS..EExtended strand (participates in β ladder)trans-110.5139.4177.8-57.9170.8000109.4Q289 V290 V298 W302 V326 I340 E347 Y348 L350 V361 F380Q289-L300 WeakPolarHBondContact O-CA 3.4Å; V290-L300 HydrophobicContact CB-CD2 4.46Å; V290-L300 HydrophobicContact CG1-CD2 4.17Å; V290-L300 HydrophobicContact CG2-CD2 3.89Å; V298-L300 HydrophobicContact CG1-CD2 4.28Å; V298-L300 HydrophobicContact CG1-CG 4.3Å; L300-W302 HydrophobicContact CB-CZ3 4.32Å; L300-V326 HydrophobicContact CD1-CG1 4.19Å; L300-I340 HydrophobicContact CD1-CD1 4.37Å; L300-E347 CarbonylContact O-C 3.59Å; L300-E347 VanDerWaalsContact O-CA 3.24Å; L300-E347 WeakPolarHBondContact O-CA 3.49Å; L300-Y348 HydrophobicContact CD1-CD1 4.41Å; L300-Y348 PolarHBondContact N-O 3.44Å; L300-Y348 PolarHBondContact O-N 3.29Å; L300-L350 HydrophobicContact CD1-CB 4.06Å; L300-L350 HydrophobicContact CD1-CD2 3.89Å; L300-V361 HydrophobicContact CD1-CG1 4.04Å; L300-V361 HydrophobicContact CD1-CG2 4.02Å; L300-V361 HydrophobicContact CD2-CB 4.45Å; L300-V361 HydrophobicContact CD2-CG1 4.34Å; L300-V361 HydrophobicContact CD2-CG2 4.13Å; L300-F380 HydrophobicContact CD2-CE1 4.39Å
301T87.1Confident77.6Confident41 Ų4154.3 Ų54.325%0.25231%0.31SS..EExtended strand (participates in β ladder)trans-139.8152.7174.8670000111.8P288 Q289 L299 L346 E347P288-T301 CarbonylContact C-O 3.51Å; P288-T301 VanDerWaalsContact CA-O 3.27Å; P288-T301 WeakPolarHBondContact CA-O 3.25Å; P288-T301 WeakPolarHBondContact CB-O 3.47Å; Q289-T301 PolarHBondContact N-O 2.99Å; Q289-T301 PolarHBondContact O-N 2.83Å; Q289-T301 VanDerWaalsContact O-N 3.08Å; L299-T301 HydrophobicContact CG-CG2 4.43Å; T301-L346 CarbonylContact C-O 3.51Å; T301-L346 VanDerWaalsContact CA-O 3.3Å; T301-L346 WeakPolarHBondContact CA-O 3.46Å; T301-E347 HydrophobicContact CG2-CB 3.78Å
302W88.1Confident75.6Confident17 Ų1758.3 Ų58.36%0.06433%0.329CS..  trans-150.2175.8-179.357.490.9000112.8P288 L300 Y324 V326 Y341 E345 L346 V363P288-W302 HydrophobicContact CB-CB 4.26Å; L300-W302 HydrophobicContact CB-CZ3 4.32Å; W302-Y324 AromaticContact CD1-CD1 3.88Å; W302-Y324 AromaticContact NE1-CD1 3.6Å; W302-Y324 AromaticContact NE1-CD2 3.63Å; W302-Y324 AromaticContact NE1-CG 3.25Å; W302-V326 HydrophobicContact CE3-CG2 4.13Å; W302-V326 HydrophobicContact CH2-CG2 3.29Å; W302-V326 HydrophobicContact CZ2-CG2 3.72Å; W302-V326 HydrophobicContact CZ3-CG2 3.52Å; W302-Y341 HydrophobicContact CH2-CD1 4.16Å; W302-Y341 HydrophobicContact CH2-CE1 4.27Å; W302-Y341 HydrophobicContact CZ2-CD1 4.26Å; W302-Y341 HydrophobicContact CZ2-CE1 4.1Å; W302-E345 WeakPolarHBondContact CZ2-O 3.33Å; W302-E345 PolarHBondContact NE1-O 3.02Å; W302-L346 PolarHBondContact N-O 2.75Å; W302-V363 HydrophobicContact CB-CG2 4.43Å; W302-V363 HydrophobicContact CD2-CG1 4.25Å; W302-V363 HydrophobicContact CD2-CG2 4.14Å; W302-V363 HydrophobicContact CE3-CG2 4.22Å; W302-V363 HydrophobicContact CG-CG1 4.28Å; W302-V363 HydrophobicContact CG-CG2 4.24Å
303S82.2Confident74Confident35 Ų3563.9 Ų63.925%0.24534%0.343CS..  trans-124.1155.3-176500000112.3
304P79.5Confident72.2Confident54 Ų5470.2 Ų70.235%0.35137%0.371SS..  trans-65.1158.2175.7-22.834.6000114Y324 L346P304-Y324 WeakPolarHBondContact CA-OH 3.43Å; P304-Y324 WeakPolarHBondContact CB-OH 3.41Å; P304-L346 HydrophobicContact CG-CD1 4.26Å; P304-L346 HydrophobicContact CG-CD2 4.36Å
305P78Confident70.2Confident0 Ų073.4 Ų73.40%039%0.391CS..  trans-64.5134.5179.7-20.232.9000113.1I281 G284 G307 L308 A365I281-P305 WeakPolarHBondContact O-CB 3.49Å; G284-P305 CarbonylContact O-C 3.54Å; G284-P305 VanDerWaalsContact O-CA 3.24Å; G284-P305 WeakPolarHBondContact O-CA 3.26Å; P305-G307 PolarHBondContact O-N 2.9Å; P305-G307 VanDerWaalsContact O-N 3.14Å; P305-L308 HydrophobicContact CB-CD1 4.39Å; P305-L308 HydrophobicContact CG-CD1 4.24Å; P305-L308 PolarHBondContact O-N 2.91Å; P305-A365 HydrophobicContact CG-CB 3.48Å; P305-A365 VanDerWaalsContact CG-CB 3.48Å
306T69.4Low68.7Low78 Ų7880.1 Ų80.148%0.47942%0.423SS..G310 helixtrans-63.1-28.3-169.4-32.30000113.6G284 L308 L309G284-T306 PolarHBondContact O-N 2.94Å; G284-T306 PolarHBondContact O-OG1 2.89Å; T306-L308 VanDerWaalsContact C-N 3.31Å; T306-L308 PolarHBondContact O-N 2.68Å; T306-L309 PolarHBondContact O-N 2.92Å
307G61.9Low67.1Low34 Ų3478.3 Ų78.335%0.35144%0.438SS..G310 helixtrans-69.5-22.6-179.400000114.6P305 L309P305-G307 PolarHBondContact O-N 2.9Å; P305-G307 VanDerWaalsContact O-N 3.14Å; G307-L309 VanDerWaalsContact C-N 3.28Å; G307-L309 PolarHBondContact O-N 3.24Å
308L61.6Low65.5Low34 Ų3480.5 Ų80.518%0.17845%0.449CS..G310 helixtrans-74.5-16.5178.6-91.1149.8000113.3I281 L282 P305 T306 Y320 C322I281-L308 HydrophobicContact CG2-CD1 4.42Å; I281-L308 HydrophobicContact CG2-CG 3.85Å; L282-L308 HydrophobicContact CD2-CD1 4.25Å; P305-L308 HydrophobicContact CB-CD1 4.39Å; P305-L308 HydrophobicContact CG-CD1 4.24Å; P305-L308 PolarHBondContact O-N 2.91Å; T306-L308 VanDerWaalsContact C-N 3.31Å; T306-L308 PolarHBondContact O-N 2.68Å; L308-Y320 WeakPolarHBondContact O-CE1 3.41Å; L308-C322 VanDerWaalsContact CD1-SG 3.51Å
309L58.9Low63.8Low123 Ų12384.8 Ų84.864%0.64448%0.476SS*.G310 helixtrans-88.3-4.1-173.7-67.4165.8000114.4T306 G307T306-L309 PolarHBondContact O-N 2.92Å; G307-L309 VanDerWaalsContact C-N 3.28Å; G307-L309 PolarHBondContact O-N 3.24Å
310N55.1Low62.3Low141 Ų14190.7 Ų90.775%0.75450%0.497SS*.SBendtrans-128.116.4-167.8-75.8-50.6000114.7
311A50.1Low61.3Low63 Ų6394.8 Ų94.852%0.52152%0.522SS..  trans-104.793-174.500000112.5
312D43.2Very low60.7Low154 Ų15493.4 Ų93.482%0.82451%0.514SS*.  trans-143.8153.9174.4-155.9-9.4000112.3
313R51.8Low60.5Low217 Ų21795 Ų9582%0.81953%0.526SS*.SBendtrans75.2108.9-174.2-55.9-175.7174.1-161.5-3.4117.2
314H48.3Very low60.7Low188 Ų18893.9 Ų93.987%0.8752%0.516SS*.SBendtrans80121.8165.4-6442.9000116.5
315N41Very low61.2Low159 Ų15993.3 Ų93.385%0.8551%0.509SS*.SBendtrans61.2111.9-172.2-76.24.6000117.4G317N315-G317 PolarHBondContact O-N 3.07Å
316N50.2Low61.7Low163 Ų16393.3 Ų93.387%0.87251%0.509SS*.  trans31.180.3156.1-62.41.3000117.2
317G49.6Very low62.6Low70 Ų7089.6 Ų89.672%0.72249%0.486SS*.PPolyproline II helixtrans-69146.3164.800000112.4N315N315-G317 PolarHBondContact O-N 3.07Å
318L51.4Low63.9Low80 Ų8089 Ų8942%0.41948%0.475SS..PPolyproline II helixtrans-83.4135.4178-65.4172000110.6V278 Y367V278-L318 HydrophobicContact CG1-CD1 4.37Å; V278-L318 HydrophobicContact CG2-CD1 3.85Å; L318-Y367 HydrophobicContact CB-CE1 3.95Å; L318-Y367 HydrophobicContact CD1-CD1 4.21Å; L318-Y367 HydrophobicContact CD1-CE1 3.76Å; L318-Y367 HydrophobicContact CD2-CE1 4.01Å; L318-Y367 HydrophobicContact CG-CE1 4.11Å
319P53.1Low65Low90 Ų9087.6 Ų87.658%0.58447%0.468SS*.PPolyproline II helixtrans-63.8143.1-178.921.8-33.1000113.9T321 Y367P319-T321 PolarHBondContact O-N 2.95Å; P319-Y367 VanDerWaalsContact CD-OH 3.23Å; P319-Y367 WeakPolarHBondContact CD-OH 3.28Å; P319-Y367 WeakPolarHBondContact CG-OH 3.48Å; P319-Y367 VanDerWaalsContact O-CE2 3.25Å; P319-Y367 WeakPolarHBondContact O-CE2 3.11Å
320Y57.7Low66Low163 Ų16384.9 Ų84.964%0.63945%0.454SS*.SBendtrans-81.161.8-164.7-69.3-93.2000115.8L308L308-Y320 WeakPolarHBondContact O-CE1 3.41Å
321T68.4Low66.7Low86 Ų8685.8 Ų85.853%0.52845%0.451SS..  trans-135.1117.9163.549.20000111.7P319 Y367P319-T321 PolarHBondContact O-N 2.95Å; T321-Y367 WeakPolarHBondContact O-CD2 3.33Å
322C75.6Confident67.3Low13 Ų1384 Ų849%0.08844%0.439CS..  trans-112.7146173.8-71.80000110.1L308L308-C322 VanDerWaalsContact CD1-SG 3.51Å
323T82.8Confident68.1Low49 Ų4981.8 Ų81.830%0.30142%0.422SS..EExtended strand (participates in β ladder)trans-97.9144.917248.80000110.4E344 I366T323-E344 HydrophobicContact CG2-CG 3.81Å; T323-I366 PolarHBondContact N-O 3.14Å; T323-I366 PolarHBondContact O-N 2.9Å; T323-I366 PolarHBondContact OG1-O 3.32Å
324Y87.1Confident68.6Low13 Ų1379.4 Ų79.45%0.05143%0.425CS..EExtended strand (participates in β ladder)trans-117126-176.2-57.7-77.2000111M285 W302 P304 S342 G343 L346 Y364 A365M285-Y324 HydrophobicContact CE-CD1 3.87Å; M285-Y324 HydrophobicContact CE-CE1 4.24Å; W302-Y324 AromaticContact CD1-CD1 3.88Å; W302-Y324 AromaticContact NE1-CD1 3.6Å; W302-Y324 AromaticContact NE1-CD2 3.63Å; W302-Y324 AromaticContact NE1-CG 3.25Å; P304-Y324 WeakPolarHBondContact CA-OH 3.43Å; P304-Y324 WeakPolarHBondContact CB-OH 3.41Å; Y324-S342 VanDerWaalsContact O-CA 3.31Å; Y324-S342 WeakPolarHBondContact O-CA 3.3Å; Y324-G343 PolarHBondContact N-O 3.46Å; Y324-G343 PolarHBondContact O-N 2.67Å; Y324-G343 VanDerWaalsContact O-N 3.1Å; Y324-L346 HydrophobicContact CD2-CD2 4.09Å; Y324-L346 HydrophobicContact CE1-CD2 4.41Å; Y324-L346 HydrophobicContact CE2-CD2 3.55Å; Y324-Y364 VanDerWaalsContact CA-O 3.29Å; Y324-Y364 WeakPolarHBondContact CA-O 3.42Å; Y324-A365 HydrophobicContact CD1-CB 4.34Å; Y324-A365 HydrophobicContact CE1-CB 4.22Å
325E90Very high69.6Low42 Ų4271.3 Ų71.320%0.19639%0.393CS..EExtended strand (participates in β ladder)trans-103.7115.8170.9-79.3-169.8148.100110.6I339 Y341 V363 Y364 I366 K371E325-I339 HydrophobicContact CB-CD1 4.29Å; E325-I339 HydrophobicContact CB-CG2 4.12Å; E325-I339 HydrophobicContact CG-CG2 4.13Å; E325-Y341 CarbonylContact C-O 3.51Å; E325-Y341 WeakPolarHBondContact CA-O 3.27Å; E325-V363 CarbonylContact O-C 3.58Å; E325-V363 VanDerWaalsContact O-CA 3.31Å; E325-V363 WeakPolarHBondContact O-CA 3.29Å; E325-V363 WeakPolarHBondContact O-CG1 3.49Å; E325-Y364 HydrophobicContact CB-CD2 4.21Å; E325-Y364 PolarHBondContact N-O 3.42Å; E325-Y364 PolarHBondContact O-N 3.08Å; E325-I366 HydrophobicContact CG-CD1 3.82Å; E325-K371 IonicContact OE2-NZ 3.14Å; E325-K371 PolarHBondContact OE2-NZ 3.03Å
326V89.1Confident71.2Confident0 Ų073.4 Ų73.40%040%0.395CS..EExtended strand (participates in β ladder)trans-90129.6174.3-174.30000109.3L300 W302 I339 I340 Y341 V361 V363L300-V326 HydrophobicContact CD1-CG1 4.19Å; W302-V326 HydrophobicContact CE3-CG2 4.13Å; W302-V326 HydrophobicContact CH2-CG2 3.29Å; W302-V326 HydrophobicContact CZ2-CG2 3.72Å; W302-V326 HydrophobicContact CZ3-CG2 3.52Å; V326-I339 CarbonylContact O-C 3.55Å; V326-I339 WeakPolarHBondContact O-CA 3.35Å; V326-I340 HydrophobicContact CB-CG1 4.14Å; V326-I340 HydrophobicContact CG1-CD1 3.88Å; V326-I340 HydrophobicContact CG1-CG1 3.96Å; V326-I340 VanDerWaalsContact O-CG1 3.31Å; V326-I340 WeakPolarHBondContact O-CG1 3.27Å; V326-I340 PolarHBondContact O-N 2.82Å; V326-Y341 HydrophobicContact CG2-CD1 3.97Å; V326-Y341 HydrophobicContact CG2-CG 4.45Å; V326-Y341 PolarHBondContact N-O 2.86Å; V326-Y341 PolarHBondContact O-N 2.78Å; V326-V361 HydrophobicContact CG1-CG1 3.64Å; V326-V363 HydrophobicContact CG1-CG2 4.34Å; V326-V363 HydrophobicContact CG2-CG1 4.1Å; V326-V363 HydrophobicContact CG2-CG2 4.11Å
327A87.6Confident72.9Confident0 Ų067.1 Ų67.10%036%0.359CS..EExtended strand (participates in β ladder)trans-121129.9-177.700000111.5Y337 K338 I339 V361 R362 Y364A327-Y337 HydrophobicContact CB-CD1 4.4Å; A327-K338 CarbonylContact C-O 3.52Å; A327-K338 WeakPolarHBondContact CA-O 3.38Å; A327-I339 HydrophobicContact CB-CD1 3.67Å; A327-V361 WeakPolarHBondContact O-CA 3.46Å; A327-R362 HydrophobicContact CB-CG 4.12Å; A327-R362 PolarHBondContact N-O 3.34Å; A327-R362 PolarHBondContact O-N 3.44Å; A327-Y364 HydrophobicContact CB-CE2 4.02Å
328L89.5Confident74.6Confident22 Ų2271.2 Ų71.212%0.11536%0.357CS..EExtended strand (participates in β ladder)trans-114.9143.5-175.8-177.872.6000111.4Y337 K338 I340 L350 L353 Y359 H360 V361L328-Y337 CarbonylContact O-C 3.48Å; L328-Y337 WeakPolarHBondContact O-CA 3.36Å; L328-K338 PolarHBondContact N-O 2.74Å; L328-K338 PolarHBondContact O-N 3.08Å; L328-I340 HydrophobicContact CB-CD1 3.83Å; L328-I340 HydrophobicContact CB-CG1 4.03Å; L328-I340 HydrophobicContact CB-CG2 3.74Å; L328-I340 HydrophobicContact CD2-CD1 4.37Å; L328-I340 HydrophobicContact CD2-CG2 4.06Å; L328-L350 HydrophobicContact CD1-CD2 3.82Å; L328-L350 HydrophobicContact CD2-CD1 4.19Å; L328-L350 HydrophobicContact CD2-CD2 3.95Å; L328-L350 HydrophobicContact CG-CD2 4.48Å; L328-L353 HydrophobicContact CD2-CD2 4.25Å; L328-Y359 HydrophobicContact CD1-CD1 3.76Å; L328-Y359 HydrophobicContact CD1-CG 4.23Å; L328-Y359 HydrophobicContact CD2-CD1 4.08Å; L328-Y359 HydrophobicContact CD2-CE1 4.24Å; L328-Y359 HydrophobicContact CG-CD1 4.02Å; L328-H360 CarbonylContact C-O 3.6Å; L328-H360 WeakPolarHBondContact CA-O 3.47Å; L328-V361 HydrophobicContact CD1-CG2 3.44Å; L328-V361 VanDerWaalsContact CD1-CG2 3.44Å
329S85.1Confident76.3Confident4 Ų470.4 Ų70.43%0.02835%0.352CS..EExtended strand (participates in β ladder)trans-137.8142.2166.8-154.30000112K336 H360S329-K336 PolarHBondContact OG-O 2.87Å; S329-H360 PolarHBondContact N-O 3.41Å; S329-H360 PolarHBondContact O-N 2.83Å
330D78.8Confident77.9Confident66 Ų6668 Ų6835%0.35333%0.334SS..SBendtrans-100.322.5177.267.8-30000112.7R354 Y359D330-R354 IonicContact OD2-NH1 3.12Å; D330-R354 PolarHBondContact OD2-NH1 2.86Å; D330-Y359 HydrophobicContact CB-CD1 4.04Å; D330-Y359 HydrophobicContact CB-CE1 3.72Å
331K70.7Confident79.3Confident160 Ų16061.8 Ų61.870%0.69631%0.31SS*.SBendtrans-143.330.9-167.4-60.5-168.5-179.6-169.80115.7
332G63.3Low80.1Confident26 Ų2661.3 Ų61.327%0.26831%0.31SS..  trans84.7178.8179.100000114.7D334 G335 H360G332-D334 VanDerWaalsContact C-N 3.27Å; G332-D334 PolarHBondContact O-N 3.4Å; G332-G335 PolarHBondContact O-N 2.96Å; G332-H360 VanDerWaalsContact CA-CD2 3.48Å; G332-H360 WeakPolarHBondContact CA-CD2 3.44Å; G332-H360 WeakPolarHBondContact CA-NE2 3.18Å
333K59.5Low80.6Confident107 Ų10761.4 Ų61.447%0.46531%0.314SS..THydrogen-bonded Turntrans-62.3-31-178.8-77.3-160.2172.7-157.50113.4G335 Y337 E376 P377K333-G335 VanDerWaalsContact C-N 3.32Å; K333-G335 PolarHBondContact O-N 2.86Å; K333-Y337 WeakPolarHBondContact O-CE2 3.35Å; K333-Y337 PolarHBondContact O-OH 2.84Å; K333-E376 IonicContact NZ-OE2 2.66Å; K333-E376 PolarHBondContact NZ-OE2 3.22Å; K333-P377 HydrophobicContact CD-CG 4.02Å; K333-P377 HydrophobicContact CG-CG 4.12Å
334D62.7Low80.6Confident166 Ų16665 Ų6589%0.88833%0.327SS*.THydrogen-bonded Turntrans-89.14.5-175.3-46.4-53.5000113.5G332G332-D334 VanDerWaalsContact C-N 3.27Å; G332-D334 PolarHBondContact O-N 3.4Å
335G68.2Low80.6Confident19 Ų1970.2 Ų70.220%0.19635%0.352CS..SBendtrans-72.8162.6-177.300000114.5G332 K333 Y337G332-G335 PolarHBondContact O-N 2.96Å; K333-G335 VanDerWaalsContact C-N 3.32Å; K333-G335 PolarHBondContact O-N 2.86Å; G335-Y337 VanDerWaalsContact O-CD2 3.24Å; G335-Y337 WeakPolarHBondContact O-CD2 3.49Å; G335-Y337 PolarHBondContact O-N 2.76Å
336K75.2Confident80.3Confident203 Ų20371.5 Ų71.588%0.88336%0.36SS*.  trans-69.2113.7161.8-73.4-173.9176.6-178.50108.4S329S329-K336 PolarHBondContact OG-O 2.87Å
337Y85.6Confident80.3Confident31 Ų3177 Ų7712%0.12239%0.386CS..  trans-79.8138.3169.8-65.4-107.6000109.7A327 L328 K333 G335 H360 R362 P377A327-Y337 HydrophobicContact CB-CD1 4.4Å; L328-Y337 CarbonylContact O-C 3.48Å; L328-Y337 WeakPolarHBondContact O-CA 3.36Å; K333-Y337 WeakPolarHBondContact O-CE2 3.35Å; K333-Y337 PolarHBondContact O-OH 2.84Å; G335-Y337 VanDerWaalsContact O-CD2 3.24Å; G335-Y337 WeakPolarHBondContact O-CD2 3.49Å; G335-Y337 PolarHBondContact O-N 2.76Å; Y337-H360 HydrophobicContact CE1-CB 3.94Å; Y337-R362 HydrophobicContact CD1-CG 3.92Å; Y337-R362 HydrophobicContact CE1-CG 3.99Å; Y337-R362 HydrophobicContact CG-CG 4.45Å; Y337-P377 HydrophobicContact CE1-CB 4.37Å; Y337-P377 WeakPolarHBondContact OH-CB 3.35Å
338K85.4Confident80.3Confident155 Ų15580.2 Ų80.267%0.67440%0.398SS*.EExtended strand (participates in β ladder)trans-105.2132.6173.3-175.7-167.2172-168.80108.7A327 L328 I340A327-K338 CarbonylContact C-O 3.52Å; A327-K338 WeakPolarHBondContact CA-O 3.38Å; L328-K338 PolarHBondContact N-O 2.74Å; L328-K338 PolarHBondContact O-N 3.08Å; K338-I340 PolarHBondContact O-N 3.01Å
339I86.1Confident80.3Confident63 Ų6382.6 Ų82.632%0.32341%0.411SS..EExtended strand (participates in β ladder)trans-63.9126.5170.2-49.7-50.6000108.7E325 V326 A327 Y341 Y364E325-I339 HydrophobicContact CB-CD1 4.29Å; E325-I339 HydrophobicContact CB-CG2 4.12Å; E325-I339 HydrophobicContact CG-CG2 4.13Å; V326-I339 CarbonylContact O-C 3.55Å; V326-I339 WeakPolarHBondContact O-CA 3.35Å; A327-I339 HydrophobicContact CB-CD1 3.67Å; I339-Y341 VanDerWaalsContact CG2-O 3.31Å; I339-Y341 WeakPolarHBondContact CG2-O 3.48Å; I339-Y364 HydrophobicContact CD1-CD2 4.44Å; I339-Y364 HydrophobicContact CD1-CE2 4.08Å
340I86.8Confident80.4Confident41 Ų4182.8 Ų82.821%0.2141%0.412CS..EExtended strand (participates in β ladder)trans-112.6-23.6-179.350.6157.8000112.9L300 V326 L328 K338 Y348 L350L300-I340 HydrophobicContact CD1-CD1 4.37Å; V326-I340 HydrophobicContact CB-CG1 4.14Å; V326-I340 HydrophobicContact CG1-CD1 3.88Å; V326-I340 HydrophobicContact CG1-CG1 3.96Å; V326-I340 VanDerWaalsContact O-CG1 3.31Å; V326-I340 WeakPolarHBondContact O-CG1 3.27Å; V326-I340 PolarHBondContact O-N 2.82Å; L328-I340 HydrophobicContact CB-CD1 3.83Å; L328-I340 HydrophobicContact CB-CG1 4.03Å; L328-I340 HydrophobicContact CB-CG2 3.74Å; L328-I340 HydrophobicContact CD2-CD1 4.37Å; L328-I340 HydrophobicContact CD2-CG2 4.06Å; K338-I340 PolarHBondContact O-N 3.01Å; I340-Y348 HydrophobicContact CD1-CD1 4.3Å; I340-Y348 HydrophobicContact CD1-CE1 4.05Å; I340-L350 HydrophobicContact CD1-CD1 3.88Å; I340-L350 HydrophobicContact CD1-CD2 3.87Å; I340-L350 HydrophobicContact CD1-CG 4.36Å
341Y87.7Confident80.7Confident31 Ų3185.5 Ų85.512%0.12242%0.42CS..EExtended strand (participates in β ladder)trans-143.5146.2176174.5-88.3000109.3W302 E325 V326 I339 G343 E345 Y348W302-Y341 HydrophobicContact CH2-CD1 4.16Å; W302-Y341 HydrophobicContact CH2-CE1 4.27Å; W302-Y341 HydrophobicContact CZ2-CD1 4.26Å; W302-Y341 HydrophobicContact CZ2-CE1 4.1Å; E325-Y341 CarbonylContact C-O 3.51Å; E325-Y341 WeakPolarHBondContact CA-O 3.27Å; V326-Y341 HydrophobicContact CG2-CD1 3.97Å; V326-Y341 HydrophobicContact CG2-CG 4.45Å; V326-Y341 PolarHBondContact N-O 2.86Å; V326-Y341 PolarHBondContact O-N 2.78Å; I339-Y341 VanDerWaalsContact CG2-O 3.31Å; I339-Y341 WeakPolarHBondContact CG2-O 3.48Å; Y341-G343 VanDerWaalsContact CE1-N 3.34Å; Y341-E345 WeakPolarHBondContact CE2-OE2 3.49Å; Y341-E345 VanDerWaalsContact OH-CB 3.24Å; Y341-E345 WeakPolarHBondContact OH-CB 3.47Å; Y341-E345 WeakPolarHBondContact OH-CG 3.46Å; Y341-E345 PolarHBondContact OH-N 2.95Å; Y341-E345 PolarHBondContact OH-OE2 3.44Å; Y341-Y348 AromaticContact CD2-CD2 3.29Å; Y341-Y348 HydrophobicContact CD2-CD2 3.29Å; Y341-Y348 AromaticContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CG 4.05Å; Y341-Y348 AromaticContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CE2 4.46Å; Y341-Y348 AromaticContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CE2 4.25Å; Y341-Y348 HydrophobicContact CG-CG 4.17Å
342S86.4Confident81.2Confident76 Ų7685.3 Ų85.353%0.53143%0.427SS..EExtended strand (participates in β ladder)trans-145.5117.5170.6-178.10000108.2Y324Y324-S342 VanDerWaalsContact O-CA 3.31Å; Y324-S342 WeakPolarHBondContact O-CA 3.3Å
343G84.8Confident82.2Confident16 Ų1684.4 Ų84.417%0.16542%0.416CS..EExtended strand (participates in β ladder)trans179.6-175.5-175.300000112.8Y324 Y341Y324-G343 PolarHBondContact N-O 3.46Å; Y324-G343 PolarHBondContact O-N 2.67Å; Y324-G343 VanDerWaalsContact O-N 3.1Å; Y341-G343 VanDerWaalsContact CE1-N 3.34Å
344E83.8Confident83.2Confident123 Ų12386.4 Ų86.458%0.57542%0.42SS*.SBendtrans-96.1-6.9-176.3-62.4-175.5157.800113.5T323T323-E344 HydrophobicContact CG2-CG 3.81Å
345E85.5Confident84.2Confident123 Ų12379.1 Ų79.158%0.57538%0.382SS*.  trans-72.1161-179.7-53.9165.4123.100111.4W302 Y341W302-E345 WeakPolarHBondContact CZ2-O 3.33Å; W302-E345 PolarHBondContact NE1-O 3.02Å; Y341-E345 WeakPolarHBondContact CE2-OE2 3.49Å; Y341-E345 VanDerWaalsContact OH-CB 3.24Å; Y341-E345 WeakPolarHBondContact OH-CB 3.47Å; Y341-E345 WeakPolarHBondContact OH-CG 3.46Å; Y341-E345 PolarHBondContact OH-N 2.95Å; Y341-E345 PolarHBondContact OH-OE2 3.44Å
346L85.6Confident84.9Confident70 Ų7080.3 Ų80.337%0.36639%0.39SS..SBendtrans-107.26.4179.2-66.6178.5000113.2T301 W302 P304 Y324T301-L346 CarbonylContact C-O 3.51Å; T301-L346 VanDerWaalsContact CA-O 3.3Å; T301-L346 WeakPolarHBondContact CA-O 3.46Å; W302-L346 PolarHBondContact N-O 2.75Å; P304-L346 HydrophobicContact CG-CD1 4.26Å; P304-L346 HydrophobicContact CG-CD2 4.36Å; Y324-L346 HydrophobicContact CD2-CD2 4.09Å; Y324-L346 HydrophobicContact CE1-CD2 4.41Å; Y324-L346 HydrophobicContact CE2-CD2 3.55Å
347E87.2Confident85.2Confident116 Ų11672.1 Ų72.154%0.54236%0.357SS..EExtended strand (participates in β ladder)trans-140.3153.4175.764.6170.6-151.100112.6L300 T301L300-E347 CarbonylContact O-C 3.59Å; L300-E347 VanDerWaalsContact O-CA 3.24Å; L300-E347 WeakPolarHBondContact O-CA 3.49Å; T301-E347 HydrophobicContact CG2-CB 3.78Å
348Y88.8Confident85.3Confident66 Ų6675.2 Ų75.226%0.25938%0.376SS..EExtended strand (participates in β ladder)trans-150.4125.8176-178.4-109.8000112.3L300 I340 Y341 L350L300-Y348 HydrophobicContact CD1-CD1 4.41Å; L300-Y348 PolarHBondContact N-O 3.44Å; L300-Y348 PolarHBondContact O-N 3.29Å; I340-Y348 HydrophobicContact CD1-CD1 4.3Å; I340-Y348 HydrophobicContact CD1-CE1 4.05Å; Y341-Y348 AromaticContact CD2-CD2 3.29Å; Y341-Y348 HydrophobicContact CD2-CD2 3.29Å; Y341-Y348 AromaticContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CG 4.05Å; Y341-Y348 AromaticContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CE2 4.46Å; Y341-Y348 AromaticContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CE2 4.25Å; Y341-Y348 HydrophobicContact CG-CG 4.17Å; Y348-L350 HydrophobicContact CD1-CB 3.93Å; Y348-L350 HydrophobicContact CE1-CB 3.82Å; Y348-L350 HydrophobicContact CE1-CD1 4.14Å; Y348-L350 PolarHBondContact O-N 3Å
349N88.4Confident85.3Confident72 Ų7268.6 Ų68.639%0.38535%0.347SS..EExtended strand (participates in β ladder)trans-87.797.4174-169.1-60.7000109.8V298 L299 K351V298-N349 CarbonylContact O-C 3.6Å; L299-N349 HydrophobicContact CD1-CB 4.27Å; N349-K351 WeakPolarHBondContact OD1-CE 3.31Å; N349-K351 WeakPolarHBondContact OD1-CG 3.36Å
350L87.3Confident85.4Confident9 Ų966.9 Ų66.95%0.04734%0.337CS..EExtended strand (participates in β ladder)trans-81.9125.4-178.7168.360.2000110T297 V298 L300 L328 I340 Y348 L353 F380T297-L350 CarbonylContact C-O 3.56Å; T297-L350 VanDerWaalsContact CA-O 3.26Å; T297-L350 WeakPolarHBondContact CA-O 3.26Å; V298-L350 HydrophobicContact CG1-CB 3.83Å; V298-L350 HydrophobicContact CG1-CD2 3.97Å; V298-L350 HydrophobicContact CG1-CG 4.12Å; V298-L350 PolarHBondContact N-O 3.02Å; V298-L350 PolarHBondContact O-N 2.98Å; L300-L350 HydrophobicContact CD1-CB 4.06Å; L300-L350 HydrophobicContact CD1-CD2 3.89Å; L328-L350 HydrophobicContact CD1-CD2 3.82Å; L328-L350 HydrophobicContact CD2-CD1 4.19Å; L328-L350 HydrophobicContact CD2-CD2 3.95Å; L328-L350 HydrophobicContact CG-CD2 4.48Å; I340-L350 HydrophobicContact CD1-CD1 3.88Å; I340-L350 HydrophobicContact CD1-CD2 3.87Å; I340-L350 HydrophobicContact CD1-CG 4.36Å; Y348-L350 HydrophobicContact CD1-CB 3.93Å; Y348-L350 HydrophobicContact CE1-CB 3.82Å; Y348-L350 HydrophobicContact CE1-CD1 4.14Å; Y348-L350 PolarHBondContact O-N 3Å; L350-L353 HydrophobicContact CD1-CD2 4.05Å; L350-L353 HydrophobicContact CD2-CD1 4.27Å; L350-L353 HydrophobicContact CD2-CD2 3.94Å; L350-L353 HydrophobicContact CG-CD1 4.16Å; L350-L353 HydrophobicContact CG-CD2 3.83Å; L350-L353 HydrophobicContact CG-CG 4.15Å; L350-F380 HydrophobicContact CD2-CZ 4.31Å
351K85.1Confident85.4Confident123 Ų12364.9 Ų64.954%0.53533%0.327SS..  trans-122.5178.6-174.4-56.1-178.1-175.2173.20111.6R296 T297 N349 L353R296-K351 CarbonylContact O-C 3.46Å; T297-K351 HydrophobicContact CG2-CB 4.14Å; T297-K351 HydrophobicContact CG2-CG 3.9Å; N349-K351 WeakPolarHBondContact OD1-CE 3.31Å; N349-K351 WeakPolarHBondContact OD1-CG 3.36Å; K351-L353 PolarHBondContact O-N 2.85Å
352D82.5Confident85.5Confident155 Ų15566.1 Ų66.183%0.82933%0.331SS*.SBendtrans55.930.2179.1-55.6-40.7000114.4R296R296-D352 PolarHBondContact O-N 3.22Å
353L84.3Confident85.6Confident7 Ų762.5 Ų62.54%0.03731%0.306CS..PPolyproline II helixtrans-70.9153.8171.7-58.8179.9000110.9R296 V298 L328 L350 K351 Y359 F380 T382R296-L353 WeakPolarHBondContact CA-O 3.3Å; R296-L353 WeakPolarHBondContact CB-O 3.35Å; R296-L353 VanDerWaalsContact CG-O 3.25Å; R296-L353 WeakPolarHBondContact CG-O 3.06Å; R296-L353 PolarHBondContact O-N 2.93Å; V298-L353 HydrophobicContact CB-CD1 4.34Å; V298-L353 HydrophobicContact CG1-CD1 3.9Å; L328-L353 HydrophobicContact CD2-CD2 4.25Å; L350-L353 HydrophobicContact CD1-CD2 4.05Å; L350-L353 HydrophobicContact CD2-CD1 4.27Å; L350-L353 HydrophobicContact CD2-CD2 3.94Å; L350-L353 HydrophobicContact CG-CD1 4.16Å; L350-L353 HydrophobicContact CG-CD2 3.83Å; L350-L353 HydrophobicContact CG-CG 4.15Å; K351-L353 PolarHBondContact O-N 2.85Å; L353-Y359 HydrophobicContact CB-CE2 3.86Å; L353-Y359 HydrophobicContact CD1-CD2 4.39Å; L353-Y359 HydrophobicContact CD1-CE2 4.42Å; L353-Y359 HydrophobicContact CD2-CD1 4.25Å; L353-Y359 HydrophobicContact CD2-CD2 4.26Å; L353-Y359 HydrophobicContact CD2-CE1 3.87Å; L353-Y359 HydrophobicContact CD2-CE2 3.88Å; L353-Y359 HydrophobicContact CD2-CG 4.42Å; L353-Y359 HydrophobicContact CG-CE2 4.29Å; L353-F380 HydrophobicContact CD1-CE2 3.71Å; L353-F380 HydrophobicContact CD1-CZ 3.85Å; L353-T382 HydrophobicContact CB-CG2 3.87Å; L353-T382 HydrophobicContact CD1-CG2 3.79Å
354R80.4Confident85.7Confident150 Ų15063.5 Ų63.557%0.56631%0.305SS*.PPolyproline II helixtrans-75.4139.5169.8-68-178.2-176.9130.23.9109.6A295 D330 T357 Y359 T382A295-R354 CarbonylContact O-C 3.59Å; D330-R354 IonicContact OD2-NH1 3.12Å; D330-R354 PolarHBondContact OD2-NH1 2.86Å; R354-T357 HydrophobicContact CB-CG2 4.34Å; R354-T357 VanDerWaalsContact CB-OG1 3.23Å; R354-T357 WeakPolarHBondContact CB-OG1 3.43Å; R354-Y359 PolarHBondContact N-OH 2.91Å; R354-T382 WeakPolarHBondContact O-CB 3.12Å; R354-T382 PolarHBondContact O-OG1 2.97Å
355P84.1Confident85.7Confident12 Ų1257.7 Ų57.78%0.07828%0.278CS..THydrogen-bonded Turntrans-58.5153.3167-26.137.1000112.7A295 R296 T357 H383 N413A295-P355 HydrophobicContact CB-CG 4.48Å; A295-P355 WeakPolarHBondContact O-CA 3.09Å; R296-P355 HydrophobicContact CG-CG 4.09Å; P355-T357 PolarHBondContact O-N 3.25Å; P355-T357 VanDerWaalsContact O-N 3.12Å; P355-T357 PolarHBondContact O-OG1 2.57Å; P355-H383 VanDerWaalsContact CA-O 3.29Å; P355-H383 WeakPolarHBondContact CA-O 3.44Å; P355-H383 WeakPolarHBondContact CB-O 3.44Å; P355-N413 HydrophobicContact CB-CB 4Å; P355-N413 WeakPolarHBondContact CB-O 3.2Å; P355-N413 HydrophobicContact CG-CB 3.98Å
356A82.4Confident85.6Confident45 Ų4553.1 Ų53.137%0.37226%0.257SS..THydrogen-bonded Turntrans45.242.2177.200000114.7T382 H383A356-T382 VanDerWaalsContact CA-O 3.28Å; A356-T382 WeakPolarHBondContact CA-O 3.05Å; A356-T382 PolarHBondContact N-O 3.43Å; A356-T382 PolarHBondContact N-OG1 2.66Å; A356-T382 VanDerWaalsContact N-OG1 3.12Å; A356-H383 PolarHBondContact N-O 2.83Å
357T82.2Confident85.5Confident31 Ų3150.6 Ų50.619%0.1924%0.243CC..  trans-126.1135.2-175-61.40000110.6R354 P355 Y359 T382R354-T357 HydrophobicContact CB-CG2 4.34Å; R354-T357 VanDerWaalsContact CB-OG1 3.23Å; R354-T357 WeakPolarHBondContact CB-OG1 3.43Å; P355-T357 PolarHBondContact O-N 3.25Å; P355-T357 VanDerWaalsContact O-N 3.12Å; P355-T357 PolarHBondContact O-OG1 2.57Å; T357-Y359 HydrophobicContact CG2-CD2 4.14Å; T357-Y359 HydrophobicContact CG2-CE1 4.49Å; T357-Y359 HydrophobicContact CG2-CE2 3.59Å; T357-Y359 WeakPolarHBondContact O-CD2 3.29Å; T357-T382 PolarHBondContact N-OG1 3.15Å; T357-T382 PolarHBondContact O-N 2.82Å; T357-T382 PolarHBondContact O-OG1 3.34Å
358D86.2Confident84.9Confident96 Ų9650.7 Ų50.751%0.51325%0.247SC..EExtended strand (participates in β ladder)trans-79.9130.9175.9-63.7-38.4000111.4T381D358-T381 WeakPolarHBondContact OD1-CB 3.38Å; D358-T381 WeakPolarHBondContact OD1-CG2 3.41Å; D358-T381 PolarHBondContact OD1-OG1 2.66Å
359Y86.5Confident84.4Confident15 Ų1553.5 Ų53.56%0.05928%0.276CS..EExtended strand (participates in β ladder)trans-129.3139.7-178.7-76-77.7000111.3L328 D330 L353 R354 T357 S379 F380 T382L328-Y359 HydrophobicContact CD1-CD1 3.76Å; L328-Y359 HydrophobicContact CD1-CG 4.23Å; L328-Y359 HydrophobicContact CD2-CD1 4.08Å; L328-Y359 HydrophobicContact CD2-CE1 4.24Å; L328-Y359 HydrophobicContact CG-CD1 4.02Å; D330-Y359 HydrophobicContact CB-CD1 4.04Å; D330-Y359 HydrophobicContact CB-CE1 3.72Å; L353-Y359 HydrophobicContact CB-CE2 3.86Å; L353-Y359 HydrophobicContact CD1-CD2 4.39Å; L353-Y359 HydrophobicContact CD1-CE2 4.42Å; L353-Y359 HydrophobicContact CD2-CD1 4.25Å; L353-Y359 HydrophobicContact CD2-CD2 4.26Å; L353-Y359 HydrophobicContact CD2-CE1 3.87Å; L353-Y359 HydrophobicContact CD2-CE2 3.88Å; L353-Y359 HydrophobicContact CD2-CG 4.42Å; L353-Y359 HydrophobicContact CG-CE2 4.29Å; R354-Y359 PolarHBondContact N-OH 2.91Å; T357-Y359 HydrophobicContact CG2-CD2 4.14Å; T357-Y359 HydrophobicContact CG2-CE1 4.49Å; T357-Y359 HydrophobicContact CG2-CE2 3.59Å; T357-Y359 WeakPolarHBondContact O-CD2 3.29Å; Y359-S379 CarbonylContact O-C 3.41Å; Y359-S379 VanDerWaalsContact O-CA 3.31Å; Y359-S379 WeakPolarHBondContact O-CA 3.3Å; Y359-F380 VanDerWaalsContact CB-CZ 3.43Å; Y359-F380 HydrophobicContact CD2-CE2 4.16Å; Y359-F380 HydrophobicContact CD2-CZ 4.27Å; Y359-F380 HydrophobicContact CG-CE2 4.38Å; Y359-F380 HydrophobicContact CG-CZ 4.05Å; Y359-F380 PolarHBondContact N-O 2.91Å; Y359-F380 PolarHBondContact O-N 2.84Å; Y359-T382 HydrophobicContact CD2-CG2 4.24Å; Y359-T382 HydrophobicContact CE2-CG2 4.21Å
360H87.6Confident84Confident27 Ų2751.1 Ų51.113%0.12526%0.264CS..EExtended strand (participates in β ladder)trans-117.2132.6177.8-64.5-96.5000110.6L328 S329 G332 Y337 V378L328-H360 CarbonylContact C-O 3.6Å; L328-H360 WeakPolarHBondContact CA-O 3.47Å; S329-H360 PolarHBondContact N-O 3.41Å; S329-H360 PolarHBondContact O-N 2.83Å; G332-H360 VanDerWaalsContact CA-CD2 3.48Å; G332-H360 WeakPolarHBondContact CA-CD2 3.44Å; G332-H360 WeakPolarHBondContact CA-NE2 3.18Å; Y337-H360 HydrophobicContact CE1-CB 3.94Å; H360-V378 CarbonylContact C-O 3.6Å; H360-V378 VanDerWaalsContact CA-O 3.3Å; H360-V378 WeakPolarHBondContact CA-O 3.24Å
361V87.8Confident83.7Confident0 Ų053.8 Ų53.80%028%0.276CS..EExtended strand (participates in β ladder)trans-127.4135.8-177.9173.10000111P288 L300 V326 A327 L328 P377 V378 F380P288-V361 HydrophobicContact CG-CG1 4.09Å; L300-V361 HydrophobicContact CD1-CG1 4.04Å; L300-V361 HydrophobicContact CD1-CG2 4.02Å; L300-V361 HydrophobicContact CD2-CB 4.45Å; L300-V361 HydrophobicContact CD2-CG1 4.34Å; L300-V361 HydrophobicContact CD2-CG2 4.13Å; V326-V361 HydrophobicContact CG1-CG1 3.64Å; A327-V361 WeakPolarHBondContact O-CA 3.46Å; L328-V361 HydrophobicContact CD1-CG2 3.44Å; L328-V361 VanDerWaalsContact CD1-CG2 3.44Å; V361-P377 CarbonylContact O-C 3.51Å; V361-P377 VanDerWaalsContact O-CA 3.23Å; V361-P377 WeakPolarHBondContact O-CA 3.45Å; V361-V378 HydrophobicContact CB-CG1 4Å; V361-V378 PolarHBondContact N-O 3.15Å; V361-V378 PolarHBondContact O-N 2.92Å; V361-F380 HydrophobicContact CG2-CE1 3.95Å
362R89.1Confident83.5Confident56 Ų5648.2 Ų48.221%0.21125%0.253CS..EExtended strand (participates in β ladder)trans-137.8159.8168.765-171.4-172-170-1.6110.3A327 Y337 Y364 C374 S375 P377A327-R362 HydrophobicContact CB-CG 4.12Å; A327-R362 PolarHBondContact N-O 3.34Å; A327-R362 PolarHBondContact O-N 3.44Å; Y337-R362 HydrophobicContact CD1-CG 3.92Å; Y337-R362 HydrophobicContact CE1-CG 3.99Å; Y337-R362 HydrophobicContact CG-CG 4.45Å; R362-Y364 PolarHBondContact NE-OH 3.06Å; R362-Y364 PolarHBondContact NH2-OH 2.68Å; R362-C374 HydrophobicContact CB-CB 4.41Å; R362-C374 HydrophobicContact CG-CB 4.18Å; R362-S375 WeakPolarHBondContact CB-O 3.42Å; R362-P377 HydrophobicContact CB-CB 4.25Å
363V88.3Confident83.5Confident0 Ų043.4 Ų43.40%024%0.235CC..EExtended strand (participates in β ladder)trans-127.2151.1-178.6-164.50000110M285 P288 W302 E325 V326 C374 S375M285-V363 HydrophobicContact CE-CB 4.06Å; M285-V363 HydrophobicContact CE-CG1 3.95Å; M285-V363 HydrophobicContact SD-CB 3.7Å; M285-V363 HydrophobicContact SD-CG1 4.14Å; P288-V363 HydrophobicContact CB-CG2 4.01Å; P288-V363 HydrophobicContact CG-CG2 4.01Å; W302-V363 HydrophobicContact CB-CG2 4.43Å; W302-V363 HydrophobicContact CD2-CG1 4.25Å; W302-V363 HydrophobicContact CD2-CG2 4.14Å; W302-V363 HydrophobicContact CE3-CG2 4.22Å; W302-V363 HydrophobicContact CG-CG1 4.28Å; W302-V363 HydrophobicContact CG-CG2 4.24Å; E325-V363 CarbonylContact O-C 3.58Å; E325-V363 VanDerWaalsContact O-CA 3.31Å; E325-V363 WeakPolarHBondContact O-CA 3.29Å; E325-V363 WeakPolarHBondContact O-CG1 3.49Å; V326-V363 HydrophobicContact CG1-CG2 4.34Å; V326-V363 HydrophobicContact CG2-CG1 4.1Å; V326-V363 HydrophobicContact CG2-CG2 4.11Å; V363-C374 WeakPolarHBondContact O-CA 3.24Å; V363-S375 PolarHBondContact N-OG 3.25Å; V363-S375 VanDerWaalsContact N-OG 3.14Å; V363-S375 PolarHBondContact O-N 2.87Å; V363-S375 PolarHBondContact O-OG 2.98Å
364Y86.6Confident83.4Confident38 Ų3845.2 Ų45.215%0.14925%0.248CC..EExtended strand (participates in β ladder)trans-118.6147.6172.5-55.6-97.2000110.2Y324 E325 A327 I339 R362 K371 C374Y324-Y364 VanDerWaalsContact CA-O 3.29Å; Y324-Y364 WeakPolarHBondContact CA-O 3.42Å; E325-Y364 HydrophobicContact CB-CD2 4.21Å; E325-Y364 PolarHBondContact N-O 3.42Å; E325-Y364 PolarHBondContact O-N 3.08Å; A327-Y364 HydrophobicContact CB-CE2 4.02Å; I339-Y364 HydrophobicContact CD1-CD2 4.44Å; I339-Y364 HydrophobicContact CD1-CE2 4.08Å; R362-Y364 PolarHBondContact NE-OH 3.06Å; R362-Y364 PolarHBondContact NH2-OH 2.68Å; Y364-K371 VanDerWaalsContact CB-CE 3.45Å; Y364-C374 HydrophobicContact CD1-CB 3.68Å; Y364-C374 HydrophobicContact CE1-CB 3.44Å; Y364-C374 VanDerWaalsContact CE1-CB 3.44Å; Y364-C374 HydrophobicContact CE2-CB 4.4Å; Y364-C374 HydrophobicContact CG-CB 4.28Å
365A84.4Confident83.6Confident0 Ų038.3 Ų38.30%022%0.222CC..EExtended strand (participates in β ladder)trans-103.5140.516800000111.1L282 M285 P305 Y324 G372L282-A365 HydrophobicContact CD2-CB 4.25Å; M285-A365 HydrophobicContact CE-CB 3.82Å; P305-A365 HydrophobicContact CG-CB 3.48Å; P305-A365 VanDerWaalsContact CG-CB 3.48Å; Y324-A365 HydrophobicContact CD1-CB 4.34Å; Y324-A365 HydrophobicContact CE1-CB 4.22Å; A365-G372 PolarHBondContact O-N 2.9Å
366I83.9Confident83.5Confident27 Ų2743.7 Ų43.714%0.13825%0.246CC..EExtended strand (participates in β ladder)trans-135.5132.2-175.1-54.7177.7000109.6T323 E325 V370 K371T323-I366 PolarHBondContact N-O 3.14Å; T323-I366 PolarHBondContact O-N 2.9Å; T323-I366 PolarHBondContact OG1-O 3.32Å; E325-I366 HydrophobicContact CG-CD1 3.82Å; I366-V370 WeakPolarHBondContact CA-O 3.38Å; I366-V370 WeakPolarHBondContact CG2-O 3.5Å; I366-K371 HydrophobicContact CD1-CD 3.85Å; I366-K371 HydrophobicContact CD1-CG 4.29Å; I366-K371 HydrophobicContact CG1-CB 4.08Å; I366-K371 HydrophobicContact CG1-CD 4Å; I366-K371 HydrophobicContact CG1-CG 3.88Å
367Y81.9Confident83.5Confident18 Ų1842.7 Ų42.77%0.07124%0.236CC..EExtended strand (participates in β ladder)trans-143.9131.9178.6-179.8-91.6000110.8V278 L318 P319 T321 S369 V370V278-Y367 HydrophobicContact CG1-CD1 4.17Å; L318-Y367 HydrophobicContact CB-CE1 3.95Å; L318-Y367 HydrophobicContact CD1-CD1 4.21Å; L318-Y367 HydrophobicContact CD1-CE1 3.76Å; L318-Y367 HydrophobicContact CD2-CE1 4.01Å; L318-Y367 HydrophobicContact CG-CE1 4.11Å; P319-Y367 VanDerWaalsContact CD-OH 3.23Å; P319-Y367 WeakPolarHBondContact CD-OH 3.28Å; P319-Y367 WeakPolarHBondContact CG-OH 3.48Å; P319-Y367 VanDerWaalsContact O-CE2 3.25Å; P319-Y367 WeakPolarHBondContact O-CE2 3.11Å; T321-Y367 WeakPolarHBondContact O-CD2 3.33Å; Y367-S369 PolarHBondContact O-N 2.71Å; Y367-S369 VanDerWaalsContact O-N 3.15Å; Y367-V370 PolarHBondContact N-O 2.94Å; Y367-V370 WeakPolarHBondContact O-CA 3.16Å; Y367-V370 WeakPolarHBondContact O-CB 3.33Å; Y367-V370 PolarHBondContact O-N 2.75Å
368N75.9Confident83.8Confident118 Ų11842.6 Ų42.663%0.63124%0.235SC*.THydrogen-bonded Turntrans42.547.1-176.9-73-2000114V370N368-V370 PolarHBondContact O-N 3.46Å; N368-V370 VanDerWaalsContact O-N 3.08Å
369S77.3Confident83.8Confident124 Ų12441.6 Ų41.687%0.86724%0.236SC*.THydrogen-bonded Turntrans63.9-2-175.5-49.30000116.6Y367Y367-S369 PolarHBondContact O-N 2.71Å; Y367-S369 VanDerWaalsContact O-N 3.15Å
370V79.6Confident83.8Confident22 Ų2241.4 Ų41.413%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-80.9135.1167.8-171.80000108.7T275 V278 Q279 L282 I366 Y367 N368T275-V370 HydrophobicContact CG2-CG1 4.45Å; T275-V370 HydrophobicContact CG2-CG2 3.72Å; V278-V370 HydrophobicContact CB-CG1 4.43Å; V278-V370 HydrophobicContact CG1-CB 4.15Å; V278-V370 HydrophobicContact CG1-CG1 4.26Å; V278-V370 HydrophobicContact CG1-CG2 4.33Å; Q279-V370 HydrophobicContact CB-CG1 3.69Å; Q279-V370 HydrophobicContact CG-CG1 4.23Å; L282-V370 HydrophobicContact CD1-CB 4.13Å; L282-V370 HydrophobicContact CD1-CG1 4.12Å; L282-V370 VanDerWaalsContact CD1-O 3.29Å; L282-V370 WeakPolarHBondContact CD1-O 3.23Å; I366-V370 WeakPolarHBondContact CA-O 3.38Å; I366-V370 WeakPolarHBondContact CG2-O 3.5Å; Y367-V370 PolarHBondContact N-O 2.94Å; Y367-V370 WeakPolarHBondContact O-CA 3.16Å; Y367-V370 WeakPolarHBondContact O-CB 3.33Å; Y367-V370 PolarHBondContact O-N 2.75Å; N368-V370 PolarHBondContact O-N 3.46Å; N368-V370 VanDerWaalsContact O-N 3.08Å
371K82.2Confident83.7Confident66 Ų6643.6 Ų43.629%0.28725%0.251SS..EExtended strand (participates in β ladder)trans-121.5124.2-177.4175.8163.4-175.1174.90110.9Q279 E325 Y364 I366Q279-K371 PolarHBondContact NE2-O 2.78Å; E325-K371 IonicContact OE2-NZ 3.14Å; E325-K371 PolarHBondContact OE2-NZ 3.03Å; Y364-K371 VanDerWaalsContact CB-CE 3.45Å; I366-K371 HydrophobicContact CD1-CD 3.85Å; I366-K371 HydrophobicContact CD1-CG 4.29Å; I366-K371 HydrophobicContact CG1-CB 4.08Å; I366-K371 HydrophobicContact CG1-CD 4Å; I366-K371 HydrophobicContact CG1-CG 3.88Å
372G81Confident83.6Confident5 Ų543.8 Ų43.85%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-73.2172.8173.700000113.2S283 A365S283-G372 WeakPolarHBondContact OG-CA 3.33Å; A365-G372 PolarHBondContact O-N 2.9Å
373A82.1Confident83.4Confident54 Ų5446.5 Ų46.545%0.44627%0.267SS..EExtended strand (participates in β ladder)trans-59161.8167.300000111.9S283S283-A373 PolarHBondContact OG-N 2.83Å
374C81.3Confident83.2Confident46 Ų4648.5 Ų48.531%0.31128%0.281SS..EExtended strand (participates in β ladder)trans-78.5148.7170480000111.5R362 V363 Y364R362-C374 HydrophobicContact CB-CB 4.41Å; R362-C374 HydrophobicContact CG-CB 4.18Å; V363-C374 WeakPolarHBondContact O-CA 3.24Å; Y364-C374 HydrophobicContact CD1-CB 3.68Å; Y364-C374 HydrophobicContact CE1-CB 3.44Å; Y364-C374 VanDerWaalsContact CE1-CB 3.44Å; Y364-C374 HydrophobicContact CE2-CB 4.4Å; Y364-C374 HydrophobicContact CG-CB 4.28Å
375S85.8Confident83.2Confident5 Ų547.7 Ų47.74%0.03528%0.28CS..PPolyproline II helixtrans-64.6160.516452.40000112.9M285 E286 R362 V363M285-S375 WeakPolarHBondContact O-CB 3.46Å; E286-S375 WeakPolarHBondContact O-CB 3.43Å; E286-S375 PolarHBondContact O-OG 2.83Å; R362-S375 WeakPolarHBondContact CB-O 3.42Å; V363-S375 PolarHBondContact N-OG 3.25Å; V363-S375 VanDerWaalsContact N-OG 3.14Å; V363-S375 PolarHBondContact O-N 2.87Å; V363-S375 PolarHBondContact O-OG 2.98Å
376E82Confident83.2Confident125 Ų12549.1 Ų49.158%0.58429%0.292SS*.PPolyproline II helixtrans-57.9131.8174.8-91.7-65133.100111.5K287 K333 V378K287-E376 HydrophobicContact CB-CB 4.22Å; K287-E376 WeakPolarHBondContact CB-O 3.31Å; K333-E376 IonicContact NZ-OE2 2.66Å; K333-E376 PolarHBondContact NZ-OE2 3.22Å; E376-V378 PolarHBondContact O-N 2.84Å
377P83.2Confident83.4Confident24 Ų2448.2 Ų48.216%0.15629%0.288CS..PPolyproline II helixtrans-73.5125.4-17527.3-34.2000112.8K333 Y337 V361 R362K333-P377 HydrophobicContact CD-CG 4.02Å; K333-P377 HydrophobicContact CG-CG 4.12Å; Y337-P377 HydrophobicContact CE1-CB 4.37Å; Y337-P377 WeakPolarHBondContact OH-CB 3.35Å; V361-P377 CarbonylContact O-C 3.51Å; V361-P377 VanDerWaalsContact O-CA 3.23Å; V361-P377 WeakPolarHBondContact O-CA 3.45Å; R362-P377 HydrophobicContact CB-CB 4.25Å
378V88.2Confident83.7Confident28 Ų2851.4 Ų51.417%0.1730%0.304CS..EExtended strand (participates in β ladder)trans-81.7153.7167.376.70000110.2P288 V290 H360 V361 E376P288-V378 HydrophobicContact CB-CG1 4.48Å; P288-V378 HydrophobicContact CG-CB 4.36Å; P288-V378 HydrophobicContact CG-CG1 3.78Å; P288-V378 WeakPolarHBondContact O-CB 3.29Å; V290-V378 HydrophobicContact CG2-CB 4.23Å; V290-V378 HydrophobicContact CG2-CG1 3.39Å; V290-V378 HydrophobicContact CG2-CG2 3.75Å; H360-V378 CarbonylContact C-O 3.6Å; H360-V378 VanDerWaalsContact CA-O 3.3Å; H360-V378 WeakPolarHBondContact CA-O 3.24Å; V361-V378 HydrophobicContact CB-CG1 4Å; V361-V378 PolarHBondContact N-O 3.15Å; V361-V378 PolarHBondContact O-N 2.92Å; E376-V378 PolarHBondContact O-N 2.84Å
379S86.1Confident84.3Confident75 Ų7549.1 Ų49.152%0.52430%0.296SS..EExtended strand (participates in β ladder)trans-130.9140.5-178.855.90000111.7Y359Y359-S379 CarbonylContact O-C 3.41Å; Y359-S379 VanDerWaalsContact O-CA 3.31Å; Y359-S379 WeakPolarHBondContact O-CA 3.3Å
380F86.6Confident84.9Confident11 Ų1143.3 Ų43.35%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-148.4157.4176.670.2-86.2000111.7V290 I293 V298 L300 L350 L353 Y359 V361 T382V290-F380 HydrophobicContact CG1-CB 3.9Å; V290-F380 HydrophobicContact CG1-CD1 3.84Å; V290-F380 HydrophobicContact CG1-CD2 4.41Å; V290-F380 HydrophobicContact CG1-CG 3.79Å; V290-F380 HydrophobicContact CG2-CD1 4.12Å; I293-F380 HydrophobicContact CD1-CB 3.95Å; I293-F380 HydrophobicContact CG1-CD2 4.38Å; I293-F380 HydrophobicContact CG2-CD2 4.36Å; V298-F380 HydrophobicContact CB-CE2 4.03Å; V298-F380 HydrophobicContact CB-CZ 4.32Å; V298-F380 HydrophobicContact CG1-CE1 4.29Å; V298-F380 HydrophobicContact CG1-CE2 3.83Å; V298-F380 HydrophobicContact CG1-CZ 3.61Å; V298-F380 HydrophobicContact CG2-CD2 4.24Å; V298-F380 HydrophobicContact CG2-CE2 4.16Å; L300-F380 HydrophobicContact CD2-CE1 4.39Å; L350-F380 HydrophobicContact CD2-CZ 4.31Å; L353-F380 HydrophobicContact CD1-CE2 3.71Å; L353-F380 HydrophobicContact CD1-CZ 3.85Å; Y359-F380 VanDerWaalsContact CB-CZ 3.43Å; Y359-F380 HydrophobicContact CD2-CE2 4.16Å; Y359-F380 HydrophobicContact CD2-CZ 4.27Å; Y359-F380 HydrophobicContact CG-CE2 4.38Å; Y359-F380 HydrophobicContact CG-CZ 4.05Å; Y359-F380 PolarHBondContact N-O 2.91Å; Y359-F380 PolarHBondContact O-N 2.84Å; V361-F380 HydrophobicContact CG2-CE1 3.95Å; F380-T382 HydrophobicContact CE2-CG2 4.23Å
381T84.3Confident85.4Confident73 Ų7350 Ų5045%0.44828%0.283SS..EExtended strand (participates in β ladder)trans-120.6126.2-179.1-45.20000109.5I293 D358I293-T381 WeakPolarHBondContact CG2-O 3.23Å; D358-T381 WeakPolarHBondContact OD1-CB 3.38Å; D358-T381 WeakPolarHBondContact OD1-CG2 3.41Å; D358-T381 PolarHBondContact OD1-OG1 2.66Å
382T85.2Confident85.7Confident5 Ų548.8 Ų48.83%0.03128%0.282CS..PPolyproline II helixtrans-70.2154.5176.148.60000112.4Q294 L353 R354 A356 T357 Y359 F380Q294-T382 WeakPolarHBondContact O-CB 3.37Å; L353-T382 HydrophobicContact CB-CG2 3.87Å; L353-T382 HydrophobicContact CD1-CG2 3.79Å; R354-T382 WeakPolarHBondContact O-CB 3.12Å; R354-T382 PolarHBondContact O-OG1 2.97Å; A356-T382 VanDerWaalsContact CA-O 3.28Å; A356-T382 WeakPolarHBondContact CA-O 3.05Å; A356-T382 PolarHBondContact N-O 3.43Å; A356-T382 PolarHBondContact N-OG1 2.66Å; A356-T382 VanDerWaalsContact N-OG1 3.12Å; T357-T382 PolarHBondContact N-OG1 3.15Å; T357-T382 PolarHBondContact O-N 2.82Å; T357-T382 PolarHBondContact O-OG1 3.34Å; Y359-T382 HydrophobicContact CD2-CG2 4.24Å; Y359-T382 HydrophobicContact CE2-CG2 4.21Å; F380-T382 HydrophobicContact CE2-CG2 4.23Å
383H84.8Confident86.1Confident113 Ų11348.6 Ų48.652%0.52328%0.28SS..PPolyproline II helixtrans-72.8161.5175.6-60.4166000112.3I293 Q294 A295 P355 A356I293-H383 PolarHBondContact O-CE1 2.94Å; I293-H383 VanDerWaalsContact O-CE1 3.31Å; Q294-H383 PolarHBondContact O-N 3.14Å; A295-H383 VanDerWaalsContact CA-O 3.29Å; A295-H383 WeakPolarHBondContact CA-O 3.41Å; A295-H383 HydrophobicContact CB-CB 4.35Å; A295-H383 WeakPolarHBondContact CB-O 3.47Å; P355-H383 VanDerWaalsContact CA-O 3.29Å; P355-H383 WeakPolarHBondContact CA-O 3.44Å; P355-H383 WeakPolarHBondContact CB-O 3.44Å; A356-H383 PolarHBondContact N-O 2.83Å
384S85.2Confident86.3Confident42 Ų4253.3 Ų53.329%0.29429%0.29SS..PPolyproline II helixtrans-73.8162170.6-55.90000111.9N413 G414S384-N413 WeakPolarHBondContact CA-O 3.33Å; S384-N413 WeakPolarHBondContact CB-O 3.37Å; S384-G414 PolarHBondContact OG-O 2.89Å
385S85.9Confident86.5Confident20 Ų2054.7 Ų54.714%0.1430%0.298CS..  trans-135.4176.2172.776.90000112.7N413 N463S385-N413 PolarHBondContact N-O 3.46Å; S385-N413 VanDerWaalsContact N-O 3.09Å; S385-N413 VanDerWaalsContact OG-CB 3.23Å; S385-N413 WeakPolarHBondContact OG-CB 3.35Å; S385-N463 PolarHBondContact O-ND2 2.86Å
386A84.8Confident86.5Confident30 Ų3057.7 Ų57.725%0.24832%0.32CS..PPolyproline II helixtrans-56.9158.2165.800000111.6N413A386-N413 PolarHBondContact O-ND2 2.89Å
387P88.5Confident86.3Confident8 Ų857.3 Ų57.35%0.05232%0.318CS..PPolyproline II helixtrans-65.8162.6-176.4-2034.2000112.9P410 I411 I417 A461 N463 G466 S468P387-P410 HydrophobicContact CB-CG 4.43Å; P387-I411 WeakPolarHBondContact CA-O 3.3Å; P387-I417 HydrophobicContact CB-CD1 4.16Å; P387-I417 HydrophobicContact CB-CG1 4.1Å; P387-I417 HydrophobicContact CG-CD1 4.5Å; P387-I417 HydrophobicContact CG-CG1 3.92Å; P387-A461 HydrophobicContact CB-CB 4.23Å; P387-A461 HydrophobicContact CG-CB 4.48Å; P387-N463 HydrophobicContact CG-CB 3.86Å; P387-G466 WeakPolarHBondContact CD-O 3.38Å; P387-S468 WeakPolarHBondContact O-CB 3.39Å
388E88Confident86.4Confident86 Ų8661.4 Ų61.440%0.40233%0.33SS..PPolyproline II helixtrans-67.9156.4167.5-65.1-165.1146.700111.9P410 I411 N413 S468E388-P410 HydrophobicContact CB-CB 4.19Å; E388-P410 WeakPolarHBondContact O-CB 3.3Å; E388-P410 VanDerWaalsContact O-CG 3.25Å; E388-P410 WeakPolarHBondContact O-CG 3.3Å; E388-I411 HydrophobicContact CB-CB 4.49Å; E388-I411 HydrophobicContact CG-CB 4.06Å; E388-I411 PolarHBondContact N-O 2.83Å; E388-I411 WeakPolarHBondContact OE2-CD1 3.47Å; E388-N413 PolarHBondContact N-ND2 2.9Å; E388-S468 WeakPolarHBondContact O-CB 3.47Å
389C88.5Confident86Confident69 Ų6962.3 Ų62.347%0.46634%0.335SS..PPolyproline II helixtrans-58.2127172.8176.30000110.4Y470C389-Y470 VanDerWaalsContact SG-C 3.54Å; C389-Y470 PolarHBondContact SG-O 3.02Å
390P90.6Very high85.5Confident3 Ų363.3 Ų63.32%0.01933%0.331CS..PPolyproline II helixtrans-75.4154.7179.532.1-35.9000112.1P410 L459 S468 S471P390-P410 HydrophobicContact CB-CB 4.39Å; P390-P410 HydrophobicContact CB-CG 4.03Å; P390-L459 HydrophobicContact CB-CD2 3.92Å; P390-L459 HydrophobicContact CB-CG 4.3Å; P390-L459 HydrophobicContact CG-CB 4.19Å; P390-L459 HydrophobicContact CG-CD2 3.99Å; P390-L459 HydrophobicContact CG-CG 3.82Å; P390-L459 WeakPolarHBondContact CG-O 3.26Å; P390-S468 WeakPolarHBondContact CD-OG 3.28Å; P390-S471 WeakPolarHBondContact O-CB 3.24Å
391F89.1Confident85.1Confident163 Ų16365.8 Ų65.872%0.71535%0.349SS*.PPolyproline II helixtrans-65.9149.9169-68.1-77.4000111.2
392P88.1Confident85Confident39 Ų3962.7 Ų62.725%0.25333%0.331SS..PPolyproline II helixtrans-55142.2179.5-26.735000113Q472 V474P392-Q472 HydrophobicContact CG-CB 3.88Å; P392-Q472 WeakPolarHBondContact CG-O 3.18Å; P392-V474 HydrophobicContact CB-CB 4.21Å; P392-V474 HydrophobicContact CB-CG1 4.03Å
393P89.6Confident85.1Confident1 Ų162.5 Ų62.51%0.00633%0.329CS..PPolyproline II helixtrans-64.7146.2178.628.7-35.3000111L405 W407 L422 F457 L459 V474P393-L405 HydrophobicContact CB-CB 4.27Å; P393-W407 HydrophobicContact CB-CE3 3.99Å; P393-L422 HydrophobicContact CB-CD1 4.27Å; P393-L422 HydrophobicContact CG-CD1 3.85Å; P393-F457 HydrophobicContact CG-CB 4.01Å; P393-L459 HydrophobicContact CG-CB 4.5Å; P393-V474 HydrophobicContact CG-CG1 3.86Å; P393-V474 WeakPolarHBondContact O-CG1 3.43Å
394K86.2Confident85.3Confident153 Ų15358.2 Ų58.267%0.66531%0.311SS*.EExtended strand (participates in β ladder)trans-112.5138.6-179.8-63.5-168.8176.7-168.20111.3S396 L405 Q406K394-S396 PolarHBondContact O-N 3.25Å; K394-L405 CarbonylContact O-C 3.53Å; K394-L405 WeakPolarHBondContact O-CA 3.31Å; K394-Q406 PolarHBondContact N-O 3.04Å; K394-Q406 PolarHBondContact O-N 3.21Å
395P86.7Confident85.6Confident75 Ų7556.2 Ų56.249%0.48730%0.297SS..EExtended strand (participates in β ladder)trans-68.8125.617228.7-32.2000110T404 L405P395-T404 WeakPolarHBondContact CA-O 3.24Å; P395-L405 HydrophobicContact CB-CD2 4.3Å
396S84.7Confident85.8Confident69 Ų6960.4 Ų60.448%0.48331%0.314SS..EExtended strand (participates in β ladder)trans-103.1-30.3175.358.80000112.5K394 T404K394-S396 PolarHBondContact O-N 3.25Å; S396-T404 PolarHBondContact N-O 2.97Å; S396-T404 PolarHBondContact OG-O 3.38Å
397H77.9Confident86.2Confident117 Ų11759.8 Ų59.854%0.54231%0.305SS..EExtended strand (participates in β ladder)trans-150.9127.1175.2-168.7-34.6000110.1T404H397-T404 PolarHBondContact O-N 3.29Å
398R84.4Confident86.2Confident110 Ų11067.3 Ų67.342%0.41534%0.337SS..EExtended strand (participates in β ladder)trans-108.2151.6168.768.8174.5-170.5-113.35.4111.4L403 Y477 A479 E562R398-L403 HydrophobicContact CB-CD2 3.8Å; R398-Y477 WeakPolarHBondContact CD-O 3.46Å; R398-A479 HydrophobicContact CG-CB 4.11Å; R398-E562 IonicContact CZ-OE1 2.59Å; R398-E562 VanDerWaalsContact CZ-OE1 3.27Å; R398-E562 IonicContact NE-OE1 2.65Å; R398-E562 PolarHBondContact NE-OE1 3.37Å; R398-E562 IonicContact NE-OE2 2.97Å; R398-E562 IonicContact NH2-OE1 3.95Å; R398-E562 PolarHBondContact NH2-OE1 3.16Å; R398-E562 IonicContact NH2-OE2 3.37Å
399T80.2Confident86.2Confident46 Ų4665.2 Ų65.228%0.28234%0.335SS..  trans-136.9178.4162.478.10000108S401 S402 T478 A479T399-S401 PolarHBondContact O-N 2.93Å; T399-S401 VanDerWaalsContact O-N 3.13Å; T399-S401 PolarHBondContact OG1-N 2.85Å; T399-S402 WeakPolarHBondContact CG2-OG 3.43Å; T399-S402 PolarHBondContact N-O 2.87Å; T399-S402 PolarHBondContact OG1-N 3.03Å; T399-S402 PolarHBondContact OG1-OG 2.69Å; T399-T478 WeakPolarHBondContact O-CB 3.14Å; T399-A479 VanDerWaalsContact C-CB 3.41Å; T399-A479 PolarHBondContact O-N 2.89Å
400K75.2Confident86.2Confident97 Ų9762.8 Ų62.842%0.42232%0.319SS..SBendtrans-62.3-17.1177.1-56.2-166.5-173.6-170.40113.6C450 P451 A479 G480 N481K400-C450 CarbonylContact O-C 3.51Å; K400-P451 HydrophobicContact CB-CB 4.23Å; K400-P451 HydrophobicContact CB-CG 4.23Å; K400-P451 WeakPolarHBondContact O-CA 3.48Å; K400-P451 WeakPolarHBondContact O-CG 3.1Å; K400-A479 HydrophobicContact CG-CB 4.27Å; K400-G480 WeakPolarHBondContact CE-O 3.5Å; K400-N481 PolarHBondContact NZ-OD1 2.84Å
401S78.1Confident86.1Confident63 Ų6367.5 Ų67.544%0.44134%0.342SS..SBendtrans-140.413.5-176.761.50000115.3T399 T447 K448 L449T399-S401 PolarHBondContact O-N 2.93Å; T399-S401 VanDerWaalsContact O-N 3.13Å; T399-S401 PolarHBondContact OG1-N 2.85Å; S401-T447 CarbonylContact O-C 3.53Å; S401-T447 WeakPolarHBondContact O-CA 3.49Å; S401-K448 PolarHBondContact O-N 2.99Å; S401-L449 VanDerWaalsContact CA-O 3.32Å; S401-L449 WeakPolarHBondContact CA-O 3.17Å; S401-L449 WeakPolarHBondContact CB-O 3.49Å; S401-L449 PolarHBondContact O-N 2.89Å
402S83.4Confident85.9Confident8 Ų862.8 Ų62.86%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-149.9142.117771.70000113.4T399 L446T399-S402 WeakPolarHBondContact CG2-OG 3.43Å; T399-S402 PolarHBondContact N-O 2.87Å; T399-S402 PolarHBondContact OG1-N 3.03Å; T399-S402 PolarHBondContact OG1-OG 2.69Å; S402-L446 CarbonylContact C-O 3.46Å; S402-L446 WeakPolarHBondContact CA-O 3.19Å; S402-L446 WeakPolarHBondContact CB-O 3.39Å
403L86.5Confident85.8Confident1 Ų161.5 Ų61.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-119130169.9-80.8171.2000109.8R398 L446 L449 Y455 F457 C476 T478R398-L403 HydrophobicContact CB-CD2 3.8Å; L403-L446 PolarHBondContact N-O 3.19Å; L403-L446 PolarHBondContact O-N 3.08Å; L403-L449 HydrophobicContact CB-CD1 3.79Å; L403-L449 HydrophobicContact CD1-CD1 3.83Å; L403-L449 HydrophobicContact CG-CD1 3.78Å; L403-Y455 HydrophobicContact CD1-CD2 4.26Å; L403-F457 HydrophobicContact CD1-CE2 4.04Å; L403-F457 HydrophobicContact CD1-CZ 4.19Å; L403-C476 HydrophobicContact CD1-CB 3.98Å; L403-C476 HydrophobicContact CD2-CB 4.41Å; L403-T478 HydrophobicContact CD1-CG2 4.42Å; L403-T478 HydrophobicContact CG-CG2 4.19Å
404T89.4Confident85.2Confident22 Ų2263.5 Ų63.514%0.13534%0.336CS..EExtended strand (participates in β ladder)trans-106.4115.6170.8-45.70000108.5P395 S396 H397 C444 K445P395-T404 WeakPolarHBondContact CA-O 3.24Å; S396-T404 PolarHBondContact N-O 2.97Å; S396-T404 PolarHBondContact OG-O 3.38Å; H397-T404 PolarHBondContact O-N 3.29Å; T404-C444 CarbonylContact C-O 3.58Å; T404-C444 WeakPolarHBondContact CA-O 3.32Å; T404-K445 HydrophobicContact CG2-CB 4.23Å
405L91Very high85.1Confident0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-105.6142.6-179.4-67.7173000109.7P393 K394 P395 W407 L422 H443 C444 L446 F457 C476P393-L405 HydrophobicContact CB-CB 4.27Å; K394-L405 CarbonylContact O-C 3.53Å; K394-L405 WeakPolarHBondContact O-CA 3.31Å; P395-L405 HydrophobicContact CB-CD2 4.3Å; L405-W407 HydrophobicContact CB-CZ3 4.22Å; L405-L422 HydrophobicContact CD1-CD2 4.06Å; L405-H443 CarbonylContact O-C 3.56Å; L405-H443 WeakPolarHBondContact O-CA 3.46Å; L405-H443 WeakPolarHBondContact O-CB 3.44Å; L405-C444 PolarHBondContact N-O 3.17Å; L405-C444 PolarHBondContact O-N 2.82Å; L405-L446 HydrophobicContact CD1-CD1 4.31Å; L405-F457 HydrophobicContact CD1-CB 4.32Å; L405-F457 HydrophobicContact CD1-CD1 3.52Å; L405-F457 HydrophobicContact CD1-CD2 3.81Å; L405-F457 HydrophobicContact CD1-CE1 3.7Å; L405-F457 HydrophobicContact CD1-CE2 3.96Å; L405-F457 HydrophobicContact CD1-CG 3.58Å; L405-F457 HydrophobicContact CD1-CZ 3.91Å; L405-C476 HydrophobicContact CD2-CB 4.48Å
406Q91.5Very high85.1Confident108 Ų10861.1 Ų61.151%0.50532%0.32SS..EExtended strand (participates in β ladder)trans-138.9143.8-178.8-173.3176.821.800110.9K394 H443K394-Q406 PolarHBondContact N-O 3.04Å; K394-Q406 PolarHBondContact O-N 3.21Å; Q406-H443 HydrophobicContact CB-CB 4.22Å; Q406-H443 HydrophobicContact CG-CB 4.21Å
407W92.9Very high85.2Confident17 Ų1759.5 Ų59.56%0.06431%0.306CS..  trans-138.3171.7-177.850.696.1000112.4P393 L405 Y420 L422 Y437 Q441 K442 C444 L459P393-W407 HydrophobicContact CB-CE3 3.99Å; L405-W407 HydrophobicContact CB-CZ3 4.22Å; W407-Y420 AromaticContact CD1-CD1 3.83Å; W407-Y420 HydrophobicContact CZ2-CG 4.4Å; W407-Y420 AromaticContact NE1-CD1 3.39Å; W407-Y420 AromaticContact NE1-CD2 3.52Å; W407-Y420 AromaticContact NE1-CE1 3.88Å; W407-Y420 AromaticContact NE1-CG 3.2Å; W407-L422 HydrophobicContact CH2-CD2 4.11Å; W407-L422 HydrophobicContact CZ3-CD2 3.98Å; W407-Y437 AromaticContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CE1 4.01Å; W407-Y437 HydrophobicContact CZ2-CD1 4.07Å; W407-Y437 AromaticContact CZ2-CE1 3.75Å; W407-Y437 HydrophobicContact CZ2-CE1 3.75Å; W407-Q441 WeakPolarHBondContact CZ2-O 3.12Å; W407-K442 PolarHBondContact N-O 3.1Å; W407-C444 HydrophobicContact CH2-CB 3.82Å; W407-C444 HydrophobicContact CZ3-CB 4.15Å; W407-L459 HydrophobicContact CB-CD2 3.55Å; W407-L459 HydrophobicContact CD2-CD1 4.01Å; W407-L459 HydrophobicContact CD2-CD2 3.8Å; W407-L459 HydrophobicContact CE3-CD1 4.44Å; W407-L459 HydrophobicContact CE3-CD2 4.45Å; W407-L459 HydrophobicContact CG-CD1 4.39Å; W407-L459 HydrophobicContact CG-CD2 3.38Å; W407-L459 HydrophobicContact CH2-CD1 4.5Å; W407-L459 HydrophobicContact CZ2-CD1 4.08Å
408K88.6Confident85.8Confident166 Ų16657 Ų5772%0.72230%0.299SS*.  trans-102.7156.1170-68-172.7177.4-175.20109.3
409A87.8Confident86.1Confident43 Ų4352.1 Ų52.136%0.35528%0.281SS..  trans-69.1136.1169.700000109.9I417 Y420A409-I417 HydrophobicContact CB-CD1 4.48Å; A409-Y420 VanDerWaalsContact CB-OH 3.28Å; A409-Y420 WeakPolarHBondContact CB-OH 3.45Å
410P88.6Confident86.7Confident18 Ų1850.3 Ų50.312%0.11727%0.269CS..  trans-72.1178.4162.630.5-31000111P387 E388 P390 I417 A461P387-P410 HydrophobicContact CB-CG 4.43Å; E388-P410 HydrophobicContact CB-CB 4.19Å; E388-P410 WeakPolarHBondContact O-CB 3.3Å; E388-P410 VanDerWaalsContact O-CG 3.25Å; E388-P410 WeakPolarHBondContact O-CG 3.3Å; P390-P410 HydrophobicContact CB-CB 4.39Å; P390-P410 HydrophobicContact CB-CG 4.03Å; P410-I417 HydrophobicContact CG-CD1 3.7Å; P410-I417 WeakPolarHBondContact O-CD1 3.25Å; P410-A461 HydrophobicContact CG-CB 3.56Å
411I87.3Confident87.5Confident101 Ų10146.9 Ų46.952%0.51826%0.256SS..  trans-69.4135.3172-58.5-177.8000109P387 E388P387-I411 WeakPolarHBondContact CA-O 3.3Å; E388-I411 HydrophobicContact CB-CB 4.49Å; E388-I411 HydrophobicContact CG-CB 4.06Å; E388-I411 PolarHBondContact N-O 2.83Å; E388-I411 WeakPolarHBondContact OE2-CD1 3.47Å
412D85.8Confident88.2Confident64 Ų6443.9 Ų43.934%0.34224%0.235SC..  trans-88-8.8-170.472.2-0.8000114.2G414 S415 I417 N463D412-G414 PolarHBondContact O-N 3.04Å; D412-G414 PolarHBondContact OD1-N 2.94Å; D412-S415 WeakPolarHBondContact CB-O 3.42Å; D412-S415 PolarHBondContact O-N 2.84Å; D412-I417 HydrophobicContact CB-CD1 4.22Å; D412-I417 HydrophobicContact CB-CG1 3.85Å; D412-N463 PolarHBondContact O-ND2 2.91Å
413N85.3Confident88.6Confident12 Ų1244.9 Ų44.96%0.06424%0.238CC..THydrogen-bonded Turntrans51.835.6179.1-65.5-45.3000113.9P355 S384 S385 A386 E388P355-N413 HydrophobicContact CB-CB 4Å; P355-N413 WeakPolarHBondContact CB-O 3.2Å; P355-N413 HydrophobicContact CG-CB 3.98Å; S384-N413 WeakPolarHBondContact CA-O 3.33Å; S384-N413 WeakPolarHBondContact CB-O 3.37Å; S385-N413 PolarHBondContact N-O 3.46Å; S385-N413 VanDerWaalsContact N-O 3.09Å; S385-N413 VanDerWaalsContact OG-CB 3.23Å; S385-N413 WeakPolarHBondContact OG-CB 3.35Å; A386-N413 PolarHBondContact O-ND2 2.89Å; E388-N413 PolarHBondContact N-ND2 2.9Å
414G77.9Confident88.8Confident43 Ų4346.6 Ų46.644%0.44325%0.245SC..THydrogen-bonded Turntrans90.4-3.4171.600000116S384 D412S384-G414 PolarHBondContact OG-O 2.89Å; D412-G414 PolarHBondContact O-N 3.04Å; D412-G414 PolarHBondContact OD1-N 2.94Å
415S84.6Confident88.6Confident13 Ų1347 Ų479%0.09125%0.246CC..SBendtrans-126.6128.7167.51640000108.9D412 I417 N463 D464D412-S415 WeakPolarHBondContact CB-O 3.42Å; D412-S415 PolarHBondContact O-N 2.84Å; S415-I417 PolarHBondContact O-N 3Å; S415-N463 WeakPolarHBondContact CB-ND2 3.31Å; S415-N463 VanDerWaalsContact O-CB 3.22Å; S415-N463 WeakPolarHBondContact O-CB 3.35Å; S415-N463 PolarHBondContact O-ND2 2.95Å; S415-D464 PolarHBondContact OG-N 3.06Å; S415-D464 PolarHBondContact OG-OD2 2.85Å
416K86.1Confident87.8Confident165 Ų16549.7 Ų49.772%0.71726%0.259SS*.  trans-62.5135.1-169.6-68.4177.2-179.2172.50111.2T418 N463K416-T418 PolarHBondContact O-N 2.98Å; K416-N463 VanDerWaalsContact O-CB 3.24Å; K416-N463 WeakPolarHBondContact O-CB 3.46Å
417I87.8Confident86.6Confident35 Ų3547.4 Ų47.418%0.17926%0.264CS..  trans-63.2118.9174.7-60.3173.1000109.5P387 A409 P410 D412 S415 S419 Y420 A461 Q462P387-I417 HydrophobicContact CB-CD1 4.16Å; P387-I417 HydrophobicContact CB-CG1 4.1Å; P387-I417 HydrophobicContact CG-CD1 4.5Å; P387-I417 HydrophobicContact CG-CG1 3.92Å; A409-I417 HydrophobicContact CB-CD1 4.48Å; P410-I417 HydrophobicContact CG-CD1 3.7Å; P410-I417 WeakPolarHBondContact O-CD1 3.25Å; D412-I417 HydrophobicContact CB-CD1 4.22Å; D412-I417 HydrophobicContact CB-CG1 3.85Å; S415-I417 PolarHBondContact O-N 3Å; I417-S419 WeakPolarHBondContact CG2-O 3.12Å; I417-Y420 HydrophobicContact CG2-CE1 3.98Å; I417-Y420 HydrophobicContact CG2-CE2 4.27Å; I417-A461 HydrophobicContact CD1-CB 4.32Å; I417-A461 HydrophobicContact CG2-CB 4.16Å; I417-Q462 CarbonylContact C-O 3.57Å; I417-Q462 VanDerWaalsContact CA-O 3.29Å; I417-Q462 WeakPolarHBondContact CA-O 3.42Å; I417-Q462 WeakPolarHBondContact CG2-O 3.49Å
418T89.3Confident85.2Confident65 Ų6552.5 Ų52.540%0.39929%0.287SS..  trans-93.6-35.8-177.949.40000112.1K416 S440 Q462 D464K416-T418 PolarHBondContact O-N 2.98Å; T418-S440 WeakPolarHBondContact O-CB 3.47Å; T418-Q462 PolarHBondContact N-O 2.82Å; T418-Q462 PolarHBondContact OG1-O 2.99Å; T418-D464 WeakPolarHBondContact CG2-OD1 3.46Å
419S90.1Very high83.6Confident7 Ų756.6 Ų56.65%0.04930%0.298CS..EExtended strand (participates in β ladder)trans-147.2165.3178.366.20000113.5I417 F438 Q462I417-S419 WeakPolarHBondContact CG2-O 3.12Å; S419-F438 VanDerWaalsContact OG-CE2 3.25Å; S419-F438 WeakPolarHBondContact OG-CE2 3.23Å; S419-F438 WeakPolarHBondContact OG-CZ 3.49Å; S419-Q462 PolarHBondContact N-O 2.84Å; S419-Q462 PolarHBondContact O-N 2.96Å; S419-Q462 PolarHBondContact OG-OE1 2.78Å
420Y93.2Very high82.1Confident8 Ų862.7 Ų62.73%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-119.1139166.2-58.3-83.9000109W407 A409 I417 F438 G439 Q441 K442 A460 A461W407-Y420 AromaticContact CD1-CD1 3.83Å; W407-Y420 HydrophobicContact CZ2-CG 4.4Å; W407-Y420 AromaticContact NE1-CD1 3.39Å; W407-Y420 AromaticContact NE1-CD2 3.52Å; W407-Y420 AromaticContact NE1-CE1 3.88Å; W407-Y420 AromaticContact NE1-CG 3.2Å; A409-Y420 VanDerWaalsContact CB-OH 3.28Å; A409-Y420 WeakPolarHBondContact CB-OH 3.45Å; I417-Y420 HydrophobicContact CG2-CE1 3.98Å; I417-Y420 HydrophobicContact CG2-CE2 4.27Å; Y420-F438 WeakPolarHBondContact O-CA 3.21Å; Y420-G439 PolarHBondContact N-O 2.79Å; Y420-G439 PolarHBondContact O-N 3.12Å; Y420-Q441 WeakPolarHBondContact CD2-O 3.33Å; Y420-K442 HydrophobicContact CE2-CG 3.77Å; Y420-K442 WeakPolarHBondContact OH-CE 3.16Å; Y420-A460 WeakPolarHBondContact CA-O 3.35Å; Y420-A461 HydrophobicContact CD1-CB 3.84Å; Y420-A461 HydrophobicContact CE1-CB 3.9Å
421L92.8Very high80.9Confident26 Ų2662.7 Ų62.714%0.13633%0.325CS..EExtended strand (participates in β ladder)trans-108.9114.2174.217354.5000108.5E423 E435 F438 L459 A460 Y470L421-E423 HydrophobicContact CD1-CG 4.46Å; L421-E423 HydrophobicContact CG-CG 4.49Å; L421-E435 HydrophobicContact CD1-CB 4.19Å; L421-E435 HydrophobicContact CD1-CG 3.68Å; L421-E435 WeakPolarHBondContact CD1-OE2 3.45Å; L421-F438 HydrophobicContact CB-CD2 4.04Å; L421-F438 HydrophobicContact CD1-CD2 4.2Å; L421-L459 CarbonylContact O-C 3.59Å; L421-L459 WeakPolarHBondContact O-CA 3.42Å; L421-A460 HydrophobicContact CB-CB 4.45Å; L421-A460 PolarHBondContact N-O 3.28Å; L421-A460 PolarHBondContact O-N 2.87Å; L421-Y470 HydrophobicContact CD2-CE1 4.27Å; L421-Y470 VanDerWaalsContact CD2-OH 3.25Å; L421-Y470 WeakPolarHBondContact CD2-OH 3.19Å; L421-Y470 HydrophobicContact CG-CE1 4.26Å
422L92.2Very high80.5Confident0 Ų059.4 Ų59.40%032%0.316CS..EExtended strand (participates in β ladder)trans-108.5117.2177.1179.873.9000109.2P393 L405 W407 C436 Y437 C444 F457 L459P393-L422 HydrophobicContact CB-CD1 4.27Å; P393-L422 HydrophobicContact CG-CD1 3.85Å; L405-L422 HydrophobicContact CD1-CD2 4.06Å; W407-L422 HydrophobicContact CH2-CD2 4.11Å; W407-L422 HydrophobicContact CZ3-CD2 3.98Å; L422-C436 PolarHBondContact O-N 3.23Å; L422-C436 PolarHBondContact O-SG 3.17Å; L422-Y437 HydrophobicContact CB-CD1 4.18Å; L422-Y437 PolarHBondContact N-O 3.38Å; L422-Y437 PolarHBondContact O-N 3Å; L422-C444 HydrophobicContact CD2-CB 4.05Å; L422-F457 HydrophobicContact CD1-CB 4.46Å; L422-L459 HydrophobicContact CB-CD1 4.05Å; L422-L459 HydrophobicContact CD1-CB 4.24Å; L422-L459 HydrophobicContact CD1-CD1 4.02Å
423E91.9Very high80.5Confident28 Ų2858.7 Ų58.713%0.13131%0.31CS..EExtended strand (participates in β ladder)trans-104.5153.9173.7-67.8-174.9153.900111.7L421 F433 R434 F457 R458 Y470L421-E423 HydrophobicContact CD1-CG 4.46Å; L421-E423 HydrophobicContact CG-CG 4.49Å; E423-F433 HydrophobicContact CB-CB 4.24Å; E423-F433 HydrophobicContact CB-CD1 4.12Å; E423-R434 CarbonylContact C-O 3.58Å; E423-R434 WeakPolarHBondContact CA-O 3.31Å; E423-R434 WeakPolarHBondContact CB-O 3.46Å; E423-F457 WeakPolarHBondContact O-CA 3.37Å; E423-R458 HydrophobicContact CB-CG 4.02Å; E423-R458 PolarHBondContact N-O 2.91Å; E423-R458 PolarHBondContact O-N 2.81Å; E423-R458 IonicContact OE2-CZ 2.77Å; E423-R458 IonicContact OE2-NE 3.15Å; E423-R458 PolarHBondContact OE2-NE 2.91Å; E423-R458 IonicContact OE2-NH2 2.66Å; E423-R458 PolarHBondContact OE2-NH2 3.11Å; E423-Y470 VanDerWaalsContact CD-CZ 3.41Å; E423-Y470 HydrophobicContact CG-CE1 4.12Å; E423-Y470 PolarHBondContact OE1-OH 2.96Å; E423-Y470 VanDerWaalsContact OE2-CZ 3.23Å; E423-Y470 PolarHBondContact OE2-OH 3.47Å
424W89.9Confident80.6Confident37 Ų3764.9 Ų64.914%0.1433%0.332CS..EExtended strand (participates in β ladder)trans-139.7155.9177.480-29.7000113.7E426 F433 R434 C436 L446 L449 Y455 T456 F457W424-E426 HydrophobicContact CH2-CG 4.26Å; W424-E426 HydrophobicContact CZ2-CG 4.08Å; W424-F433 CarbonylContact O-C 3.59Å; W424-F433 WeakPolarHBondContact O-CA 3.37Å; W424-R434 PolarHBondContact N-O 2.99Å; W424-R434 PolarHBondContact O-N 3.03Å; W424-C436 HydrophobicContact CB-CB 4.37Å; W424-C436 HydrophobicContact CD2-CB 4.18Å; W424-C436 HydrophobicContact CG-CB 3.79Å; W424-L446 HydrophobicContact CE3-CD1 4.2Å; W424-L449 HydrophobicContact CH2-CD2 3.53Å; W424-L449 HydrophobicContact CZ3-CD2 3.41Å; W424-L449 VanDerWaalsContact CZ3-CD2 3.41Å; W424-Y455 AromaticContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CE1 4.12Å; W424-Y455 HydrophobicContact CE3-CG 4.17Å; W424-Y455 HydrophobicContact CH2-CD1 4.12Å; W424-Y455 AromaticContact CH2-CE1 3.85Å; W424-Y455 HydrophobicContact CH2-CE1 3.85Å; W424-Y455 AromaticContact CZ3-CD1 3.22Å; W424-Y455 HydrophobicContact CZ3-CD1 3.22Å; W424-Y455 AromaticContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CG 4.02Å; W424-T456 CarbonylContact C-O 3.5Å; W424-T456 WeakPolarHBondContact CA-O 3.49Å; W424-F457 HydrophobicContact CB-CD1 3.45Å; W424-F457 VanDerWaalsContact CB-CD1 3.45Å; W424-F457 HydrophobicContact CB-CE1 3.34Å; W424-F457 HydrophobicContact CB-CG 4.48Å; W424-F457 HydrophobicContact CB-CZ 4.32Å; W424-F457 HydrophobicContact CD2-CE1 4.26Å; W424-F457 AromaticContact CE3-CE1 3.79Å; W424-F457 HydrophobicContact CE3-CE1 3.79Å; W424-F457 AromaticContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CG-CE1 4.15Å
425D86.3Confident81.1Confident30 Ų3068.4 Ų68.416%0.1634%0.337CS..EExtended strand (participates in β ladder)trans-122.5137.4166.2-163.9-26.3000109.4G427 S431 G432 F433 T456D425-G427 VanDerWaalsContact C-N 3.26Å; D425-G427 PolarHBondContact O-N 3.02Å; D425-G427 PolarHBondContact OD1-N 2.99Å; D425-G427 VanDerWaalsContact OD1-N 3.11Å; D425-S431 WeakPolarHBondContact OD1-CB 3.49Å; D425-S431 PolarHBondContact OD1-OG 3.21Å; D425-G432 WeakPolarHBondContact OD2-CA 3.2Å; D425-G432 PolarHBondContact OD2-N 3.02Å; D425-F433 HydrophobicContact CB-CD1 4.32Å; D425-F433 HydrophobicContact CB-CE1 4.33Å; D425-T456 PolarHBondContact N-O 2.91Å; D425-T456 PolarHBondContact O-N 3.35Å
426E75.2Confident81.2Confident57 Ų5769.3 Ų69.327%0.26634%0.343SS..  trans-82.33.9179.8-58.6-172.7163.300113.7W424 K428 Y455W424-E426 HydrophobicContact CH2-CG 4.26Å; W424-E426 HydrophobicContact CZ2-CG 4.08Å; E426-K428 HydrophobicContact CB-CD 4.29Å; E426-K428 PolarHBondContact O-N 3.49Å; E426-K428 WeakPolarHBondContact OE2-CE 3.28Å; E426-K428 IonicContact OE2-NZ 2.7Å; E426-K428 PolarHBondContact OE2-NZ 3.5Å; E426-Y455 HydrophobicContact CB-CD1 4.44Å; E426-Y455 HydrophobicContact CB-CE1 4.28Å; E426-Y455 HydrophobicContact CG-CD1 4.42Å; E426-Y455 HydrophobicContact CG-CE1 4.17Å
427G66.1Low81.4Confident60 Ų6063.5 Ų63.562%0.61932%0.317SS*.SBendtrans71.814.3175.300000114.7D425D425-G427 VanDerWaalsContact C-N 3.26Å; D425-G427 PolarHBondContact O-N 3.02Å; D425-G427 PolarHBondContact OD1-N 2.99Å; D425-G427 VanDerWaalsContact OD1-N 3.11Å
428K63.3Low81.6Confident124 Ų12466.7 Ų66.754%0.53933%0.33SS..SBendtrans-85150.9175.4-63.3163.8-175.6167.90108.8E426 N430 S431E426-K428 HydrophobicContact CB-CD 4.29Å; E426-K428 PolarHBondContact O-N 3.49Å; E426-K428 WeakPolarHBondContact OE2-CE 3.28Å; E426-K428 IonicContact OE2-NZ 2.7Å; E426-K428 PolarHBondContact OE2-NZ 3.5Å; K428-N430 PolarHBondContact O-N 3.17Å; K428-S431 WeakPolarHBondContact CB-OG 3.44Å; K428-S431 PolarHBondContact N-OG 2.71Å; K428-S431 VanDerWaalsContact N-OG 3.1Å; K428-S431 PolarHBondContact O-N 3.24Å; K428-S431 VanDerWaalsContact O-N 3.12Å; K428-S431 PolarHBondContact O-OG 2.73Å
429R53.5Low81.5Confident253 Ų25364.4 Ų64.496%0.95532%0.319SS*.THydrogen-bonded Turntrans-58.3119.8177.4-74.9-173.6175.7-173.6-1109.6
430N56Low81.4Confident170 Ų17067.7 Ų67.791%0.90934%0.342SS*.THydrogen-bonded Turntrans62.526.6-177.2-56.8-3.2000116.2K428K428-N430 PolarHBondContact O-N 3.17Å
431S64.3Low81.3Confident18 Ų1872.5 Ų72.513%0.12637%0.365CS..  trans-69-40.8173.830.70000113.7D425 K428 R434D425-S431 WeakPolarHBondContact OD1-CB 3.49Å; D425-S431 PolarHBondContact OD1-OG 3.21Å; K428-S431 WeakPolarHBondContact CB-OG 3.44Å; K428-S431 PolarHBondContact N-OG 2.71Å; K428-S431 VanDerWaalsContact N-OG 3.1Å; K428-S431 PolarHBondContact O-N 3.24Å; K428-S431 VanDerWaalsContact O-N 3.12Å; K428-S431 PolarHBondContact O-OG 2.73Å; S431-R434 PolarHBondContact O-NE 3.36Å; S431-R434 PolarHBondContact O-NH2 2.84Å
432G78.1Confident81.2Confident33 Ų3376.1 Ų76.134%0.3438%0.38SS..  trans72.4160.1176.800000113.8D425D425-G432 WeakPolarHBondContact OD2-CA 3.2Å; D425-G432 PolarHBondContact OD2-N 3.02Å
433F87.2Confident81Confident48 Ų4880.3 Ų80.321%0.21140%0.399CS..  trans-65.3135.5175.3-77.1-79.6000112E423 W424 D425 T456 R458 E473E423-F433 HydrophobicContact CB-CB 4.24Å; E423-F433 HydrophobicContact CB-CD1 4.12Å; W424-F433 CarbonylContact O-C 3.59Å; W424-F433 WeakPolarHBondContact O-CA 3.37Å; D425-F433 HydrophobicContact CB-CD1 4.32Å; D425-F433 HydrophobicContact CB-CE1 4.33Å; F433-T456 HydrophobicContact CE1-CG2 4.17Å; F433-T456 HydrophobicContact CZ-CG2 3.79Å; F433-R458 HydrophobicContact CD1-CG 3.8Å; F433-R458 VanDerWaalsContact CD2-CZ 3.48Å; F433-R458 VanDerWaalsContact CD2-NH1 3.27Å; F433-R458 HydrophobicContact CE1-CB 4.3Å; F433-R458 HydrophobicContact CE1-CG 3.8Å; F433-R458 HydrophobicContact CG-CG 4.39Å; F433-R458 VanDerWaalsContact CG-CZ 3.5Å; F433-R458 HydrophobicContact CZ-CG 4.39Å; F433-E473 VanDerWaalsContact CE2-CD 3.48Å; F433-E473 HydrophobicContact CE2-CG 4.28Å; F433-E473 WeakPolarHBondContact CE2-OE1 3.38Å; F433-E473 HydrophobicContact CZ-CB 4.47Å; F433-E473 HydrophobicContact CZ-CG 3.75Å
434R86.8Confident80.8Confident143 Ų14379.6 Ų79.654%0.5440%0.397SS..EExtended strand (participates in β ladder)trans-135.8147.9-179.8-60.8169.8-168.8-131.1-6.5109.1E423 W424 S431 C436E423-R434 CarbonylContact C-O 3.58Å; E423-R434 WeakPolarHBondContact CA-O 3.31Å; E423-R434 WeakPolarHBondContact CB-O 3.46Å; W424-R434 PolarHBondContact N-O 2.99Å; W424-R434 PolarHBondContact O-N 3.03Å; S431-R434 PolarHBondContact O-NE 3.36Å; S431-R434 PolarHBondContact O-NH2 2.84Å; R434-C436 PolarHBondContact O-N 2.84Å
435E89.4Confident80.8Confident117 Ų11784.2 Ų84.255%0.54742%0.418SS..EExtended strand (participates in β ladder)trans-58.5133.4169.9-176.7177.9120.200110.5L421L421-E435 HydrophobicContact CD1-CB 4.19Å; L421-E435 HydrophobicContact CD1-CG 3.68Å; L421-E435 WeakPolarHBondContact CD1-OE2 3.45Å
436C86.1Confident80.8Confident32 Ų3283.6 Ų83.622%0.21641%0.414CS..EExtended strand (participates in β ladder)trans-123.5-11.8170.169.40000113.1L422 W424 R434 L446L422-C436 PolarHBondContact O-N 3.23Å; L422-C436 PolarHBondContact O-SG 3.17Å; W424-C436 HydrophobicContact CB-CB 4.37Å; W424-C436 HydrophobicContact CD2-CB 4.18Å; W424-C436 HydrophobicContact CG-CB 3.79Å; R434-C436 PolarHBondContact O-N 2.84Å; C436-L446 HydrophobicContact CB-CD2 3.79Å
437Y90.8Very high81.3Confident42 Ų4284.8 Ų84.817%0.16543%0.426CS..EExtended strand (participates in β ladder)trans-162.7135.2171.3164.3-85.8000111.1W407 L422 G439 S440 Q441 C444W407-Y437 AromaticContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CE1 4.01Å; W407-Y437 HydrophobicContact CZ2-CD1 4.07Å; W407-Y437 AromaticContact CZ2-CE1 3.75Å; W407-Y437 HydrophobicContact CZ2-CE1 3.75Å; L422-Y437 HydrophobicContact CB-CD1 4.18Å; L422-Y437 PolarHBondContact N-O 3.38Å; L422-Y437 PolarHBondContact O-N 3Å; Y437-G439 WeakPolarHBondContact OH-CA 3.35Å; Y437-G439 PolarHBondContact OH-O 2.86Å; Y437-S440 PolarHBondContact OH-N 2.98Å; Y437-Q441 WeakPolarHBondContact OH-CA 3.35Å; Y437-Q441 VanDerWaalsContact OH-CB 3.28Å; Y437-Q441 WeakPolarHBondContact OH-CB 3.41Å; Y437-Q441 PolarHBondContact OH-N 2.95Å; Y437-Q441 PolarHBondContact OH-O 3.12Å; Y437-Q441 VanDerWaalsContact OH-O 3.13Å; Y437-C444 VanDerWaalsContact CB-SG 3.6Å; Y437-C444 HydrophobicContact CD1-CB 4.35Å; Y437-C444 HydrophobicContact CD2-CB 3.98Å; Y437-C444 HydrophobicContact CG-CB 3.84Å
438F90.3Very high82Confident103 Ų10391.4 Ų91.445%0.45244%0.437SS..EExtended strand (participates in β ladder)trans-129.8125.8166.7-177.9-96.9000109.9S419 Y420 L421S419-F438 VanDerWaalsContact OG-CE2 3.25Å; S419-F438 WeakPolarHBondContact OG-CE2 3.23Å; S419-F438 WeakPolarHBondContact OG-CZ 3.49Å; Y420-F438 WeakPolarHBondContact O-CA 3.21Å; L421-F438 HydrophobicContact CB-CD2 4.04Å; L421-F438 HydrophobicContact CD1-CD2 4.2Å
439G88.9Confident82.9Confident16 Ų1686 Ų8617%0.16541%0.414CS..EExtended strand (participates in β ladder)trans161.4176.7177.400000115.8Y420 Y437 Q441Y420-G439 PolarHBondContact N-O 2.79Å; Y420-G439 PolarHBondContact O-N 3.12Å; Y437-G439 WeakPolarHBondContact OH-CA 3.35Å; Y437-G439 PolarHBondContact OH-O 2.86Å; G439-Q441 PolarHBondContact O-N 2.81Å
440S87.8Confident83.9Confident77 Ų7776.9 Ų76.954%0.53839%0.389SS..SBendtrans-79.2-14-171.359.30000116.1T418 Y437T418-S440 WeakPolarHBondContact O-CB 3.47Å; Y437-S440 PolarHBondContact OH-N 2.98Å
441Q90.1Very high84.7Confident109 Ų10972.5 Ų72.551%0.50937%0.37SS..  trans-68.4145.4176.6-57.8-61.4-2700111.8W407 Y420 Y437 G439 H443W407-Q441 WeakPolarHBondContact CZ2-O 3.12Å; Y420-Q441 WeakPolarHBondContact CD2-O 3.33Å; Y437-Q441 WeakPolarHBondContact OH-CA 3.35Å; Y437-Q441 VanDerWaalsContact OH-CB 3.28Å; Y437-Q441 WeakPolarHBondContact OH-CB 3.41Å; Y437-Q441 PolarHBondContact OH-N 2.95Å; Y437-Q441 PolarHBondContact OH-O 3.12Å; Y437-Q441 VanDerWaalsContact OH-O 3.13Å; G439-Q441 PolarHBondContact O-N 2.81Å; Q441-H443 PolarHBondContact O-N 2.7Å
442K90.5Very high84.9Confident102 Ų10274.9 Ų74.944%0.44339%0.39SS..SBendtrans-90.720.4179.4-61.5175.4-174.6175.70113W407 Y420W407-K442 PolarHBondContact N-O 3.1Å; Y420-K442 HydrophobicContact CE2-CG 3.77Å; Y420-K442 WeakPolarHBondContact OH-CE 3.16Å
443H88.9Confident84.7Confident88 Ų8876.4 Ų76.441%0.40739%0.39SS..EExtended strand (participates in β ladder)trans-156.7155.2178.968.6-74.8000110.5L405 Q406 Q441L405-H443 CarbonylContact O-C 3.56Å; L405-H443 WeakPolarHBondContact O-CA 3.46Å; L405-H443 WeakPolarHBondContact O-CB 3.44Å; Q406-H443 HydrophobicContact CB-CB 4.22Å; Q406-H443 HydrophobicContact CG-CB 4.21Å; Q441-H443 PolarHBondContact O-N 2.7Å
444C88.3Confident84.3Confident12 Ų1274.9 Ų74.98%0.08139%0.388CS..EExtended strand (participates in β ladder)trans-140143.2172.7174.10000110.1T404 L405 W407 L422 Y437T404-C444 CarbonylContact C-O 3.58Å; T404-C444 WeakPolarHBondContact CA-O 3.32Å; L405-C444 PolarHBondContact N-O 3.17Å; L405-C444 PolarHBondContact O-N 2.82Å; W407-C444 HydrophobicContact CH2-CB 3.82Å; W407-C444 HydrophobicContact CZ3-CB 4.15Å; L422-C444 HydrophobicContact CD2-CB 4.05Å; Y437-C444 VanDerWaalsContact CB-SG 3.6Å; Y437-C444 HydrophobicContact CD1-CB 4.35Å; Y437-C444 HydrophobicContact CD2-CB 3.98Å; Y437-C444 HydrophobicContact CG-CB 3.84Å
445K88.8Confident84.1Confident135 Ų13568.4 Ų68.459%0.58736%0.364SS*.EExtended strand (participates in β ladder)trans-111.4104.4170.8-178.6175.7176.6178.30110.3T404 T447T404-K445 HydrophobicContact CG2-CB 4.23Å; K445-T447 HydrophobicContact CG-CG2 4.2Å
446L87.6Confident84Confident16 Ų1664.2 Ų64.28%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-81.1142.9172.7-58.2173.7000109.8S402 L403 L405 W424 C436 L449 F457S402-L446 CarbonylContact C-O 3.46Å; S402-L446 WeakPolarHBondContact CA-O 3.19Å; S402-L446 WeakPolarHBondContact CB-O 3.39Å; L403-L446 PolarHBondContact N-O 3.19Å; L403-L446 PolarHBondContact O-N 3.08Å; L405-L446 HydrophobicContact CD1-CD1 4.31Å; W424-L446 HydrophobicContact CE3-CD1 4.2Å; C436-L446 HydrophobicContact CB-CD2 3.79Å; L446-L449 HydrophobicContact CB-CD1 4.24Å; L446-L449 HydrophobicContact CB-CD2 4.47Å; L446-F457 HydrophobicContact CD1-CD1 4.3Å; L446-F457 HydrophobicContact CD1-CE1 3.25Å; L446-F457 HydrophobicContact CD1-CZ 3.65Å
447T84.4Confident84.3Confident82 Ų8262.7 Ų62.750%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-139.9171-176.3630000110.9S401 K445 L449S401-T447 CarbonylContact O-C 3.53Å; S401-T447 WeakPolarHBondContact O-CA 3.49Å; K445-T447 HydrophobicContact CG-CG2 4.2Å; T447-L449 VanDerWaalsContact C-N 3.27Å; T447-L449 PolarHBondContact O-N 2.89Å
448K80.5Confident84.3Confident199 Ų19963.4 Ų63.487%0.86534%0.338SS*.SBendtrans64.129.1-172.8-49.6177.9-178176.90113.4S401S401-K448 PolarHBondContact O-N 2.99Å
449L82.4Confident84.5Confident10 Ų1058.5 Ų58.55%0.05232%0.317CS..PPolyproline II helixtrans-80.8156.9178-52.2-167.4000111.3S401 L403 W424 L446 T447 Y455 T478S401-L449 VanDerWaalsContact CA-O 3.32Å; S401-L449 WeakPolarHBondContact CA-O 3.17Å; S401-L449 WeakPolarHBondContact CB-O 3.49Å; S401-L449 PolarHBondContact O-N 2.89Å; L403-L449 HydrophobicContact CB-CD1 3.79Å; L403-L449 HydrophobicContact CD1-CD1 3.83Å; L403-L449 HydrophobicContact CG-CD1 3.78Å; W424-L449 HydrophobicContact CH2-CD2 3.53Å; W424-L449 HydrophobicContact CZ3-CD2 3.41Å; W424-L449 VanDerWaalsContact CZ3-CD2 3.41Å; L446-L449 HydrophobicContact CB-CD1 4.24Å; L446-L449 HydrophobicContact CB-CD2 4.47Å; T447-L449 VanDerWaalsContact C-N 3.27Å; T447-L449 PolarHBondContact O-N 2.89Å; L449-Y455 HydrophobicContact CB-CE2 3.95Å; L449-Y455 HydrophobicContact CD1-CD2 4.36Å; L449-Y455 HydrophobicContact CD1-CE2 4.18Å; L449-Y455 HydrophobicContact CD2-CE1 4.36Å; L449-Y455 HydrophobicContact CG-CE2 4.44Å; L449-T478 HydrophobicContact CB-CG2 3.59Å; L449-T478 HydrophobicContact CD1-CG2 3.86Å; L449-T478 HydrophobicContact CG-CG2 4.37Å
450C75Confident84.7Confident63 Ų6357.8 Ų57.843%0.42631%0.309SS..PPolyproline II helixtrans-78.3141.3173.3-63.70000110.5K400 L453 Y455 T478K400-C450 CarbonylContact O-C 3.51Å; C450-L453 HydrophobicContact CB-CB 3.93Å; C450-L453 HydrophobicContact CB-CD2 3.86Å; C450-Y455 PolarHBondContact N-OH 2.96Å; C450-T478 WeakPolarHBondContact O-CB 3.49Å; C450-T478 WeakPolarHBondContact O-CG2 3.19Å; C450-T478 PolarHBondContact O-OG1 2.97Å
451P72.1Confident84.8Confident78 Ų7854.1 Ų54.151%0.50628%0.284SS..THydrogen-bonded Turntrans-62.8148.4172.7-19.731000112.6K400 L453K400-P451 HydrophobicContact CB-CB 4.23Å; K400-P451 HydrophobicContact CB-CG 4.23Å; K400-P451 WeakPolarHBondContact O-CA 3.48Å; K400-P451 WeakPolarHBondContact O-CG 3.1Å; P451-L453 PolarHBondContact O-N 3.37Å
452A68.3Low84.9Confident68 Ų6851.8 Ų51.856%0.56227%0.273SS*.THydrogen-bonded Turntrans51.91618000000116.7T478 A479A452-T478 PolarHBondContact N-OG1 2.98Å; A452-A479 PolarHBondContact N-O 2.73Å
453L75.6Confident84.9Confident64 Ų6447 Ų4734%0.33525%0.252SS..  trans-96.4137.9-179.6-169.463.4000111.1C450 P451 Y455 Y477 T478C450-L453 HydrophobicContact CB-CB 3.93Å; C450-L453 HydrophobicContact CB-CD2 3.86Å; P451-L453 PolarHBondContact O-N 3.37Å; L453-Y455 HydrophobicContact CB-CE2 3.97Å; L453-Y455 HydrophobicContact CD2-CE1 4.39Å; L453-Y455 HydrophobicContact CD2-CE2 4.23Å; L453-Y455 HydrophobicContact CG-CE2 4.2Å; L453-Y455 WeakPolarHBondContact O-CD2 3.47Å; L453-Y477 WeakPolarHBondContact O-CA 3.33Å; L453-T478 PolarHBondContact N-OG1 3.31Å; L453-T478 VanDerWaalsContact N-OG1 3.15Å; L453-T478 PolarHBondContact O-N 2.83Å; L453-T478 PolarHBondContact O-OG1 2.88Å
454G77.6Confident84.8Confident16 Ų1648.9 Ų48.917%0.16527%0.265CS..EExtended strand (participates in β ladder)trans-85.8131.317400000111.7Y477G454-Y477 VanDerWaalsContact CA-CD1 3.43Å
455Y83.1Confident84.7Confident7 Ų753.1 Ų53.13%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-120.3133.9176.9-66.9-91.8000109.4L403 W424 E426 L449 C450 L453 F457 V475 C476 T478L403-Y455 HydrophobicContact CD1-CD2 4.26Å; W424-Y455 AromaticContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CE1 4.12Å; W424-Y455 HydrophobicContact CE3-CG 4.17Å; W424-Y455 HydrophobicContact CH2-CD1 4.12Å; W424-Y455 AromaticContact CH2-CE1 3.85Å; W424-Y455 HydrophobicContact CH2-CE1 3.85Å; W424-Y455 AromaticContact CZ3-CD1 3.22Å; W424-Y455 HydrophobicContact CZ3-CD1 3.22Å; W424-Y455 AromaticContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CG 4.02Å; E426-Y455 HydrophobicContact CB-CD1 4.44Å; E426-Y455 HydrophobicContact CB-CE1 4.28Å; E426-Y455 HydrophobicContact CG-CD1 4.42Å; E426-Y455 HydrophobicContact CG-CE1 4.17Å; L449-Y455 HydrophobicContact CB-CE2 3.95Å; L449-Y455 HydrophobicContact CD1-CD2 4.36Å; L449-Y455 HydrophobicContact CD1-CE2 4.18Å; L449-Y455 HydrophobicContact CD2-CE1 4.36Å; L449-Y455 HydrophobicContact CG-CE2 4.44Å; C450-Y455 PolarHBondContact N-OH 2.96Å; L453-Y455 HydrophobicContact CB-CE2 3.97Å; L453-Y455 HydrophobicContact CD2-CE1 4.39Å; L453-Y455 HydrophobicContact CD2-CE2 4.23Å; L453-Y455 HydrophobicContact CG-CE2 4.2Å; L453-Y455 WeakPolarHBondContact O-CD2 3.47Å; Y455-F457 VanDerWaalsContact CB-CE2 3.49Å; Y455-F457 HydrophobicContact CG-CZ 4.45Å; Y455-F457 VanDerWaalsContact O-CD2 3.32Å; Y455-F457 WeakPolarHBondContact O-CD2 3.45Å; Y455-F457 VanDerWaalsContact O-CE2 3.24Å; Y455-F457 WeakPolarHBondContact O-CE2 3.2Å; Y455-V475 CarbonylContact O-C 3.48Å; Y455-V475 WeakPolarHBondContact O-CA 3.3Å; Y455-C476 PolarHBondContact N-O 3.27Å; Y455-C476 PolarHBondContact O-N 3.04Å; Y455-T478 HydrophobicContact CE2-CG2 4.17Å
456T88Confident84.6Confident29 Ų2947.7 Ų47.718%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-96.5134.3-178.3-51.50000110.2W424 D425 F433 E473 V474 V475W424-T456 CarbonylContact C-O 3.5Å; W424-T456 WeakPolarHBondContact CA-O 3.49Å; D425-T456 PolarHBondContact N-O 2.91Å; D425-T456 PolarHBondContact O-N 3.35Å; F433-T456 HydrophobicContact CE1-CG2 4.17Å; F433-T456 HydrophobicContact CZ-CG2 3.79Å; T456-E473 HydrophobicContact CG2-CB 3.92Å; T456-V474 CarbonylContact C-O 3.5Å; T456-V474 WeakPolarHBondContact CA-O 3.33Å; T456-V475 HydrophobicContact CG2-CG2 4.41Å
457F91.1Very high84.5Confident0 Ų050.1 Ų50.10%028%0.284CS..EExtended strand (participates in β ladder)trans-126.3146.7-175.4-62.9-79000113.1P393 L403 L405 L422 E423 W424 L446 Y455 E473 V474 C476P393-F457 HydrophobicContact CG-CB 4.01Å; L403-F457 HydrophobicContact CD1-CE2 4.04Å; L403-F457 HydrophobicContact CD1-CZ 4.19Å; L405-F457 HydrophobicContact CD1-CB 4.32Å; L405-F457 HydrophobicContact CD1-CD1 3.52Å; L405-F457 HydrophobicContact CD1-CD2 3.81Å; L405-F457 HydrophobicContact CD1-CE1 3.7Å; L405-F457 HydrophobicContact CD1-CE2 3.96Å; L405-F457 HydrophobicContact CD1-CG 3.58Å; L405-F457 HydrophobicContact CD1-CZ 3.91Å; L422-F457 HydrophobicContact CD1-CB 4.46Å; E423-F457 WeakPolarHBondContact O-CA 3.37Å; W424-F457 HydrophobicContact CB-CD1 3.45Å; W424-F457 VanDerWaalsContact CB-CD1 3.45Å; W424-F457 HydrophobicContact CB-CE1 3.34Å; W424-F457 HydrophobicContact CB-CG 4.48Å; W424-F457 HydrophobicContact CB-CZ 4.32Å; W424-F457 HydrophobicContact CD2-CE1 4.26Å; W424-F457 AromaticContact CE3-CE1 3.79Å; W424-F457 HydrophobicContact CE3-CE1 3.79Å; W424-F457 AromaticContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CG-CE1 4.15Å; L446-F457 HydrophobicContact CD1-CD1 4.3Å; L446-F457 HydrophobicContact CD1-CE1 3.25Å; L446-F457 HydrophobicContact CD1-CZ 3.65Å; Y455-F457 VanDerWaalsContact CB-CE2 3.49Å; Y455-F457 HydrophobicContact CG-CZ 4.45Å; Y455-F457 VanDerWaalsContact O-CD2 3.32Å; Y455-F457 WeakPolarHBondContact O-CD2 3.45Å; Y455-F457 VanDerWaalsContact O-CE2 3.24Å; Y455-F457 WeakPolarHBondContact O-CE2 3.2Å; F457-E473 CarbonylContact O-C 3.53Å; F457-E473 WeakPolarHBondContact O-CA 3.34Å; F457-V474 HydrophobicContact CB-CG1 4.09Å; F457-V474 PolarHBondContact N-O 2.84Å; F457-V474 PolarHBondContact O-N 3.05Å; F457-C476 HydrophobicContact CD2-CB 4.14Å; F457-C476 HydrophobicContact CE2-CB 3.93Å
458R92.4Very high84.8Confident58 Ų5846.9 Ų46.922%0.21927%0.265CS..EExtended strand (participates in β ladder)trans-143.2150.3168.368.6-172.9-170.8-171.13.8111.4E423 F433 Y470 E473E423-R458 HydrophobicContact CB-CG 4.02Å; E423-R458 PolarHBondContact N-O 2.91Å; E423-R458 PolarHBondContact O-N 2.81Å; E423-R458 IonicContact OE2-CZ 2.77Å; E423-R458 IonicContact OE2-NE 3.15Å; E423-R458 PolarHBondContact OE2-NE 2.91Å; E423-R458 IonicContact OE2-NH2 2.66Å; E423-R458 PolarHBondContact OE2-NH2 3.11Å; F433-R458 HydrophobicContact CD1-CG 3.8Å; F433-R458 VanDerWaalsContact CD2-CZ 3.48Å; F433-R458 VanDerWaalsContact CD2-NH1 3.27Å; F433-R458 HydrophobicContact CE1-CB 4.3Å; F433-R458 HydrophobicContact CE1-CG 3.8Å; F433-R458 HydrophobicContact CG-CG 4.39Å; F433-R458 VanDerWaalsContact CG-CZ 3.5Å; F433-R458 HydrophobicContact CZ-CG 4.39Å; R458-Y470 HydrophobicContact CG-CD1 3.94Å; R458-Y470 HydrophobicContact CG-CE1 4.5Å; R458-Y470 HydrophobicContact CG-CG 4.11Å; R458-E473 HydrophobicContact CB-CG 4.32Å; R458-E473 IonicContact NH1-OE1 2.73Å
459L93.8Very high85.3Confident0 Ų039.8 Ų39.80%025%0.248CC..EExtended strand (participates in β ladder)trans-130.8138.7-167.2179.673.2000111.2P390 P393 W407 L421 L422 Y470 S471P390-L459 HydrophobicContact CB-CD2 3.92Å; P390-L459 HydrophobicContact CB-CG 4.3Å; P390-L459 HydrophobicContact CG-CB 4.19Å; P390-L459 HydrophobicContact CG-CD2 3.99Å; P390-L459 HydrophobicContact CG-CG 3.82Å; P390-L459 WeakPolarHBondContact CG-O 3.26Å; P393-L459 HydrophobicContact CG-CB 4.5Å; W407-L459 HydrophobicContact CB-CD2 3.55Å; W407-L459 HydrophobicContact CD2-CD1 4.01Å; W407-L459 HydrophobicContact CD2-CD2 3.8Å; W407-L459 HydrophobicContact CE3-CD1 4.44Å; W407-L459 HydrophobicContact CE3-CD2 4.45Å; W407-L459 HydrophobicContact CG-CD1 4.39Å; W407-L459 HydrophobicContact CG-CD2 3.38Å; W407-L459 HydrophobicContact CH2-CD1 4.5Å; W407-L459 HydrophobicContact CZ2-CD1 4.08Å; L421-L459 CarbonylContact O-C 3.59Å; L421-L459 WeakPolarHBondContact O-CA 3.42Å; L422-L459 HydrophobicContact CB-CD1 4.05Å; L422-L459 HydrophobicContact CD1-CB 4.24Å; L422-L459 HydrophobicContact CD1-CD1 4.02Å; L459-Y470 CarbonylContact O-C 3.52Å; L459-Y470 WeakPolarHBondContact O-CA 3.49Å; L459-S471 PolarHBondContact N-OG 3.18Å; L459-S471 PolarHBondContact O-N 3.39Å
460A91.8Very high85.7Confident1 Ų143.2 Ų43.21%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-126.2162.8168.300000110.7Y420 L421 T467 Y470Y420-A460 WeakPolarHBondContact CA-O 3.35Å; L421-A460 HydrophobicContact CB-CB 4.45Å; L421-A460 PolarHBondContact N-O 3.28Å; L421-A460 PolarHBondContact O-N 2.87Å; A460-T467 HydrophobicContact CB-CG2 3.92Å; A460-Y470 HydrophobicContact CB-CD1 3.62Å; A460-Y470 HydrophobicContact CB-CE1 3.7Å; A460-Y470 HydrophobicContact CB-CG 4.43Å
461A91.4Very high86.4Confident0 Ų040.5 Ų40.50%024%0.243CC..EExtended strand (participates in β ladder)trans-126.1142.817700000110.3P387 P410 I417 Y420 S468P387-A461 HydrophobicContact CB-CB 4.23Å; P387-A461 HydrophobicContact CG-CB 4.48Å; P410-A461 HydrophobicContact CG-CB 3.56Å; I417-A461 HydrophobicContact CD1-CB 4.32Å; I417-A461 HydrophobicContact CG2-CB 4.16Å; Y420-A461 HydrophobicContact CD1-CB 3.84Å; Y420-A461 HydrophobicContact CE1-CB 3.9Å; A461-S468 PolarHBondContact N-OG 3.38Å; A461-S468 WeakPolarHBondContact O-CB 3.49Å; A461-S468 PolarHBondContact O-N 3.11Å; A461-S468 PolarHBondContact O-OG 3.06Å
462Q92.3Very high87.2Confident60 Ų6044.4 Ų44.428%0.2825%0.254SS..EExtended strand (participates in β ladder)trans-125.7140.4-175.8-177.7175.31.900111I417 T418 S419 G466 T467I417-Q462 CarbonylContact C-O 3.57Å; I417-Q462 VanDerWaalsContact CA-O 3.29Å; I417-Q462 WeakPolarHBondContact CA-O 3.42Å; I417-Q462 WeakPolarHBondContact CG2-O 3.49Å; T418-Q462 PolarHBondContact N-O 2.82Å; T418-Q462 PolarHBondContact OG1-O 2.99Å; S419-Q462 PolarHBondContact N-O 2.84Å; S419-Q462 PolarHBondContact O-N 2.96Å; S419-Q462 PolarHBondContact OG-OE1 2.78Å; Q462-G466 WeakPolarHBondContact CA-O 3.41Å; Q462-T467 HydrophobicContact CB-CG2 4.29Å; Q462-T467 WeakPolarHBondContact CG-OG1 3.34Å
463N89.9Confident88.3Confident2 Ų246.7 Ų46.71%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-125-173.6166.470.111.2000109.9S385 P387 D412 S415 K416 I465 G466S385-N463 PolarHBondContact O-ND2 2.86Å; P387-N463 HydrophobicContact CG-CB 3.86Å; D412-N463 PolarHBondContact O-ND2 2.91Å; S415-N463 WeakPolarHBondContact CB-ND2 3.31Å; S415-N463 VanDerWaalsContact O-CB 3.22Å; S415-N463 WeakPolarHBondContact O-CB 3.35Å; S415-N463 PolarHBondContact O-ND2 2.95Å; K416-N463 VanDerWaalsContact O-CB 3.24Å; K416-N463 WeakPolarHBondContact O-CB 3.46Å; N463-I465 PolarHBondContact O-N 2.89Å; N463-I465 VanDerWaalsContact O-N 3.13Å; N463-I465 WeakPolarHBondContact OD1-CA 3.41Å; N463-I465 WeakPolarHBondContact OD1-CB 3.48Å; N463-I465 PolarHBondContact OD1-N 2.94Å; N463-G466 PolarHBondContact N-O 3.23Å; N463-G466 PolarHBondContact O-N 3.25Å; N463-G466 PolarHBondContact OD1-N 3.21Å; N463-G466 VanDerWaalsContact OD1-N 3.13Å; N463-G466 PolarHBondContact OD1-O 2.78Å
464D87.1Confident88.8Confident126 Ų12645.4 Ų45.467%0.67425%0.248SC*.THydrogen-bonded Turntrans-66.9-12-177.3-50-49.8000113.7S415 T418S415-D464 PolarHBondContact OG-N 3.06Å; S415-D464 PolarHBondContact OG-OD2 2.85Å; T418-D464 WeakPolarHBondContact CG2-OD1 3.46Å
465I86.3Confident89.2Confident101 Ų10148 Ų4852%0.51826%0.261SS..THydrogen-bonded Turntrans-95.2-27.8177.7-46.4-60.2000111.8N463N463-I465 PolarHBondContact O-N 2.89Å; N463-I465 VanDerWaalsContact O-N 3.13Å; N463-I465 WeakPolarHBondContact OD1-CA 3.41Å; N463-I465 WeakPolarHBondContact OD1-CB 3.48Å; N463-I465 PolarHBondContact OD1-N 2.94Å
466G85.1Confident89.1Confident22 Ų2248 Ų4823%0.22726%0.262CS..EExtended strand (participates in β ladder)trans157.3-172.417600000114.8P387 Q462 N463P387-G466 WeakPolarHBondContact CD-O 3.38Å; Q462-G466 WeakPolarHBondContact CA-O 3.41Å; N463-G466 PolarHBondContact N-O 3.23Å; N463-G466 PolarHBondContact O-N 3.25Å; N463-G466 PolarHBondContact OD1-N 3.21Å; N463-G466 VanDerWaalsContact OD1-N 3.13Å; N463-G466 PolarHBondContact OD1-O 2.78Å
467T86.8Confident88.7Confident67 Ų6753.6 Ų53.641%0.41128%0.28SS..EExtended strand (participates in β ladder)trans-101.2141.1-178.1-49.10000111.3A460 Q462A460-T467 HydrophobicContact CB-CG2 3.92Å; Q462-T467 HydrophobicContact CB-CG2 4.29Å; Q462-T467 WeakPolarHBondContact CG-OG1 3.34Å
468S91.2Very high88.1Confident13 Ų1353.8 Ų53.89%0.09128%0.281CS..PPolyproline II helixtrans-68.4165.8174.377.10000112.2P387 E388 P390 A461P387-S468 WeakPolarHBondContact O-CB 3.39Å; E388-S468 WeakPolarHBondContact O-CB 3.47Å; P390-S468 WeakPolarHBondContact CD-OG 3.28Å; A461-S468 PolarHBondContact N-OG 3.38Å; A461-S468 WeakPolarHBondContact O-CB 3.49Å; A461-S468 PolarHBondContact O-N 3.11Å; A461-S468 PolarHBondContact O-OG 3.06Å
469G89.3Confident87.1Confident50 Ų5051.4 Ų51.452%0.51527%0.274SS..PPolyproline II helixtrans-62.1154.1158.900000111.8
470Y90.9Very high85.9Confident82 Ų8251.9 Ų51.932%0.32228%0.279SS..PPolyproline II helixtrans-67.2148.9175.3-73.3-64.7000112.6C389 L421 E423 R458 L459 A460C389-Y470 VanDerWaalsContact SG-C 3.54Å; C389-Y470 PolarHBondContact SG-O 3.02Å; L421-Y470 HydrophobicContact CD2-CE1 4.27Å; L421-Y470 VanDerWaalsContact CD2-OH 3.25Å; L421-Y470 WeakPolarHBondContact CD2-OH 3.19Å; L421-Y470 HydrophobicContact CG-CE1 4.26Å; E423-Y470 VanDerWaalsContact CD-CZ 3.41Å; E423-Y470 HydrophobicContact CG-CE1 4.12Å; E423-Y470 PolarHBondContact OE1-OH 2.96Å; E423-Y470 VanDerWaalsContact OE2-CZ 3.23Å; E423-Y470 PolarHBondContact OE2-OH 3.47Å; R458-Y470 HydrophobicContact CG-CD1 3.94Å; R458-Y470 HydrophobicContact CG-CE1 4.5Å; R458-Y470 HydrophobicContact CG-CG 4.11Å; L459-Y470 CarbonylContact O-C 3.52Å; L459-Y470 WeakPolarHBondContact O-CA 3.49Å; A460-Y470 HydrophobicContact CB-CD1 3.62Å; A460-Y470 HydrophobicContact CB-CE1 3.7Å; A460-Y470 HydrophobicContact CB-CG 4.43Å
471S91.4Very high85Confident7 Ų755.6 Ų55.65%0.04930%0.299CS..PPolyproline II helixtrans-59.9164.8169.674.10000111.8P390 L459P390-S471 WeakPolarHBondContact O-CB 3.24Å; L459-S471 PolarHBondContact N-OG 3.18Å; L459-S471 PolarHBondContact O-N 3.39Å
472Q88.2Confident84.3Confident159 Ų15959.7 Ų59.774%0.74332%0.32SS*.PPolyproline II helixtrans-55.1147.7160.1-69.5-179-28.700110.6P392P392-Q472 HydrophobicContact CG-CB 3.88Å; P392-Q472 WeakPolarHBondContact CG-O 3.18Å
473E90.6Very high83.8Confident116 Ų11657.1 Ų57.154%0.54231%0.309SS..PPolyproline II helixtrans-75.4141.7-179.1-62.6178.2-174.400110.7F433 T456 F457 R458F433-E473 VanDerWaalsContact CE2-CD 3.48Å; F433-E473 HydrophobicContact CE2-CG 4.28Å; F433-E473 WeakPolarHBondContact CE2-OE1 3.38Å; F433-E473 HydrophobicContact CZ-CB 4.47Å; F433-E473 HydrophobicContact CZ-CG 3.75Å; T456-E473 HydrophobicContact CG2-CB 3.92Å; F457-E473 CarbonylContact O-C 3.53Å; F457-E473 WeakPolarHBondContact O-CA 3.34Å; R458-E473 HydrophobicContact CB-CG 4.32Å; R458-E473 IonicContact NH1-OE1 2.73Å
474V87.1Confident83.4Confident37 Ų3763.2 Ų63.222%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-137.6125.7-178.460.30000111.6P392 P393 T456 F457P392-V474 HydrophobicContact CB-CB 4.21Å; P392-V474 HydrophobicContact CB-CG1 4.03Å; P393-V474 HydrophobicContact CG-CG1 3.86Å; P393-V474 WeakPolarHBondContact O-CG1 3.43Å; T456-V474 CarbonylContact C-O 3.5Å; T456-V474 WeakPolarHBondContact CA-O 3.33Å; F457-V474 HydrophobicContact CB-CG1 4.09Å; F457-V474 PolarHBondContact N-O 2.84Å; F457-V474 PolarHBondContact O-N 3.05Å
475V85.8Confident83.4Confident72 Ų7260.9 Ų60.944%0.43633%0.327SS..EExtended strand (participates in β ladder)trans-85.6128.7176.2-172.10000109.8Y455 T456 Y477Y455-V475 CarbonylContact O-C 3.48Å; Y455-V475 WeakPolarHBondContact O-CA 3.3Å; T456-V475 HydrophobicContact CG2-CG2 4.41Å; V475-Y477 HydrophobicContact CG1-CD2 4.41Å; V475-Y477 HydrophobicContact CG1-CE2 3.77Å
476C80.7Confident83.6Confident7 Ų756.3 Ų56.35%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-125.8136.4173.5-63.90000110.6L403 L405 Y455 F457L403-C476 HydrophobicContact CD1-CB 3.98Å; L403-C476 HydrophobicContact CD2-CB 4.41Å; L405-C476 HydrophobicContact CD2-CB 4.48Å; Y455-C476 PolarHBondContact N-O 3.27Å; Y455-C476 PolarHBondContact O-N 3.04Å; F457-C476 HydrophobicContact CD2-CB 4.14Å; F457-C476 HydrophobicContact CE2-CB 3.93Å
477Y80.4Confident83.8Confident146 Ų14658.2 Ų58.257%0.57331%0.314SS*.EExtended strand (participates in β ladder)trans-104.3138.1-177.8-61.7-97.5000111.5R398 L453 G454 V475R398-Y477 WeakPolarHBondContact CD-O 3.46Å; L453-Y477 WeakPolarHBondContact O-CA 3.33Å; G454-Y477 VanDerWaalsContact CA-CD1 3.43Å; V475-Y477 HydrophobicContact CG1-CD2 4.41Å; V475-Y477 HydrophobicContact CG1-CE2 3.77Å
478T77Confident83.8Confident3 Ų356.8 Ų56.82%0.01831%0.309CS..  trans-63.3161.4164.7460000111.2T399 L403 L449 C450 A452 L453 Y455T399-T478 WeakPolarHBondContact O-CB 3.14Å; L403-T478 HydrophobicContact CD1-CG2 4.42Å; L403-T478 HydrophobicContact CG-CG2 4.19Å; L449-T478 HydrophobicContact CB-CG2 3.59Å; L449-T478 HydrophobicContact CD1-CG2 3.86Å; L449-T478 HydrophobicContact CG-CG2 4.37Å; C450-T478 WeakPolarHBondContact O-CB 3.49Å; C450-T478 WeakPolarHBondContact O-CG2 3.19Å; C450-T478 PolarHBondContact O-OG1 2.97Å; A452-T478 PolarHBondContact N-OG1 2.98Å; L453-T478 PolarHBondContact N-OG1 3.31Å; L453-T478 VanDerWaalsContact N-OG1 3.15Å; L453-T478 PolarHBondContact O-N 2.83Å; L453-T478 PolarHBondContact O-OG1 2.88Å; Y455-T478 HydrophobicContact CE2-CG2 4.17Å
479A71.3Confident83.9Confident8 Ų856.3 Ų56.37%0.06631%0.306CS..  trans-65.2140.5178.700000111.2R398 T399 K400 A452 E562R398-A479 HydrophobicContact CG-CB 4.11Å; T399-A479 VanDerWaalsContact C-CB 3.41Å; T399-A479 PolarHBondContact O-N 2.89Å; K400-A479 HydrophobicContact CG-CB 4.27Å; A452-A479 PolarHBondContact N-O 2.73Å; A479-E562 WeakPolarHBondContact CA-OE1 3.35Å
480G69.7Low84.1Confident11 Ų1162.7 Ų62.711%0.11331%0.314CS..  trans-79.1-156.7174.500000113.9K400 E562K400-G480 WeakPolarHBondContact CE-O 3.5Å; G480-E562 VanDerWaalsContact N-CD 3.27Å; G480-E562 PolarHBondContact N-OE1 3.32Å
481N72.9Confident84.3Confident79 Ų7962 Ų6242%0.42232%0.316SS..PPolyproline II helixtrans-102.2149.6167.2-70.1-39.1000109.5K400 N560K400-N481 PolarHBondContact NZ-OD1 2.84Å; N481-N560 PolarHBondContact O-ND2 2.96Å
482I76.1Confident84.4Confident85 Ų8565.3 Ų65.344%0.43634%0.336SS..PPolyproline II helixtrans-68.9146.4158.9-62.9175.7000107.1E562 K564I482-E562 HydrophobicContact CG1-CB 4.22Å; I482-K564 WeakPolarHBondContact CG2-O 3.3Å
483P81.5Confident84.5Confident7 Ų765.4 Ų65.45%0.04533%0.329CS..PPolyproline II helixtrans-60.8151.1179.9-21.335.1000111.2V506 A558 N560 S565P483-V506 HydrophobicContact CB-CG1 4.03Å; P483-A558 HydrophobicContact CB-CB 3.8Å; P483-A558 HydrophobicContact CG-CB 4.34Å; P483-N560 WeakPolarHBondContact CD-OD1 3.43Å; P483-N560 HydrophobicContact CG-CB 3.97Å; P483-S565 WeakPolarHBondContact O-CB 3.35Å
484Q82.9Confident84.5Confident129 Ų12961.1 Ų61.160%0.60331%0.314SS*.PPolyproline II helixtrans-63.5160.7173.2-60.1-167.211.100111P486 V506Q484-P486 WeakPolarHBondContact O-CD 3.38Å; Q484-V506 HydrophobicContact CB-CG1 3.96Å; Q484-V506 WeakPolarHBondContact O-CG1 3.49Å
485T86.3Confident84.6Confident77 Ų7759.8 Ų59.847%0.47231%0.307SS..PPolyproline II helixtrans-56122.6172.9-51.80000109.7P567T485-P567 WeakPolarHBondContact CG2-O 3.14Å
486P89.9Confident84.8Confident5 Ų558.1 Ų58.13%0.03230%0.297CS..PPolyproline II helixtrans-68150.5176.928.3-34000111.1Q484 V506 L556 S565 S568Q484-P486 WeakPolarHBondContact O-CD 3.38Å; P486-V506 HydrophobicContact CB-CG2 3.74Å; P486-L556 HydrophobicContact CB-CD2 4.01Å; P486-L556 HydrophobicContact CB-CG 4.35Å; P486-L556 HydrophobicContact CG-CB 4.22Å; P486-L556 HydrophobicContact CG-CD2 4.32Å; P486-L556 HydrophobicContact CG-CG 4.13Å; P486-L556 WeakPolarHBondContact CG-O 2.82Å; P486-S565 WeakPolarHBondContact CD-OG 3.41Å; P486-S568 WeakPolarHBondContact O-CA 3.42Å; P486-S568 WeakPolarHBondContact O-CB 3.23Å
487S88.9Confident85.2Confident62 Ų6261 Ų6143%0.43431%0.314SS..PPolyproline II helixtrans-57.8153.8166.855.80000110.7
488A88.8Confident85.8Confident37 Ų3757 Ų5731%0.30630%0.299SS..PPolyproline II helixtrans-51.1138.9171.300000110.8E569A488-E569 HydrophobicContact CB-CB 4.29Å
489P92.9Very high86.6Confident3 Ų356.9 Ų56.92%0.01930%0.298CS..PPolyproline II helixtrans-62.1147172.826.4-32000109.7L501 W503 L519 F554 L571P489-L501 HydrophobicContact CB-CB 4.29Å; P489-L501 HydrophobicContact CB-CD1 4.11Å; P489-L501 HydrophobicContact CG-CD1 4.22Å; P489-W503 HydrophobicContact CB-CE3 4.25Å; P489-L519 HydrophobicContact CG-CD1 4.29Å; P489-F554 HydrophobicContact CG-CB 4.4Å; P489-L571 HydrophobicContact CB-CD2 4.48Å; P489-L571 HydrophobicContact CG-CB 4.01Å; P489-L571 HydrophobicContact CG-CD2 4.15Å; P489-L571 WeakPolarHBondContact O-CD2 3.33Å
490R93.1Very high87.7Confident184 Ų18457.7 Ų57.769%0.69430%0.302SS*.EExtended strand (participates in β ladder)trans-98134.2176174.7177.4172.2-176.6-0.6109.9V492 L501 Q502R490-V492 PolarHBondContact O-N 2.89Å; R490-L501 VanDerWaalsContact O-CA 3.31Å; R490-L501 WeakPolarHBondContact O-CA 3.33Å; R490-Q502 PolarHBondContact N-O 3.35Å; R490-Q502 PolarHBondContact O-N 2.83Å
491L94.1Very high88.9Confident68 Ų6857.2 Ų57.236%0.35630%0.296SS..EExtended strand (participates in β ladder)trans-65.6121.1166-178.961.8000110.1A494 I499 L501L491-A494 HydrophobicContact CD1-CB 4.47Å; L491-I499 HydrophobicContact CD1-CG2 3.7Å; L491-L501 HydrophobicContact CB-CD2 4.36Å; L491-L501 HydrophobicContact CD1-CD2 4.03Å
492V93.4Very high89.9Confident77 Ų7757.9 Ų57.947%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-91.9-48.9170.8-178.20000109.7R490 T500 Q502R490-V492 PolarHBondContact O-N 2.89Å; V492-T500 HydrophobicContact CB-CG2 4.15Å; V492-T500 WeakPolarHBondContact CB-O 3.35Å; V492-T500 PolarHBondContact N-O 2.95Å; V492-Q502 HydrophobicContact CG2-CB 3.46Å; V492-Q502 VanDerWaalsContact CG2-CB 3.46Å
493R91Very high90.8Very high161 Ų16154 Ų5461%0.60828%0.277SS*.EExtended strand (participates in β ladder)trans-161.6139.4-179.5-162.317062.3161.79.2110.8W498 T500R493-W498 HydrophobicContact CB-CH2 4.4Å; R493-W498 HydrophobicContact CB-CZ3 4.17Å; R493-W498 HydrophobicContact CG-CH2 3.97Å; R493-W498 HydrophobicContact CG-CZ3 4.23Å; R493-W498 VanDerWaalsContact NE-CH2 3.3Å; R493-T500 PolarHBondContact N-O 2.96Å; R493-T500 PolarHBondContact O-N 3.02Å
494A91.4Very high91.1Very high26 Ų2659.1 Ų59.122%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-102.9150.1166.400000110.2L491 I499 S576L491-A494 HydrophobicContact CD1-CB 4.47Å; A494-I499 HydrophobicContact CB-CG1 4.28Å; A494-S576 PolarHBondContact O-OG 3.3Å
495G88.9Confident91.2Very high8 Ų858.1 Ų58.18%0.08230%0.298CS..  trans-131.7-172.8165.300000110.4T497 W498 T575 S576G495-T497 PolarHBondContact O-N 3.21Å; G495-W498 PolarHBondContact N-O 2.87Å; G495-T575 WeakPolarHBondContact O-CB 3.25Å; G495-S576 PolarHBondContact O-N 3.46Å
496V89.6Confident91.1Very high37 Ų3755.1 Ų55.122%0.22428%0.279CS..SBendtrans-61.2-43.9-175.5-176.10000112.3R548 D578V496-R548 HydrophobicContact CG1-CB 3.58Å; V496-R548 WeakPolarHBondContact O-CA 3.41Å; V496-D578 HydrophobicContact CG1-CB 3.62Å; V496-D578 HydrophobicContact CG2-CB 4.29Å
497T90.1Very high90.1Very high68 Ų6862.6 Ų62.642%0.41731%0.314SS..SBendtrans-125.415.2-174.258.10000113.7G495 K544 N545 L546G495-T497 PolarHBondContact O-N 3.21Å; T497-K544 CarbonylContact O-C 3.59Å; T497-N545 PolarHBondContact O-N 3.38Å; T497-L546 VanDerWaalsContact CA-O 3.3Å; T497-L546 WeakPolarHBondContact CA-O 3.41Å; T497-L546 WeakPolarHBondContact CB-O 3.48Å; T497-L546 PolarHBondContact O-N 2.99Å
498W92.4Very high88.6Confident63 Ų6361.9 Ų61.924%0.23932%0.316CS..EExtended strand (participates in β ladder)trans-154.9154.3-17756.6-92.8000112.6R493 G495 T542 V543 K544R493-W498 HydrophobicContact CB-CH2 4.4Å; R493-W498 HydrophobicContact CB-CZ3 4.17Å; R493-W498 HydrophobicContact CG-CH2 3.97Å; R493-W498 HydrophobicContact CG-CZ3 4.23Å; R493-W498 VanDerWaalsContact NE-CH2 3.3Å; G495-W498 PolarHBondContact N-O 2.87Å; W498-T542 HydrophobicContact CB-CG2 4.08Å; W498-T542 HydrophobicContact CD2-CG2 4.38Å; W498-T542 HydrophobicContact CE3-CG2 4.01Å; W498-T542 HydrophobicContact CG-CG2 4.42Å; W498-V543 CarbonylContact C-O 3.5Å; W498-V543 WeakPolarHBondContact CA-O 3.06Å; W498-V543 WeakPolarHBondContact CB-O 3.16Å; W498-K544 HydrophobicContact CB-CB 4.45Å; W498-K544 HydrophobicContact CB-CG 4.09Å
499I93.9Very high87.1Confident0 Ų061.5 Ų61.50%031%0.311CS..EExtended strand (participates in β ladder)trans-132.7128.6174.8-71173.3000108.3L491 A494 L501 T542 V543 L546 Y552 F554 C573 T575L491-I499 HydrophobicContact CD1-CG2 3.7Å; A494-I499 HydrophobicContact CB-CG1 4.28Å; I499-L501 HydrophobicContact CG2-CD2 3.53Å; I499-L501 HydrophobicContact CG2-CG 3.93Å; I499-T542 CarbonylContact O-C 3.59Å; I499-T542 WeakPolarHBondContact O-CA 3.44Å; I499-V543 PolarHBondContact N-O 3.04Å; I499-V543 PolarHBondContact O-N 2.76Å; I499-L546 HydrophobicContact CB-CD1 3.94Å; I499-L546 HydrophobicContact CD1-CD1 3.79Å; I499-L546 HydrophobicContact CG1-CD1 3.73Å; I499-Y552 HydrophobicContact CD1-CD2 4.29Å; I499-F554 HydrophobicContact CB-CZ 4.21Å; I499-F554 HydrophobicContact CD1-CE2 3.9Å; I499-F554 HydrophobicContact CD1-CZ 4Å; I499-F554 HydrophobicContact CG2-CE2 4.26Å; I499-F554 HydrophobicContact CG2-CZ 4.13Å; I499-C573 HydrophobicContact CD1-CB 3.92Å; I499-T575 HydrophobicContact CD1-CG2 3.92Å; I499-T575 HydrophobicContact CG1-CG2 3.99Å
500T93.6Very high85.5Confident25 Ų2564.4 Ų64.415%0.15333%0.331CS..EExtended strand (participates in β ladder)trans-100.3119.6173.6-55.40000110V492 R493 C541 T542V492-T500 HydrophobicContact CB-CG2 4.15Å; V492-T500 WeakPolarHBondContact CB-O 3.35Å; V492-T500 PolarHBondContact N-O 2.95Å; R493-T500 PolarHBondContact N-O 2.96Å; R493-T500 PolarHBondContact O-N 3.02Å; T500-C541 WeakPolarHBondContact CA-O 3.45Å; T500-T542 WeakPolarHBondContact CG2-OG1 3.22Å; T500-T542 WeakPolarHBondContact OG1-CG2 3.34Å; T500-T542 PolarHBondContact OG1-OG1 3.04Å
501L95.4Very high83.8Confident0 Ų061.3 Ų61.30%034%0.335CS..EExtended strand (participates in β ladder)trans-114.2152.4177.1-57-173.8000111.1P489 R490 L491 I499 W503 L519 A540 C541 F554 L571P489-L501 HydrophobicContact CB-CB 4.29Å; P489-L501 HydrophobicContact CB-CD1 4.11Å; P489-L501 HydrophobicContact CG-CD1 4.22Å; R490-L501 VanDerWaalsContact O-CA 3.31Å; R490-L501 WeakPolarHBondContact O-CA 3.33Å; L491-L501 HydrophobicContact CB-CD2 4.36Å; L491-L501 HydrophobicContact CD1-CD2 4.03Å; I499-L501 HydrophobicContact CG2-CD2 3.53Å; I499-L501 HydrophobicContact CG2-CG 3.93Å; L501-W503 HydrophobicContact CB-CZ3 4.32Å; L501-L519 HydrophobicContact CD1-CD1 4.07Å; L501-L519 HydrophobicContact CD1-CD2 4.14Å; L501-A540 CarbonylContact O-C 3.48Å; L501-A540 WeakPolarHBondContact O-CA 3.32Å; L501-A540 WeakPolarHBondContact O-CB 3.26Å; L501-C541 PolarHBondContact N-O 3.04Å; L501-C541 PolarHBondContact O-N 3.33Å; L501-F554 HydrophobicContact CD1-CB 3.89Å; L501-F554 HydrophobicContact CD1-CD1 3.57Å; L501-F554 HydrophobicContact CD1-CD2 4.03Å; L501-F554 HydrophobicContact CD1-CE1 4Å; L501-F554 HydrophobicContact CD1-CE2 4.43Å; L501-F554 HydrophobicContact CD1-CG 3.57Å; L501-F554 HydrophobicContact CD1-CZ 4.41Å; L501-L571 HydrophobicContact CD1-CD2 4.02Å; L501-L571 HydrophobicContact CD2-CD2 3.5Å; L501-L571 HydrophobicContact CG-CD2 4.41Å
502Q94.5Very high82.3Confident94 Ų9466.9 Ų66.944%0.43936%0.359SS..EExtended strand (participates in β ladder)trans-137.3150.3176.2-177.8177.715.900110.6R490 V492 Q539 A540R490-Q502 PolarHBondContact N-O 3.35Å; R490-Q502 PolarHBondContact O-N 2.83Å; V492-Q502 HydrophobicContact CG2-CB 3.46Å; V492-Q502 VanDerWaalsContact CG2-CB 3.46Å; Q502-Q539 CarbonylContact C-O 3.59Å; Q502-Q539 WeakPolarHBondContact CA-O 3.3Å; Q502-Q539 WeakPolarHBondContact CG-O 3.38Å; Q502-A540 HydrophobicContact CB-CB 4.17Å; Q502-A540 HydrophobicContact CG-CB 4.27Å
503W93.9Very high81.2Confident4 Ų465 Ų652%0.01535%0.345CS..  trans-144.4159.4179.651.287.2000112.7P489 L501 Y517 L519 Y534 E538 Q539 C541 L556P489-W503 HydrophobicContact CB-CE3 4.25Å; L501-W503 HydrophobicContact CB-CZ3 4.32Å; W503-Y517 AromaticContact CD1-CD1 3.79Å; W503-Y517 AromaticContact CD1-CG 3.91Å; W503-Y517 HydrophobicContact CZ2-CG 4.44Å; W503-Y517 AromaticContact NE1-CD1 3.53Å; W503-Y517 AromaticContact NE1-CD2 3.41Å; W503-Y517 AromaticContact NE1-CG 3.17Å; W503-L519 HydrophobicContact CH2-CB 4.4Å; W503-L519 HydrophobicContact CZ3-CD1 4.34Å; W503-L519 HydrophobicContact CZ3-CD2 4.26Å; W503-Y534 HydrophobicContact CH2-CD1 4.18Å; W503-Y534 HydrophobicContact CH2-CE1 4.48Å; W503-Y534 HydrophobicContact CZ2-CD1 4.19Å; W503-Y534 HydrophobicContact CZ2-CE1 4.15Å; W503-E538 VanDerWaalsContact CZ2-O 3.24Å; W503-E538 WeakPolarHBondContact CZ2-O 3.37Å; W503-E538 PolarHBondContact NE1-O 2.84Å; W503-Q539 PolarHBondContact N-O 3.16Å; W503-Q539 PolarHBondContact O-NE2 2.96Å; W503-C541 HydrophobicContact CH2-CB 3.69Å; W503-C541 HydrophobicContact CZ3-CB 4.11Å; W503-L556 HydrophobicContact CB-CD2 3.45Å; W503-L556 VanDerWaalsContact CB-CD2 3.45Å; W503-L556 HydrophobicContact CD2-CD1 3.92Å; W503-L556 HydrophobicContact CD2-CD2 3.62Å; W503-L556 HydrophobicContact CD2-CG 4.45Å; W503-L556 HydrophobicContact CE3-CD1 4.11Å; W503-L556 HydrophobicContact CE3-CD2 4.18Å; W503-L556 HydrophobicContact CG-CD1 4.43Å; W503-L556 HydrophobicContact CG-CD2 3.29Å; W503-L556 HydrophobicContact CG-CG 4.49Å; W503-L556 HydrophobicContact CH2-CD1 4.27Å; W503-L556 HydrophobicContact CZ2-CD1 4.1Å; W503-L556 HydrophobicContact CZ3-CD1 4.28Å
504N88.8Confident80.5Confident113 Ų11361.6 Ų61.660%0.60434%0.342SS*.PPolyproline II helixtrans-82159.2179.7-65.1-16.8000111.2
505K84.1Confident80.1Confident109 Ų10960.8 Ų60.847%0.47433%0.334SS..PPolyproline II helixtrans-69.6136.4170.4-174.9174.5179.81770108.7Y517K505-Y517 WeakPolarHBondContact CA-OH 2.9Å
506V83.4Confident80.1Confident13 Ų1362.1 Ų62.18%0.07934%0.342CS..PPolyproline II helixtrans-71.7131.1175.6168.50000110.8P483 Q484 P486 I515 Y517 A558P483-V506 HydrophobicContact CB-CG1 4.03Å; Q484-V506 HydrophobicContact CB-CG1 3.96Å; Q484-V506 WeakPolarHBondContact O-CG1 3.49Å; P486-V506 HydrophobicContact CB-CG2 3.74Å; V506-I515 HydrophobicContact CB-CD1 4.42Å; V506-Y517 HydrophobicContact CG2-CE1 4.14Å; V506-Y517 PolarHBondContact N-OH 3.18Å; V506-A558 HydrophobicContact CB-CB 4.41Å; V506-A558 HydrophobicContact CG2-CB 3.83Å
507E69.1Low80.3Confident163 Ų16360.6 Ų60.676%0.76233%0.332SS*.SBendtrans-87.9155.9174.8-61.4-174.9175.800111.6
508G58.9Low80.5Confident47 Ų4758 Ų5849%0.48532%0.316SS..SBendtrans101.5-1.4178.200000116.5
509C56.9Low80.5Confident28 Ų2855 Ų5519%0.18931%0.305CS..SBendtrans-94.3167.1166.3-82.40000111.5E513 I515C509-E513 HydrophobicContact CB-CB 4.31Å; C509-E513 WeakPolarHBondContact CB-OE2 3.47Å; C509-E513 PolarHBondContact SG-OE2 3.11Å; C509-I515 HydrophobicContact CB-CD1 3.89Å; C509-I515 HydrophobicContact CB-CG1 4.43Å
510S59.7Low80.5Confident64 Ų6455.6 Ų55.645%0.44831%0.308SS..  trans-64.6146.2173.6-173.90000110.7E512 E513S510-E512 PolarHBondContact O-N 2.98Å; S510-E512 VanDerWaalsContact O-N 3.14Å; S510-E513 PolarHBondContact N-OE2 3.15Å; S510-E513 VanDerWaalsContact O-CB 3.31Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3Å
511P57.6Low80.5Confident120 Ų12054.4 Ų54.478%0.77930%0.3SS*.THydrogen-bonded Turntrans-55.6-32.6178.8-27.636000114.2
512E61.2Low80.3Confident184 Ų18455.2 Ų55.286%0.8630%0.304SS*.THydrogen-bonded Turntrans-86.9-0.2-179.9-58.1-178.7163.100113.5S510S510-E512 PolarHBondContact O-N 2.98Å; S510-E512 VanDerWaalsContact O-N 3.14Å
513E70.8Confident79.4Confident39 Ų3952.9 Ų52.918%0.18229%0.293CS..  trans-83.8126.5-177-172.7164.9-152.800112.2C509 S510 I515 N560C509-E513 HydrophobicContact CB-CB 4.31Å; C509-E513 WeakPolarHBondContact CB-OE2 3.47Å; C509-E513 PolarHBondContact SG-OE2 3.11Å; S510-E513 PolarHBondContact N-OE2 3.15Å; S510-E513 VanDerWaalsContact O-CB 3.31Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3Å; E513-I515 PolarHBondContact O-N 3.28Å; E513-N560 HydrophobicContact CG-CB 4.3Å; E513-N560 PolarHBondContact OE1-ND2 3.33Å
514V75.4Confident78.3Confident88 Ų8857.1 Ų57.153%0.53331%0.313SS..  trans-74.9117.6175.9-178.70000109.5E537V514-E537 HydrophobicContact CG1-CG 3.93Å; V514-E537 WeakPolarHBondContact CG1-OE1 3.13Å
515I83.7Confident77Confident10 Ų1057.1 Ų57.15%0.05131%0.313CS..  trans-109.5120.6176.6-54.7175.8000108.4V506 C509 E513 Y517 A558V506-I515 HydrophobicContact CB-CD1 4.42Å; C509-I515 HydrophobicContact CB-CD1 3.89Å; C509-I515 HydrophobicContact CB-CG1 4.43Å; E513-I515 PolarHBondContact O-N 3.28Å; I515-Y517 HydrophobicContact CG2-CE1 4.12Å; I515-Y517 HydrophobicContact CG2-CE2 4.23Å; I515-A558 HydrophobicContact CG2-CB 3.88Å
516S89.2Confident75.9Confident35 Ų3559.4 Ų59.425%0.24533%0.33CS..EExtended strand (participates in β ladder)trans-96.7143.4170.862.20000110.8A558 S559S516-A558 CarbonylContact O-C 3.46Å; S516-A558 WeakPolarHBondContact O-CA 3.21Å; S516-S559 PolarHBondContact N-O 3.33Å; S516-S559 PolarHBondContact O-N 3.25Å; S516-S559 PolarHBondContact OG-O 3.41Å
517Y93.3Very high75.1Confident5 Ų560.9 Ų60.92%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-108.4133.9178.4-62.2-80.2000110.4W503 K505 V506 I515 T535 G536 L556 F557 A558W503-Y517 AromaticContact CD1-CD1 3.79Å; W503-Y517 AromaticContact CD1-CG 3.91Å; W503-Y517 HydrophobicContact CZ2-CG 4.44Å; W503-Y517 AromaticContact NE1-CD1 3.53Å; W503-Y517 AromaticContact NE1-CD2 3.41Å; W503-Y517 AromaticContact NE1-CG 3.17Å; K505-Y517 WeakPolarHBondContact CA-OH 2.9Å; V506-Y517 HydrophobicContact CG2-CE1 4.14Å; V506-Y517 PolarHBondContact N-OH 3.18Å; I515-Y517 HydrophobicContact CG2-CE1 4.12Å; I515-Y517 HydrophobicContact CG2-CE2 4.23Å; Y517-T535 VanDerWaalsContact O-CA 3.26Å; Y517-T535 WeakPolarHBondContact O-CA 3.44Å; Y517-G536 PolarHBondContact N-O 3.16Å; Y517-G536 PolarHBondContact O-N 2.9Å; Y517-G536 VanDerWaalsContact O-N 3.08Å; Y517-L556 HydrophobicContact CD1-CD2 4.39Å; Y517-F557 CarbonylContact C-O 3.49Å; Y517-F557 VanDerWaalsContact CA-O 3.26Å; Y517-F557 WeakPolarHBondContact CA-O 3.37Å; Y517-A558 HydrophobicContact CD1-CB 4.16Å; Y517-A558 HydrophobicContact CE1-CB 3.94Å
518T93.7Very high75.3Confident13 Ų1359.5 Ų59.58%0.0834%0.341CS..EExtended strand (participates in β ladder)trans-112.3117.1170-62.10000109.5E520 P532 Y534 T535 F557T518-E520 HydrophobicContact CG2-CG 4.05Å; T518-P532 HydrophobicContact CG2-CB 4.18Å; T518-Y534 CarbonylContact C-O 3.54Å; T518-Y534 VanDerWaalsContact CA-O 3.31Å; T518-Y534 WeakPolarHBondContact CA-O 3.23Å; T518-T535 PolarHBondContact OG1-OG1 2.98Å; T518-T535 VanDerWaalsContact OG1-OG1 3.1Å; T518-F557 PolarHBondContact N-O 3.32Å; T518-F557 PolarHBondContact O-N 3.49Å
519L94.3Very high76.5Confident0 Ų060.6 Ų60.60%034%0.338CS..EExtended strand (participates in β ladder)trans-97.6124.6173.9-17774.7000108.9P489 L501 W503 P532 K533 Y534 C541 V543 F554 L556P489-L519 HydrophobicContact CG-CD1 4.29Å; L501-L519 HydrophobicContact CD1-CD1 4.07Å; L501-L519 HydrophobicContact CD1-CD2 4.14Å; W503-L519 HydrophobicContact CH2-CB 4.4Å; W503-L519 HydrophobicContact CZ3-CD1 4.34Å; W503-L519 HydrophobicContact CZ3-CD2 4.26Å; L519-P532 WeakPolarHBondContact O-CA 3.26Å; L519-K533 PolarHBondContact O-N 2.9Å; L519-Y534 PolarHBondContact N-O 2.67Å; L519-Y534 PolarHBondContact O-N 2.77Å; L519-C541 HydrophobicContact CD2-CB 4.32Å; L519-V543 HydrophobicContact CD2-CG2 3.82Å; L519-F554 HydrophobicContact CD1-CB 4.39Å; L519-F554 HydrophobicContact CD1-CD1 4.39Å; L519-F554 HydrophobicContact CD2-CD1 4.28Å; L519-F554 HydrophobicContact CG-CD1 4.4Å; L519-L556 HydrophobicContact CB-CD1 4.15Å; L519-L556 HydrophobicContact CD1-CD1 4.07Å
520E93.4Very high78Confident14 Ų1460.6 Ų60.67%0.06534%0.335CS..EExtended strand (participates in β ladder)trans-115.3144.8176.8-55.8173-171.600110.3T518 F530 H531 P532 F554 R555 F557 K564T518-E520 HydrophobicContact CG2-CG 4.05Å; E520-F530 HydrophobicContact CB-CB 3.98Å; E520-F530 HydrophobicContact CB-CD1 4.25Å; E520-H531 CarbonylContact C-O 3.55Å; E520-H531 VanDerWaalsContact CA-O 3.27Å; E520-H531 WeakPolarHBondContact CA-O 3.35Å; E520-P532 HydrophobicContact CG-CB 4.3Å; E520-F554 WeakPolarHBondContact O-CA 3.47Å; E520-R555 HydrophobicContact CB-CG 4.11Å; E520-R555 PolarHBondContact N-O 3.38Å; E520-R555 PolarHBondContact O-N 2.92Å; E520-R555 IonicContact OE2-CZ 3.28Å; E520-R555 VanDerWaalsContact OE2-CZ 3.22Å; E520-R555 IonicContact OE2-NE 3.87Å; E520-R555 PolarHBondContact OE2-NE 3.11Å; E520-R555 IonicContact OE2-NH2 2.84Å; E520-R555 PolarHBondContact OE2-NH2 2.79Å; E520-F557 HydrophobicContact CG-CD2 4.43Å; E520-F557 HydrophobicContact CG-CE2 4.14Å; E520-F557 VanDerWaalsContact OE1-CE2 3.23Å; E520-F557 WeakPolarHBondContact OE1-CE2 3.48Å; E520-F557 VanDerWaalsContact OE2-CE2 3.29Å; E520-F557 WeakPolarHBondContact OE2-CE2 3.36Å; E520-K564 IonicContact OE1-NZ 2.79Å; E520-K564 PolarHBondContact OE1-NZ 3.42Å
521I92.8Very high79.4Confident0 Ų061.6 Ų61.60%033%0.333CS..EExtended strand (participates in β ladder)trans-122.3149178.7-159.7179.4000110.7E523 F530 H531 K533 V543 L546 Y552 K553 F554I521-E523 HydrophobicContact CG2-CG 4.2Å; I521-F530 CarbonylContact O-C 3.5Å; I521-F530 WeakPolarHBondContact O-CA 3.48Å; I521-H531 PolarHBondContact N-O 2.93Å; I521-H531 PolarHBondContact O-N 2.86Å; I521-K533 HydrophobicContact CB-CG 4.13Å; I521-K533 HydrophobicContact CG2-CD 4.02Å; I521-K533 HydrophobicContact CG2-CG 3.45Å; I521-K533 VanDerWaalsContact CG2-CG 3.45Å; I521-V543 HydrophobicContact CD1-CG1 4.46Å; I521-L546 HydrophobicContact CD1-CD2 3.78Å; I521-Y552 HydrophobicContact CD1-CD1 3.41Å; I521-Y552 VanDerWaalsContact CD1-CD1 3.41Å; I521-Y552 HydrophobicContact CD1-CE1 4.17Å; I521-Y552 HydrophobicContact CD1-CG 3.9Å; I521-Y552 HydrophobicContact CG1-CD1 4.01Å; I521-K553 CarbonylContact C-O 3.56Å; I521-K553 VanDerWaalsContact CA-O 3.26Å; I521-K553 WeakPolarHBondContact CA-O 3.42Å; I521-K553 WeakPolarHBondContact CG1-O 3.01Å; I521-F554 HydrophobicContact CB-CD1 4.05Å; I521-F554 HydrophobicContact CB-CE1 4.06Å; I521-F554 HydrophobicContact CD1-CD1 4.14Å; I521-F554 HydrophobicContact CD1-CE1 3.35Å; I521-F554 HydrophobicContact CD1-CE2 4.28Å; I521-F554 HydrophobicContact CD1-CZ 3.44Å; I521-F554 VanDerWaalsContact CD1-CZ 3.44Å; I521-F554 HydrophobicContact CG1-CD1 3.76Å; I521-F554 HydrophobicContact CG1-CE1 3.51Å; I521-F554 HydrophobicContact CG1-CE2 4.38Å; I521-F554 HydrophobicContact CG1-CG 4.31Å; I521-F554 HydrophobicContact CG1-CZ 3.85Å
522Q90.8Very high81Confident16 Ų1659.9 Ų59.98%0.07532%0.321CS..EExtended strand (participates in β ladder)trans-112.7132.4163.2167.3-169-17.200107.5E524 D527 F530 K553Q522-E524 WeakPolarHBondContact CG-O 3.39Å; Q522-E524 PolarHBondContact NE2-O 2.86Å; Q522-D527 HydrophobicContact CG-CB 4.24Å; Q522-D527 PolarHBondContact NE2-O 2.87Å; Q522-F530 HydrophobicContact CB-CD1 4.09Å; Q522-F530 HydrophobicContact CB-CD2 4.32Å; Q522-F530 HydrophobicContact CB-CE1 3.92Å; Q522-F530 HydrophobicContact CB-CE2 4.15Å; Q522-F530 HydrophobicContact CB-CG 4.29Å; Q522-F530 HydrophobicContact CB-CZ 3.95Å; Q522-K553 HydrophobicContact CB-CB 4.25Å; Q522-K553 PolarHBondContact N-O 3.11Å; Q522-K553 VanDerWaalsContact NE2-NZ 3.13Å; Q522-K553 PolarHBondContact O-N 2.88Å
523E77.2Confident82.4Confident46 Ų4655.7 Ų55.722%0.21530%0.3CS..  trans-99-18.1-168.3-62.5-160.8-166.700115.7I521 K533 Y552I521-E523 HydrophobicContact CG2-CG 4.2Å; E523-K533 VanDerWaalsContact OE1-CE 3.26Å; E523-K533 WeakPolarHBondContact OE1-CE 3.06Å; E523-K533 IonicContact OE1-NZ 2.71Å; E523-K533 PolarHBondContact OE1-NZ 2.89Å; E523-Y552 HydrophobicContact CB-CD1 4.31Å; E523-Y552 HydrophobicContact CB-CE1 3.82Å; E523-Y552 HydrophobicContact CG-CD1 4.23Å; E523-Y552 HydrophobicContact CG-CE1 3.82Å
524E69.5Low83.4Confident93 Ų9355.4 Ų55.444%0.43530%0.298SS..SBendtrans-141.5154177.1-65.8-175.8-169.600110.6Q522 N526 D527 R547Q522-E524 WeakPolarHBondContact CG-O 3.39Å; Q522-E524 PolarHBondContact NE2-O 2.86Å; E524-N526 VanDerWaalsContact C-N 3.29Å; E524-N526 PolarHBondContact O-N 3.37Å; E524-D527 HydrophobicContact CB-CB 4.33Å; E524-D527 WeakPolarHBondContact O-CB 3.37Å; E524-D527 PolarHBondContact O-N 2.7Å; E524-D527 VanDerWaalsContact O-N 3.15Å; E524-R547 IonicContact OE1-CZ 3.67Å; E524-R547 IonicContact OE1-NH1 3.27Å; E524-R547 PolarHBondContact OE1-NH1 3.11Å; E524-R547 IonicContact OE1-NH2 3.86Å; E524-R547 PolarHBondContact OE1-NH2 2.99Å
525D62.1Low84.1Confident113 Ų11355.7 Ų55.760%0.60430%0.3SS*.THydrogen-bonded Turntrans-64.7-32.1-179.9-100-41.7000113.5D527 K553D525-D527 VanDerWaalsContact C-N 3.33Å; D525-K553 WeakPolarHBondContact OD1-CE 3.44Å; D525-K553 IonicContact OD1-NZ 3.86Å; D525-K553 PolarHBondContact OD1-NZ 3.21Å
526N60.7Low84.4Confident156 Ų15656.1 Ų56.183%0.83431%0.306SS*.THydrogen-bonded Turntrans-79.7-12.4176-75-21.9000113.6E524E524-N526 VanDerWaalsContact C-N 3.29Å; E524-N526 PolarHBondContact O-N 3.37Å
527D66.5Low84.4Confident44 Ų4460.8 Ų60.824%0.23532%0.324CS..  trans-78.3127.2175.1-174.88.1000109.6Q522 E524 D525 V529Q522-D527 HydrophobicContact CG-CB 4.24Å; Q522-D527 PolarHBondContact NE2-O 2.87Å; E524-D527 HydrophobicContact CB-CB 4.33Å; E524-D527 WeakPolarHBondContact O-CB 3.37Å; E524-D527 PolarHBondContact O-N 2.7Å; E524-D527 VanDerWaalsContact O-N 3.15Å; D525-D527 VanDerWaalsContact C-N 3.33Å; D527-V529 WeakPolarHBondContact OD1-CB 3.49Å; D527-V529 PolarHBondContact OD1-N 2.8Å
528T72.6Confident84.2Confident135 Ų13566.5 Ų66.583%0.82835%0.351SS*.  trans-95.2-2.9177.154.40000112.5
529V84.3Confident84.1Confident70 Ų7070.3 Ų70.342%0.42437%0.368SS..  trans-100.4141.4-173.3-171.40000110.7D527D527-V529 WeakPolarHBondContact OD1-CB 3.49Å; D527-V529 PolarHBondContact OD1-N 2.8Å
530F90.1Very high84Confident27 Ų2772.3 Ų72.312%0.11838%0.384CS..  trans-107.8124.2170.4-86.1-95.4000108.8E520 I521 Q522 K553 R555 I570E520-F530 HydrophobicContact CB-CB 3.98Å; E520-F530 HydrophobicContact CB-CD1 4.25Å; I521-F530 CarbonylContact O-C 3.5Å; I521-F530 WeakPolarHBondContact O-CA 3.48Å; Q522-F530 HydrophobicContact CB-CD1 4.09Å; Q522-F530 HydrophobicContact CB-CD2 4.32Å; Q522-F530 HydrophobicContact CB-CE1 3.92Å; Q522-F530 HydrophobicContact CB-CE2 4.15Å; Q522-F530 HydrophobicContact CB-CG 4.29Å; Q522-F530 HydrophobicContact CB-CZ 3.95Å; F530-K553 HydrophobicContact CE1-CB 4.35Å; F530-K553 HydrophobicContact CZ-CB 4.26Å; F530-R555 HydrophobicContact CD1-CG 3.67Å; F530-R555 HydrophobicContact CE1-CB 4.28Å; F530-R555 HydrophobicContact CE1-CG 3.87Å; F530-R555 HydrophobicContact CG-CG 4.3Å; F530-I570 HydrophobicContact CE2-CD1 4.49Å; F530-I570 HydrophobicContact CZ-CD1 4.01Å; F530-I570 HydrophobicContact CZ-CG1 4.31Å
531H89Confident83.9Confident86 Ų8672.5 Ų72.540%0.39839%0.387SS..EExtended strand (participates in β ladder)trans-105.2130.6-177.3-67.1-68.5000111.2E520 I521 K533E520-H531 CarbonylContact C-O 3.55Å; E520-H531 VanDerWaalsContact CA-O 3.27Å; E520-H531 WeakPolarHBondContact CA-O 3.35Å; I521-H531 PolarHBondContact N-O 2.93Å; I521-H531 PolarHBondContact O-N 2.86Å; H531-K533 PolarHBondContact O-N 3.26Å
532P90.3Very high84Confident84 Ų8475.2 Ų75.255%0.54540%0.404SS..EExtended strand (participates in β ladder)trans-66.1128.7176.427.6-33.8000110.9T518 L519 E520T518-P532 HydrophobicContact CG2-CB 4.18Å; L519-P532 WeakPolarHBondContact O-CA 3.26Å; E520-P532 HydrophobicContact CG-CB 4.3Å
533K90.3Very high84.1Confident95 Ų9574.8 Ų74.841%0.41340%0.403SS..EExtended strand (participates in β ladder)trans-111.5-16.5172.9-63.4-68.3-1711790112.8L519 I521 E523 H531 V543L519-K533 PolarHBondContact O-N 2.9Å; I521-K533 HydrophobicContact CB-CG 4.13Å; I521-K533 HydrophobicContact CG2-CD 4.02Å; I521-K533 HydrophobicContact CG2-CG 3.45Å; I521-K533 VanDerWaalsContact CG2-CG 3.45Å; E523-K533 VanDerWaalsContact OE1-CE 3.26Å; E523-K533 WeakPolarHBondContact OE1-CE 3.06Å; E523-K533 IonicContact OE1-NZ 2.71Å; E523-K533 PolarHBondContact OE1-NZ 2.89Å; H531-K533 PolarHBondContact O-N 3.26Å; K533-V543 HydrophobicContact CB-CG1 4.11Å; K533-V543 HydrophobicContact CB-CG2 4.08Å; K533-V543 HydrophobicContact CD-CG1 4.34Å; K533-V543 HydrophobicContact CG-CG1 3.98Å
534Y92.1Very high84.7Confident34 Ų3479.3 Ų79.313%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-147140.5176-179.9-94.1000110.7W503 T518 L519 G536 E538 C541W503-Y534 HydrophobicContact CH2-CD1 4.18Å; W503-Y534 HydrophobicContact CH2-CE1 4.48Å; W503-Y534 HydrophobicContact CZ2-CD1 4.19Å; W503-Y534 HydrophobicContact CZ2-CE1 4.15Å; T518-Y534 CarbonylContact C-O 3.54Å; T518-Y534 VanDerWaalsContact CA-O 3.31Å; T518-Y534 WeakPolarHBondContact CA-O 3.23Å; L519-Y534 PolarHBondContact N-O 2.67Å; L519-Y534 PolarHBondContact O-N 2.77Å; Y534-G536 VanDerWaalsContact CE1-N 3.32Å; Y534-G536 WeakPolarHBondContact OH-CA 3.15Å; Y534-E538 VanDerWaalsContact CE2-OE2 3.25Å; Y534-E538 WeakPolarHBondContact CE2-OE2 3.44Å; Y534-E538 VanDerWaalsContact CZ-OE2 3.32Å; Y534-E538 WeakPolarHBondContact OH-CB 3.24Å; Y534-E538 VanDerWaalsContact OH-CG 3.29Å; Y534-E538 WeakPolarHBondContact OH-CG 3.29Å; Y534-E538 PolarHBondContact OH-N 2.81Å; Y534-E538 VanDerWaalsContact OH-N 3.14Å; Y534-E538 PolarHBondContact OH-OE2 3.35Å; Y534-C541 HydrophobicContact CD2-CB 4.12Å; Y534-C541 HydrophobicContact CG-CB 4.06Å
535T90.6Very high85.7Confident94 Ų9482.1 Ų82.158%0.57744%0.44SS*.EExtended strand (participates in β ladder)trans-142118.9163.3-64.30000108.5Y517 T518Y517-T535 VanDerWaalsContact O-CA 3.26Å; Y517-T535 WeakPolarHBondContact O-CA 3.44Å; T518-T535 PolarHBondContact OG1-OG1 2.98Å; T518-T535 VanDerWaalsContact OG1-OG1 3.1Å
536G89.8Confident87Confident18 Ų1877.1 Ų77.119%0.18641%0.413CS..EExtended strand (participates in β ladder)trans174.9178.6-176.500000112.6Y517 Y534Y517-G536 PolarHBondContact N-O 3.16Å; Y517-G536 PolarHBondContact O-N 2.9Å; Y517-G536 VanDerWaalsContact O-N 3.08Å; Y534-G536 VanDerWaalsContact CE1-N 3.32Å; Y534-G536 WeakPolarHBondContact OH-CA 3.15Å
537E89.1Confident88.2Confident133 Ų13375.5 Ų75.562%0.62140%0.395SS*.SBendtrans-87.1-10-173.4-66.4169.6-141.900113.8V514V514-E537 HydrophobicContact CG1-CG 3.93Å; V514-E537 WeakPolarHBondContact CG1-OE1 3.13Å
538E89Confident89.1Confident126 Ų12677.4 Ų77.459%0.58940%0.399SS*.  trans-71.3151.1-175.1-53.2162114.600111.7W503 Y534 A540W503-E538 VanDerWaalsContact CZ2-O 3.24Å; W503-E538 WeakPolarHBondContact CZ2-O 3.37Å; W503-E538 PolarHBondContact NE1-O 2.84Å; Y534-E538 VanDerWaalsContact CE2-OE2 3.25Å; Y534-E538 WeakPolarHBondContact CE2-OE2 3.44Å; Y534-E538 VanDerWaalsContact CZ-OE2 3.32Å; Y534-E538 WeakPolarHBondContact OH-CB 3.24Å; Y534-E538 VanDerWaalsContact OH-CG 3.29Å; Y534-E538 WeakPolarHBondContact OH-CG 3.29Å; Y534-E538 PolarHBondContact OH-N 2.81Å; Y534-E538 VanDerWaalsContact OH-N 3.14Å; Y534-E538 PolarHBondContact OH-OE2 3.35Å; E538-A540 VanDerWaalsContact C-N 3.34Å
539Q91.2Very high89.7Confident92 Ų9273.4 Ų73.443%0.4338%0.376SS..SBendtrans-91.88.2-177.6-70.1-173.4-110.100113.9Q502 W503Q502-Q539 CarbonylContact C-O 3.59Å; Q502-Q539 WeakPolarHBondContact CA-O 3.3Å; Q502-Q539 WeakPolarHBondContact CG-O 3.38Å; W503-Q539 PolarHBondContact N-O 3.16Å; W503-Q539 PolarHBondContact O-NE2 2.96Å
540A92.1Very high89.8Confident42 Ų4271.9 Ų71.935%0.34737%0.367SS..EExtended strand (participates in β ladder)trans-152.2151177.900000110.7L501 Q502 E538L501-A540 CarbonylContact O-C 3.48Å; L501-A540 WeakPolarHBondContact O-CA 3.32Å; L501-A540 WeakPolarHBondContact O-CB 3.26Å; Q502-A540 HydrophobicContact CB-CB 4.17Å; Q502-A540 HydrophobicContact CG-CB 4.27Å; E538-A540 VanDerWaalsContact C-N 3.34Å
541C92.4Very high89.7Confident19 Ų1974.9 Ų74.913%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-142.7145174.4-176.50000110.7T500 L501 W503 L519 Y534T500-C541 WeakPolarHBondContact CA-O 3.45Å; L501-C541 PolarHBondContact N-O 3.04Å; L501-C541 PolarHBondContact O-N 3.33Å; W503-C541 HydrophobicContact CH2-CB 3.69Å; W503-C541 HydrophobicContact CZ3-CB 4.11Å; L519-C541 HydrophobicContact CD2-CB 4.32Å; Y534-C541 HydrophobicContact CD2-CB 4.12Å; Y534-C541 HydrophobicContact CG-CB 4.06Å
542T94.5Very high89.8Confident57 Ų5770.9 Ų70.935%0.3536%0.363SS..EExtended strand (participates in β ladder)trans-108.2102.8167.1-60.10000109.3W498 I499 T500 K544W498-T542 HydrophobicContact CB-CG2 4.08Å; W498-T542 HydrophobicContact CD2-CG2 4.38Å; W498-T542 HydrophobicContact CE3-CG2 4.01Å; W498-T542 HydrophobicContact CG-CG2 4.42Å; I499-T542 CarbonylContact O-C 3.59Å; I499-T542 WeakPolarHBondContact O-CA 3.44Å; T500-T542 WeakPolarHBondContact CG2-OG1 3.22Å; T500-T542 WeakPolarHBondContact OG1-CG2 3.34Å; T500-T542 PolarHBondContact OG1-OG1 3.04Å; T542-K544 HydrophobicContact CG2-CG 4.15Å
543V92.4Very high89.9Confident7 Ų768.8 Ų68.84%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-75.3127.5173.2-175.70000107.9W498 I499 L519 I521 K533 L546 F554W498-V543 CarbonylContact C-O 3.5Å; W498-V543 WeakPolarHBondContact CA-O 3.06Å; W498-V543 WeakPolarHBondContact CB-O 3.16Å; I499-V543 PolarHBondContact N-O 3.04Å; I499-V543 PolarHBondContact O-N 2.76Å; L519-V543 HydrophobicContact CD2-CG2 3.82Å; I521-V543 HydrophobicContact CD1-CG1 4.46Å; K533-V543 HydrophobicContact CB-CG1 4.11Å; K533-V543 HydrophobicContact CB-CG2 4.08Å; K533-V543 HydrophobicContact CD-CG1 4.34Å; K533-V543 HydrophobicContact CG-CG1 3.98Å; V543-L546 HydrophobicContact CG1-CD1 4.48Å; V543-L546 HydrophobicContact CG1-CD2 3.92Å; V543-L546 HydrophobicContact CG1-CG 4.34Å; V543-F554 HydrophobicContact CB-CE1 4.45Å; V543-F554 HydrophobicContact CG2-CE1 4.08Å
544K90.7Very high90.1Very high141 Ų14164.2 Ų64.261%0.61333%0.326SS*.EExtended strand (participates in β ladder)trans-116.6172.7-176.2-60.6179.6-176.1176.70111.1T497 W498 T542 L546T497-K544 CarbonylContact O-C 3.59Å; W498-K544 HydrophobicContact CB-CB 4.45Å; W498-K544 HydrophobicContact CB-CG 4.09Å; T542-K544 HydrophobicContact CG2-CG 4.15Å; K544-L546 VanDerWaalsContact C-N 3.25Å; K544-L546 PolarHBondContact O-N 2.93Å
545N89.2Confident90.1Very high152 Ų15265.8 Ų65.881%0.81333%0.331SS*.SBendtrans6330.8-179.4-51.3-14.5000113.1T497T497-N545 PolarHBondContact O-N 3.38Å
546L89.8Confident90.4Very high7 Ų761.3 Ų61.34%0.03730%0.304CS..PPolyproline II helixtrans-78.1156170.4-57-179.4000110.2T497 I499 I521 V543 K544 Y552 T575T497-L546 VanDerWaalsContact CA-O 3.3Å; T497-L546 WeakPolarHBondContact CA-O 3.41Å; T497-L546 WeakPolarHBondContact CB-O 3.48Å; T497-L546 PolarHBondContact O-N 2.99Å; I499-L546 HydrophobicContact CB-CD1 3.94Å; I499-L546 HydrophobicContact CD1-CD1 3.79Å; I499-L546 HydrophobicContact CG1-CD1 3.73Å; I521-L546 HydrophobicContact CD1-CD2 3.78Å; V543-L546 HydrophobicContact CG1-CD1 4.48Å; V543-L546 HydrophobicContact CG1-CD2 3.92Å; V543-L546 HydrophobicContact CG1-CG 4.34Å; K544-L546 VanDerWaalsContact C-N 3.25Å; K544-L546 PolarHBondContact O-N 2.93Å; L546-Y552 HydrophobicContact CB-CE2 3.77Å; L546-Y552 HydrophobicContact CD1-CD2 4.19Å; L546-Y552 HydrophobicContact CD1-CE2 4.27Å; L546-Y552 HydrophobicContact CD2-CD1 4.21Å; L546-Y552 HydrophobicContact CD2-CE1 3.87Å; L546-Y552 HydrophobicContact CD2-CE2 4.2Å; L546-Y552 HydrophobicContact CG-CE2 4.3Å; L546-T575 HydrophobicContact CB-CG2 3.76Å; L546-T575 HydrophobicContact CD1-CG2 3.89Å; L546-T575 HydrophobicContact CG-CG2 4.5Å
547R86.1Confident90.5Very high123 Ų12361.3 Ų61.346%0.46430%0.299SS..PPolyproline II helixtrans-76.2146.6171.9-53.2176.8-149.1176.711.4108.8E524 T550 Y552 T575E524-R547 IonicContact OE1-CZ 3.67Å; E524-R547 IonicContact OE1-NH1 3.27Å; E524-R547 PolarHBondContact OE1-NH1 3.11Å; E524-R547 IonicContact OE1-NH2 3.86Å; E524-R547 PolarHBondContact OE1-NH2 2.99Å; R547-T550 HydrophobicContact CB-CG2 4.29Å; R547-T550 WeakPolarHBondContact CB-OG1 3.36Å; R547-Y552 WeakPolarHBondContact CB-OH 3.48Å; R547-Y552 WeakPolarHBondContact CG-OH 3.44Å; R547-Y552 PolarHBondContact N-OH 2.88Å; R547-T575 WeakPolarHBondContact O-CB 3.33Å; R547-T575 WeakPolarHBondContact O-CG2 3.45Å; R547-T575 PolarHBondContact O-OG1 3.03Å
548R86.6Confident90.6Very high83 Ų8355 Ų5531%0.31327%0.269SS..THydrogen-bonded Turntrans-72.2153.8177.770.1-172.1176.6-170.6-2.1112.6V496 T550 T575 D606 G608V496-R548 HydrophobicContact CG1-CB 3.58Å; V496-R548 WeakPolarHBondContact O-CA 3.41Å; R548-T550 PolarHBondContact O-N 3.3Å; R548-T550 PolarHBondContact O-OG1 3.15Å; R548-T575 VanDerWaalsContact C-OG1 3.32Å; R548-D606 IonicContact CZ-OD1 2.72Å; R548-D606 IonicContact CZ-OD2 2.64Å; R548-D606 VanDerWaalsContact CZ-OD2 3.25Å; R548-D606 IonicContact NH1-OD1 2.71Å; R548-D606 PolarHBondContact NH1-OD1 2.9Å; R548-D606 IonicContact NH1-OD2 3.22Å; R548-D606 PolarHBondContact NH1-OD2 2.8Å; R548-D606 IonicContact NH2-OD1 2.87Å; R548-D606 PolarHBondContact NH2-OD1 3.03Å; R548-D606 IonicContact NH2-OD2 2.67Å; R548-D606 PolarHBondContact NH2-OD2 3.45Å; R548-G608 WeakPolarHBondContact CD-O 3.48Å
549S84.8Confident90.6Very high52 Ų5249.8 Ų49.836%0.36425%0.247SC..THydrogen-bonded Turntrans45.934.7178.8-144.10000114.1T575 S576 G609S549-T575 WeakPolarHBondContact CA-O 3.36Å; S549-T575 PolarHBondContact N-OG1 3.24Å; S549-T575 VanDerWaalsContact N-OG1 3.1Å; S549-S576 PolarHBondContact N-O 3.32Å; S549-G609 WeakPolarHBondContact CB-O 3.29Å; S549-G609 PolarHBondContact OG-O 2.88Å
550T86.2Confident90.2Very high37 Ų3746.4 Ų46.423%0.22723%0.232CC..  trans-119.9137.2-172-61.80000109.2R547 R548 Y552 T574 T575R547-T550 HydrophobicContact CB-CG2 4.29Å; R547-T550 WeakPolarHBondContact CB-OG1 3.36Å; R548-T550 PolarHBondContact O-N 3.3Å; R548-T550 PolarHBondContact O-OG1 3.15Å; T550-Y552 HydrophobicContact CG2-CD2 4.41Å; T550-Y552 HydrophobicContact CG2-CE2 3.72Å; T550-Y552 WeakPolarHBondContact O-CD2 3.29Å; T550-T574 WeakPolarHBondContact O-CA 3.41Å; T550-T575 PolarHBondContact N-OG1 3.19Å; T550-T575 PolarHBondContact O-N 2.64Å; T550-T575 PolarHBondContact O-OG1 2.98Å
551Q88.8Confident89.6Confident91 Ų9150 Ų5043%0.42525%0.249SC..EExtended strand (participates in β ladder)trans-85134.4179.2-171.2173.4104.500111.1V572Q551-V572 HydrophobicContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact OE1-CG1 3.3Å
552Y90Very high89Confident1 Ų151.7 Ų51.70%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-127.4142.6-179.1-72.6-77.8000110.4I499 I521 E523 L546 R547 T550 C573 T575I499-Y552 HydrophobicContact CD1-CD2 4.29Å; I521-Y552 HydrophobicContact CD1-CD1 3.41Å; I521-Y552 VanDerWaalsContact CD1-CD1 3.41Å; I521-Y552 HydrophobicContact CD1-CE1 4.17Å; I521-Y552 HydrophobicContact CD1-CG 3.9Å; I521-Y552 HydrophobicContact CG1-CD1 4.01Å; E523-Y552 HydrophobicContact CB-CD1 4.31Å; E523-Y552 HydrophobicContact CB-CE1 3.82Å; E523-Y552 HydrophobicContact CG-CD1 4.23Å; E523-Y552 HydrophobicContact CG-CE1 3.82Å; L546-Y552 HydrophobicContact CB-CE2 3.77Å; L546-Y552 HydrophobicContact CD1-CD2 4.19Å; L546-Y552 HydrophobicContact CD1-CE2 4.27Å; L546-Y552 HydrophobicContact CD2-CD1 4.21Å; L546-Y552 HydrophobicContact CD2-CE1 3.87Å; L546-Y552 HydrophobicContact CD2-CE2 4.2Å; L546-Y552 HydrophobicContact CG-CE2 4.3Å; R547-Y552 WeakPolarHBondContact CB-OH 3.48Å; R547-Y552 WeakPolarHBondContact CG-OH 3.44Å; R547-Y552 PolarHBondContact N-OH 2.88Å; T550-Y552 HydrophobicContact CG2-CD2 4.41Å; T550-Y552 HydrophobicContact CG2-CE2 3.72Å; T550-Y552 WeakPolarHBondContact O-CD2 3.29Å; Y552-C573 PolarHBondContact N-O 3.23Å; Y552-C573 PolarHBondContact O-N 3.31Å; Y552-T575 HydrophobicContact CD2-CG2 4.11Å; Y552-T575 HydrophobicContact CE2-CG2 3.95Å
553K92.4Very high88.3Confident40 Ų4050.1 Ų50.117%0.17425%0.25CS..EExtended strand (participates in β ladder)trans-111.7133.8176.6-57.6177.7-165.3154.20109.5I521 Q522 D525 F530 I570 L571 V572I521-K553 CarbonylContact C-O 3.56Å; I521-K553 VanDerWaalsContact CA-O 3.26Å; I521-K553 WeakPolarHBondContact CA-O 3.42Å; I521-K553 WeakPolarHBondContact CG1-O 3.01Å; Q522-K553 HydrophobicContact CB-CB 4.25Å; Q522-K553 PolarHBondContact N-O 3.11Å; Q522-K553 VanDerWaalsContact NE2-NZ 3.13Å; Q522-K553 PolarHBondContact O-N 2.88Å; D525-K553 WeakPolarHBondContact OD1-CE 3.44Å; D525-K553 IonicContact OD1-NZ 3.86Å; D525-K553 PolarHBondContact OD1-NZ 3.21Å; F530-K553 HydrophobicContact CE1-CB 4.35Å; F530-K553 HydrophobicContact CZ-CB 4.26Å; K553-I570 HydrophobicContact CB-CG2 3.75Å; K553-I570 HydrophobicContact CD-CG2 4.49Å; K553-I570 HydrophobicContact CG-CG2 4.32Å; K553-L571 CarbonylContact C-O 3.6Å; K553-L571 WeakPolarHBondContact CA-O 3.32Å; K553-V572 HydrophobicContact CG-CG2 4.3Å
554F93.6Very high87.9Confident0 Ų054.2 Ų54.20%027%0.267CS..EExtended strand (participates in β ladder)trans-125.7141.5-175.2-64.1-92.3000111.2P489 I499 L501 L519 E520 I521 V543 I570 L571 C573P489-F554 HydrophobicContact CG-CB 4.4Å; I499-F554 HydrophobicContact CB-CZ 4.21Å; I499-F554 HydrophobicContact CD1-CE2 3.9Å; I499-F554 HydrophobicContact CD1-CZ 4Å; I499-F554 HydrophobicContact CG2-CE2 4.26Å; I499-F554 HydrophobicContact CG2-CZ 4.13Å; L501-F554 HydrophobicContact CD1-CB 3.89Å; L501-F554 HydrophobicContact CD1-CD1 3.57Å; L501-F554 HydrophobicContact CD1-CD2 4.03Å; L501-F554 HydrophobicContact CD1-CE1 4Å; L501-F554 HydrophobicContact CD1-CE2 4.43Å; L501-F554 HydrophobicContact CD1-CG 3.57Å; L501-F554 HydrophobicContact CD1-CZ 4.41Å; L519-F554 HydrophobicContact CD1-CB 4.39Å; L519-F554 HydrophobicContact CD1-CD1 4.39Å; L519-F554 HydrophobicContact CD2-CD1 4.28Å; L519-F554 HydrophobicContact CG-CD1 4.4Å; E520-F554 WeakPolarHBondContact O-CA 3.47Å; I521-F554 HydrophobicContact CB-CD1 4.05Å; I521-F554 HydrophobicContact CB-CE1 4.06Å; I521-F554 HydrophobicContact CD1-CD1 4.14Å; I521-F554 HydrophobicContact CD1-CE1 3.35Å; I521-F554 HydrophobicContact CD1-CE2 4.28Å; I521-F554 HydrophobicContact CD1-CZ 3.44Å; I521-F554 VanDerWaalsContact CD1-CZ 3.44Å; I521-F554 HydrophobicContact CG1-CD1 3.76Å; I521-F554 HydrophobicContact CG1-CE1 3.51Å; I521-F554 HydrophobicContact CG1-CE2 4.38Å; I521-F554 HydrophobicContact CG1-CG 4.31Å; I521-F554 HydrophobicContact CG1-CZ 3.85Å; V543-F554 HydrophobicContact CB-CE1 4.45Å; V543-F554 HydrophobicContact CG2-CE1 4.08Å; F554-I570 WeakPolarHBondContact O-CA 3.38Å; F554-L571 HydrophobicContact CB-CB 4.36Å; F554-L571 PolarHBondContact N-O 3.11Å; F554-L571 PolarHBondContact O-N 3.35Å; F554-C573 HydrophobicContact CD2-CB 4.49Å; F554-C573 HydrophobicContact CE2-CB 4.16Å
555R94.1Very high87.8Confident67 Ų6748.1 Ų48.125%0.25324%0.242SC..EExtended strand (participates in β ladder)trans-138.3150.1170.570.5-173.4-170.7-175.94.8110.9E520 F530 F557E520-R555 HydrophobicContact CB-CG 4.11Å; E520-R555 PolarHBondContact N-O 3.38Å; E520-R555 PolarHBondContact O-N 2.92Å; E520-R555 IonicContact OE2-CZ 3.28Å; E520-R555 VanDerWaalsContact OE2-CZ 3.22Å; E520-R555 IonicContact OE2-NE 3.87Å; E520-R555 PolarHBondContact OE2-NE 3.11Å; E520-R555 IonicContact OE2-NH2 2.84Å; E520-R555 PolarHBondContact OE2-NH2 2.79Å; F530-R555 HydrophobicContact CD1-CG 3.67Å; F530-R555 HydrophobicContact CE1-CB 4.28Å; F530-R555 HydrophobicContact CE1-CG 3.87Å; F530-R555 HydrophobicContact CG-CG 4.3Å; R555-F557 HydrophobicContact CG-CE2 3.99Å
556L94.9Very high87.8Confident0 Ų044.4 Ų44.40%023%0.228CC..EExtended strand (participates in β ladder)trans-119.2147.6-174.2-170.368.6000111P486 W503 Y517 L519 P567 S568P486-L556 HydrophobicContact CB-CD2 4.01Å; P486-L556 HydrophobicContact CB-CG 4.35Å; P486-L556 HydrophobicContact CG-CB 4.22Å; P486-L556 HydrophobicContact CG-CD2 4.32Å; P486-L556 HydrophobicContact CG-CG 4.13Å; P486-L556 WeakPolarHBondContact CG-O 2.82Å; W503-L556 HydrophobicContact CB-CD2 3.45Å; W503-L556 VanDerWaalsContact CB-CD2 3.45Å; W503-L556 HydrophobicContact CD2-CD1 3.92Å; W503-L556 HydrophobicContact CD2-CD2 3.62Å; W503-L556 HydrophobicContact CD2-CG 4.45Å; W503-L556 HydrophobicContact CE3-CD1 4.11Å; W503-L556 HydrophobicContact CE3-CD2 4.18Å; W503-L556 HydrophobicContact CG-CD1 4.43Å; W503-L556 HydrophobicContact CG-CD2 3.29Å; W503-L556 HydrophobicContact CG-CG 4.49Å; W503-L556 HydrophobicContact CH2-CD1 4.27Å; W503-L556 HydrophobicContact CZ2-CD1 4.1Å; W503-L556 HydrophobicContact CZ3-CD1 4.28Å; Y517-L556 HydrophobicContact CD1-CD2 4.39Å; L519-L556 HydrophobicContact CB-CD1 4.15Å; L519-L556 HydrophobicContact CD1-CD1 4.07Å; L556-P567 CarbonylContact O-C 3.56Å; L556-P567 WeakPolarHBondContact O-CA 3.39Å; L556-S568 PolarHBondContact N-OG 3.46Å; L556-S568 PolarHBondContact O-N 3.45Å
557F93.1Very high87.9Confident17 Ų1746.6 Ų46.68%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-132.1150.2171.7-61.7-103.7000110.2Y517 T518 E520 R555 K564 S565 P567Y517-F557 CarbonylContact C-O 3.49Å; Y517-F557 VanDerWaalsContact CA-O 3.26Å; Y517-F557 WeakPolarHBondContact CA-O 3.37Å; T518-F557 PolarHBondContact N-O 3.32Å; T518-F557 PolarHBondContact O-N 3.49Å; E520-F557 HydrophobicContact CG-CD2 4.43Å; E520-F557 HydrophobicContact CG-CE2 4.14Å; E520-F557 VanDerWaalsContact OE1-CE2 3.23Å; E520-F557 WeakPolarHBondContact OE1-CE2 3.48Å; E520-F557 VanDerWaalsContact OE2-CE2 3.29Å; E520-F557 WeakPolarHBondContact OE2-CE2 3.36Å; R555-F557 HydrophobicContact CG-CE2 3.99Å; F557-K564 HydrophobicContact CB-CD 4.3Å; F557-K564 VanDerWaalsContact CB-CE 3.46Å; F557-K564 HydrophobicContact CB-CG 3.99Å; F557-K564 HydrophobicContact CD1-CD 4.12Å; F557-K564 HydrophobicContact CD1-CG 3.91Å; F557-K564 HydrophobicContact CG-CD 4.28Å; F557-K564 HydrophobicContact CG-CG 4.25Å; F557-S565 WeakPolarHBondContact CD1-O 3.47Å; F557-P567 HydrophobicContact CD1-CB 4.2Å; F557-P567 HydrophobicContact CE1-CB 3.65Å; F557-P567 HydrophobicContact CE1-CG 4.1Å; F557-P567 HydrophobicContact CE2-CB 4.06Å; F557-P567 HydrophobicContact CZ-CB 3.59Å; F557-P567 HydrophobicContact CZ-CG 4.22Å
558A90.3Very high88.2Confident0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-111.5138.7170.800000110P483 V506 I515 S516 Y517 S565P483-A558 HydrophobicContact CB-CB 3.8Å; P483-A558 HydrophobicContact CG-CB 4.34Å; V506-A558 HydrophobicContact CB-CB 4.41Å; V506-A558 HydrophobicContact CG2-CB 3.83Å; I515-A558 HydrophobicContact CG2-CB 3.88Å; S516-A558 CarbonylContact O-C 3.46Å; S516-A558 WeakPolarHBondContact O-CA 3.21Å; Y517-A558 HydrophobicContact CD1-CB 4.16Å; Y517-A558 HydrophobicContact CE1-CB 3.94Å; A558-S565 PolarHBondContact N-OG 3.38Å; A558-S565 VanDerWaalsContact O-CB 3.31Å; A558-S565 WeakPolarHBondContact O-CB 3.32Å; A558-S565 PolarHBondContact O-N 3.09Å; A558-S565 PolarHBondContact O-OG 3.11Å
559S88.6Confident88.5Confident17 Ų1744.8 Ų44.812%0.11924%0.244CC..EExtended strand (participates in β ladder)trans-139.9136.4-175.4-45.30000112.2S516 G563 K564S516-S559 PolarHBondContact N-O 3.33Å; S516-S559 PolarHBondContact O-N 3.25Å; S516-S559 PolarHBondContact OG-O 3.41Å; S559-G563 VanDerWaalsContact CA-O 3.28Å; S559-G563 WeakPolarHBondContact CA-O 3.41Å; S559-K564 WeakPolarHBondContact OG-CB 3.32Å; S559-K564 WeakPolarHBondContact OG-CG 3.49Å
560N84.5Confident88.8Confident22 Ų2246.6 Ų46.612%0.11825%0.249CC..  trans-128.3-165174.969.9-4.1000110.8N481 P483 E513 E562 G563N481-N560 PolarHBondContact O-ND2 2.96Å; P483-N560 WeakPolarHBondContact CD-OD1 3.43Å; P483-N560 HydrophobicContact CG-CB 3.97Å; E513-N560 HydrophobicContact CG-CB 4.3Å; E513-N560 PolarHBondContact OE1-ND2 3.33Å; N560-E562 PolarHBondContact O-N 2.87Å; N560-E562 PolarHBondContact OD1-N 2.97Å; N560-G563 PolarHBondContact N-O 3.17Å; N560-G563 PolarHBondContact O-N 3.33Å; N560-G563 PolarHBondContact OD1-N 3.26Å; N560-G563 PolarHBondContact OD1-O 3.46Å
561V78.9Confident89.2Confident116 Ų11646.5 Ų46.570%0.70325%0.247SC*.SBendtrans-71.1-5.5179-59.30000115.1
562E79.7Confident89.3Confident56 Ų5645.7 Ų45.726%0.26225%0.248SC..SBendtrans-105.8-22.1176.7-60.8-66.1160.700112.7R398 A479 G480 I482 N560R398-E562 IonicContact CZ-OE1 2.59Å; R398-E562 VanDerWaalsContact CZ-OE1 3.27Å; R398-E562 IonicContact NE-OE1 2.65Å; R398-E562 PolarHBondContact NE-OE1 3.37Å; R398-E562 IonicContact NE-OE2 2.97Å; R398-E562 IonicContact NH2-OE1 3.95Å; R398-E562 PolarHBondContact NH2-OE1 3.16Å; R398-E562 IonicContact NH2-OE2 3.37Å; A479-E562 WeakPolarHBondContact CA-OE1 3.35Å; G480-E562 VanDerWaalsContact N-CD 3.27Å; G480-E562 PolarHBondContact N-OE1 3.32Å; I482-E562 HydrophobicContact CG1-CB 4.22Å; N560-E562 PolarHBondContact O-N 2.87Å; N560-E562 PolarHBondContact OD1-N 2.97Å
563G79.4Confident89.3Confident24 Ų2446 Ų4625%0.24725%0.25CC..  trans158.9-177.1172.800000115.8S559 N560S559-G563 VanDerWaalsContact CA-O 3.28Å; S559-G563 WeakPolarHBondContact CA-O 3.41Å; N560-G563 PolarHBondContact N-O 3.17Å; N560-G563 PolarHBondContact O-N 3.33Å; N560-G563 PolarHBondContact OD1-N 3.26Å; N560-G563 PolarHBondContact OD1-O 3.46Å
564K84.1Confident89.1Confident92 Ų9247.3 Ų47.340%0.426%0.261SS..BIsolated β-bridgetrans-94.5137.5173179.3170.5175.9177.60109.7I482 E520 F557 S559I482-K564 WeakPolarHBondContact CG2-O 3.3Å; E520-K564 IonicContact OE1-NZ 2.79Å; E520-K564 PolarHBondContact OE1-NZ 3.42Å; F557-K564 HydrophobicContact CB-CD 4.3Å; F557-K564 VanDerWaalsContact CB-CE 3.46Å; F557-K564 HydrophobicContact CB-CG 3.99Å; F557-K564 HydrophobicContact CD1-CD 4.12Å; F557-K564 HydrophobicContact CD1-CG 3.91Å; F557-K564 HydrophobicContact CG-CD 4.28Å; F557-K564 HydrophobicContact CG-CG 4.25Å; S559-K564 WeakPolarHBondContact OG-CB 3.32Å; S559-K564 WeakPolarHBondContact OG-CG 3.49Å
565S89.6Confident89Confident13 Ų1347.4 Ų47.49%0.09126%0.262CS..  trans-67.2178.8179.371.30000112.9P483 P486 F557 A558P483-S565 WeakPolarHBondContact O-CB 3.35Å; P486-S565 WeakPolarHBondContact CD-OG 3.41Å; F557-S565 WeakPolarHBondContact CD1-O 3.47Å; A558-S565 PolarHBondContact N-OG 3.38Å; A558-S565 VanDerWaalsContact O-CB 3.31Å; A558-S565 WeakPolarHBondContact O-CB 3.32Å; A558-S565 PolarHBondContact O-N 3.09Å; A558-S565 PolarHBondContact O-OG 3.11Å
566S88.3Confident88.8Confident74 Ų7446.2 Ų46.252%0.51726%0.264SS..PPolyproline II helixtrans-67.7157.7157.1-68.50000110.7
567P91.3Very high88.5Confident54 Ų5447.6 Ų47.635%0.35127%0.273SS..PPolyproline II helixtrans-67.6150.8174.127.4-33000111.6T485 L556 F557T485-P567 WeakPolarHBondContact CG2-O 3.14Å; L556-P567 CarbonylContact O-C 3.56Å; L556-P567 WeakPolarHBondContact O-CA 3.39Å; F557-P567 HydrophobicContact CD1-CB 4.2Å; F557-P567 HydrophobicContact CE1-CB 3.65Å; F557-P567 HydrophobicContact CE1-CG 4.1Å; F557-P567 HydrophobicContact CE2-CB 4.06Å; F557-P567 HydrophobicContact CZ-CB 3.59Å; F557-P567 HydrophobicContact CZ-CG 4.22Å
568S92.8Very high88.3Confident8 Ų849.8 Ų49.86%0.05629%0.285CS..PPolyproline II helixtrans-60.1168162.373.10000111.9P486 L556P486-S568 WeakPolarHBondContact O-CA 3.42Å; P486-S568 WeakPolarHBondContact O-CB 3.23Å; L556-S568 PolarHBondContact N-OG 3.46Å; L556-S568 PolarHBondContact O-N 3.45Å
569E92.4Very high88.2Confident159 Ų15957.7 Ų57.774%0.74332%0.315SS*.PPolyproline II helixtrans-56.2155.5159.2-60-178.2152.600111A488A488-E569 HydrophobicContact CB-CB 4.29Å
570I92.6Very high88.4Confident91 Ų9157.1 Ų57.147%0.46731%0.311SS..PPolyproline II helixtrans-84.2117.6-175.7-63.1171.3000109.7F530 K553 F554 V572F530-I570 HydrophobicContact CE2-CD1 4.49Å; F530-I570 HydrophobicContact CZ-CD1 4.01Å; F530-I570 HydrophobicContact CZ-CG1 4.31Å; K553-I570 HydrophobicContact CB-CG2 3.75Å; K553-I570 HydrophobicContact CD-CG2 4.49Å; K553-I570 HydrophobicContact CG-CG2 4.32Å; F554-I570 WeakPolarHBondContact O-CA 3.38Å; I570-V572 HydrophobicContact CG2-CG2 4.4Å
571L93.3Very high88.8Confident35 Ų3557 Ų5718%0.18332%0.316CS..EExtended strand (participates in β ladder)trans-80.9129.216717776.1000109.3P489 L501 K553 F554 C573P489-L571 HydrophobicContact CB-CD2 4.48Å; P489-L571 HydrophobicContact CG-CB 4.01Å; P489-L571 HydrophobicContact CG-CD2 4.15Å; P489-L571 WeakPolarHBondContact O-CD2 3.33Å; L501-L571 HydrophobicContact CD1-CD2 4.02Å; L501-L571 HydrophobicContact CD2-CD2 3.5Å; L501-L571 HydrophobicContact CG-CD2 4.41Å; K553-L571 CarbonylContact C-O 3.6Å; K553-L571 WeakPolarHBondContact CA-O 3.32Å; F554-L571 HydrophobicContact CB-CB 4.36Å; F554-L571 PolarHBondContact N-O 3.11Å; F554-L571 PolarHBondContact O-N 3.35Å; L571-C573 WeakPolarHBondContact CD2-SG 3.28Å; L571-C573 VanDerWaalsContact CG-SG 3.6Å
572V91.8Very high89.5Confident73 Ų7354.4 Ų54.444%0.44230%0.301SS..EExtended strand (participates in β ladder)trans-105.6128.4172.1-171.20000109.3Q551 K553 I570Q551-V572 HydrophobicContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact OE1-CG1 3.3Å; K553-V572 HydrophobicContact CG-CG2 4.3Å; I570-V572 HydrophobicContact CG2-CG2 4.4Å
573C89.1Confident90.2Very high7 Ų752 Ų525%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-141.1140.7-178.7-73.40000111.4I499 Y552 F554 L571I499-C573 HydrophobicContact CD1-CB 3.92Å; Y552-C573 PolarHBondContact N-O 3.23Å; Y552-C573 PolarHBondContact O-N 3.31Å; F554-C573 HydrophobicContact CD2-CB 4.49Å; F554-C573 HydrophobicContact CE2-CB 4.16Å; L571-C573 WeakPolarHBondContact CD2-SG 3.28Å; L571-C573 VanDerWaalsContact CG-SG 3.6Å
574T89.3Confident91Very high68 Ų6853.7 Ų53.742%0.41730%0.296SS..EExtended strand (participates in β ladder)trans-101.8138.5172.3-44.10000110T550T550-T574 WeakPolarHBondContact O-CA 3.41Å
575T90.2Very high91.4Very high3 Ų354 Ų542%0.01829%0.294CS..PPolyproline II helixtrans-67153.1166.543.50000111G495 I499 L546 R547 R548 S549 T550 Y552G495-T575 WeakPolarHBondContact O-CB 3.25Å; I499-T575 HydrophobicContact CD1-CG2 3.92Å; I499-T575 HydrophobicContact CG1-CG2 3.99Å; L546-T575 HydrophobicContact CB-CG2 3.76Å; L546-T575 HydrophobicContact CD1-CG2 3.89Å; L546-T575 HydrophobicContact CG-CG2 4.5Å; R547-T575 WeakPolarHBondContact O-CB 3.33Å; R547-T575 WeakPolarHBondContact O-CG2 3.45Å; R547-T575 PolarHBondContact O-OG1 3.03Å; R548-T575 VanDerWaalsContact C-OG1 3.32Å; S549-T575 WeakPolarHBondContact CA-O 3.36Å; S549-T575 PolarHBondContact N-OG1 3.24Å; S549-T575 VanDerWaalsContact N-OG1 3.1Å; T550-T575 PolarHBondContact N-OG1 3.19Å; T550-T575 PolarHBondContact O-N 2.64Å; T550-T575 PolarHBondContact O-OG1 2.98Å; Y552-T575 HydrophobicContact CD2-CG2 4.11Å; Y552-T575 HydrophobicContact CE2-CG2 3.95Å
576S89.9Confident91.7Very high41 Ų4153.3 Ų53.329%0.28729%0.29SS..PPolyproline II helixtrans-65.7150.7177.2-50.70000111.1A494 G495 S549A494-S576 PolarHBondContact O-OG 3.3Å; G495-S576 PolarHBondContact O-N 3.46Å; S549-S576 PolarHBondContact N-O 3.32Å
577P88.5Confident92.1Very high29 Ų2954.2 Ų54.219%0.18829%0.288CS..PPolyproline II helixtrans-65.3154.6162.429.9-34.3000110.3
578D89.4Confident92.3Very high63 Ų6354.5 Ų54.534%0.33729%0.286SS..PPolyproline II helixtrans-89.8170.7171.8-153.2-10000110.8V496 G608 G661V496-D578 HydrophobicContact CG1-CB 3.62Å; V496-D578 HydrophobicContact CG2-CB 4.29Å; D578-G608 PolarHBondContact N-O 2.92Å; D578-G661 WeakPolarHBondContact O-CA 3.42Å
579R89.4Confident92.3Very high166 Ų16658.7 Ų58.763%0.62630%0.303SS*.PPolyproline II helixtrans-62.9143.8168.6-67.5175.9-176.1-159.13.8110G661 H663R579-G661 VanDerWaalsContact CG-O 3.32Å; R579-G661 WeakPolarHBondContact CG-O 3.48Å; R579-H663 WeakPolarHBondContact CD-O 3.5Å
580P92.6Very high92.2Very high5 Ų553.9 Ų53.93%0.03230%0.296CS..PPolyproline II helixtrans-70155173.322.7-19.8000110.7P604 I612 S659 G662 S664P580-P604 HydrophobicContact CB-CG 4.3Å; P580-I612 HydrophobicContact CB-CD1 3.59Å; P580-I612 HydrophobicContact CG-CD1 3.96Å; P580-S659 WeakPolarHBondContact CD-OG 3.35Å; P580-G662 WeakPolarHBondContact CD-O 3.29Å; P580-S664 VanDerWaalsContact O-CA 3.24Å; P580-S664 WeakPolarHBondContact O-CA 3.49Å; P580-S664 WeakPolarHBondContact O-CB 3.4Å
581G92.1Very high92Very high21 Ų2154.9 Ų54.922%0.21631%0.308CS..PPolyproline II helixtrans-65.3169.5168.700000111.8P604 D606 S664G581-P604 WeakPolarHBondContact O-CB 3.21Å; G581-D606 PolarHBondContact N-O 3.48Å; G581-S664 WeakPolarHBondContact O-CB 3.44Å
582P93.4Very high92Very high60 Ų6055.7 Ų55.739%0.3931%0.313SS..PPolyproline II helixtrans-63.7141172.528.1-34000110.9P604 Q665P582-P604 WeakPolarHBondContact O-CB 3.39Å; P582-Q665 WeakPolarHBondContact CA-O 3.24Å; P582-Q665 WeakPolarHBondContact CB-O 3.44Å
583P95.8Very high91.9Very high5 Ų555.5 Ų55.53%0.03231%0.312CS..PPolyproline II helixtrans-55.7164.3162.3-23.134.1000111.6Y615 A655 C657 S667P583-Y615 HydrophobicContact CB-CE1 4.49Å; P583-Y615 HydrophobicContact CG-CD1 4.02Å; P583-Y615 HydrophobicContact CG-CE1 4.15Å; P583-A655 HydrophobicContact CB-CB 4Å; P583-A655 WeakPolarHBondContact CD-O 3.13Å; P583-A655 HydrophobicContact CG-CB 4.28Å; P583-C657 HydrophobicContact CG-CB 3.9Å; P583-S667 WeakPolarHBondContact O-CB 3.24Å
584T94.4Very high91.8Very high61 Ų6156.5 Ų56.537%0.37432%0.319SS..PPolyproline II helixtrans-62.7151.5173.464.60000111P586 D602T584-P586 WeakPolarHBondContact O-CD 3.24Å; T584-D602 HydrophobicContact CG2-CB 3.9Å; T584-D602 PolarHBondContact N-O 3.41Å; T584-D602 WeakPolarHBondContact OG1-CB 3.17Å; T584-D602 PolarHBondContact OG1-N 3.39Å
585R94.1Very high91.7Very high97 Ų9757.7 Ų57.737%0.36632%0.319SS..PPolyproline II helixtrans-55.5126.8174.4-179.4176.6-176.5-96.612.6109.7E668 S669 P671R585-E668 HydrophobicContact CB-CB 4.32Å; R585-E668 HydrophobicContact CG-CB 4.12Å; R585-S669 PolarHBondContact NE-O 3.46Å; R585-S669 PolarHBondContact NH2-O 2.92Å; R585-P671 VanDerWaalsContact NH2-CD 3.3Å
586P95.8Very high91.8Very high0 Ų057.8 Ų57.80%032%0.321CS..PPolyproline II helixtrans-52.5144.4176.9-29.635.2000112.9T584 V599 K600 L617 A655 S667 L670T584-P586 WeakPolarHBondContact O-CD 3.24Å; P586-V599 HydrophobicContact CB-CB 4.36Å; P586-V599 HydrophobicContact CB-CG1 4.44Å; P586-K600 CarbonylContact C-O 3.44Å; P586-K600 WeakPolarHBondContact CA-O 3.24Å; P586-L617 HydrophobicContact CG-CD1 4.21Å; P586-A655 HydrophobicContact CG-CB 3.93Å; P586-S667 VanDerWaalsContact CD-OG 3.24Å; P586-S667 WeakPolarHBondContact CD-OG 3.43Å; P586-L670 HydrophobicContact CB-CB 4.3Å; P586-L670 HydrophobicContact CB-CD2 4.14Å; P586-L670 WeakPolarHBondContact O-CD2 3.5Å
587I95.3Very high92.1Very high93 Ų9356 Ų5648%0.47731%0.308SS..EExtended strand (participates in β ladder)trans-124.6149.6174.258.6168.9000110.1V599 K600I587-V599 CarbonylContact O-C 3.44Å; I587-V599 VanDerWaalsContact O-CA 3.24Å; I587-V599 WeakPolarHBondContact O-CA 3.35Å; I587-K600 HydrophobicContact CG1-CB 4.41Å; I587-K600 WeakPolarHBondContact CG1-O 3.49Å; I587-K600 PolarHBondContact N-O 2.97Å; I587-K600 PolarHBondContact O-N 3.18Å
588I96.3Very high92.4Very high59 Ų5956 Ų5630%0.30331%0.309SS..EExtended strand (participates in β ladder)trans-69.8137.3175.2-64.4-64.5000110.4G590 I592 F597 V599 L670 V672I588-G590 VanDerWaalsContact CG2-O 3.27Å; I588-G590 WeakPolarHBondContact CG2-O 3.49Å; I588-I592 HydrophobicContact CD1-CD1 4.44Å; I588-I592 HydrophobicContact CD1-CG1 4.38Å; I588-I592 HydrophobicContact CG1-CD1 4.45Å; I588-I592 HydrophobicContact CG2-CG1 4.16Å; I588-F597 HydrophobicContact CD1-CB 4.29Å; I588-F597 HydrophobicContact CD1-CD2 4Å; I588-F597 HydrophobicContact CD1-CG 4.22Å; I588-V599 HydrophobicContact CD1-CG1 4.04Å; I588-L670 HydrophobicContact CD1-CD2 4.12Å; I588-L670 HydrophobicContact CG1-CD2 4.28Å; I588-V672 HydrophobicContact CD1-CB 4.47Å; I588-V672 HydrophobicContact CD1-CG1 3.77Å; I588-V672 HydrophobicContact CD1-CG2 3.8Å
589K93.3Very high92.7Very high97 Ų9753 Ų5342%0.42229%0.293SS..EExtended strand (participates in β ladder)trans-116.6107.4175.2-179.9-178176.2178.30109.1S598 E639K589-S598 PolarHBondContact N-O 2.97Å; K589-S598 WeakPolarHBondContact O-CB 3.47Å; K589-E639 IonicContact NZ-OE1 3.81Å; K589-E639 PolarHBondContact NZ-OE1 3.26Å; K589-E639 IonicContact NZ-OE2 2.7Å; K589-E639 PolarHBondContact NZ-OE2 3.43Å
590G89.9Confident93Very high57 Ų5747.8 Ų47.859%0.58827%0.274SS*.SBendtrans79.6-164.2-178.900000113.9I588I588-G590 VanDerWaalsContact CG2-O 3.27Å; I588-G590 WeakPolarHBondContact CG2-O 3.49Å
591P89Confident93.2Very high112 Ų11247.5 Ų47.573%0.72727%0.273SS*.  trans-72.3150.9-177.930.2-34.9000112.5
592I92Very high93.4Very high53 Ų5349.8 Ų49.827%0.27228%0.28SS..  trans-85.9140.9166-62.5168.3000107.8I588 F597 V672 L675I588-I592 HydrophobicContact CD1-CD1 4.44Å; I588-I592 HydrophobicContact CD1-CG1 4.38Å; I588-I592 HydrophobicContact CG1-CD1 4.45Å; I588-I592 HydrophobicContact CG2-CG1 4.16Å; I592-F597 HydrophobicContact CB-CB 4.42Å; I592-F597 HydrophobicContact CG1-CB 4.08Å; I592-F597 HydrophobicContact CG2-CB 4.33Å; I592-F597 HydrophobicContact CG2-CD1 4.31Å; I592-V672 HydrophobicContact CD1-CG1 3.8Å; I592-V672 HydrophobicContact CG1-CG1 4.36Å; I592-L675 HydrophobicContact CG2-CG 4.41Å; I592-L675 WeakPolarHBondContact O-CD1 3.29Å
593T89.7Confident93.4Very high69 Ų6950.2 Ų50.242%0.42328%0.283SS..  trans-113.6-178.3172.677.20000110.5H595 G596 L675T593-H595 PolarHBondContact OG1-N 3.24Å; T593-G596 PolarHBondContact N-O 3.01Å; T593-G596 PolarHBondContact OG1-N 3.31Å; T593-G596 VanDerWaalsContact OG1-N 3.11Å; T593-G596 PolarHBondContact OG1-O 3.06Å; T593-G596 VanDerWaalsContact OG1-O 3.08Å; T593-L675 PolarHBondContact O-N 2.88Å
594S87Confident93.4Very high28 Ų2850.6 Ų50.620%0.19629%0.285CS..SBendtrans-69.5-36.9173.949.20000113.4K646 P647 T674 L675S594-K646 CarbonylContact O-C 3.51Å; S594-P647 VanDerWaalsContact O-CA 3.28Å; S594-P647 WeakPolarHBondContact O-CA 3.47Å; S594-T674 VanDerWaalsContact O-CB 3.3Å; S594-T674 WeakPolarHBondContact O-CB 3.39Å; S594-T674 WeakPolarHBondContact O-CG2 3.37Å; S594-L675 WeakPolarHBondContact CA-O 3.41Å
595H88Confident93.2Very high93 Ų9357.6 Ų57.643%0.43131%0.314SS..SBendtrans-108.88.4-174.6-61.4-66.3000114T593 T643 H644 L645 P647T593-H595 PolarHBondContact OG1-N 3.24Å; H595-T643 CarbonylContact O-C 3.55Å; H595-T643 VanDerWaalsContact O-C 3.28Å; H595-T643 WeakPolarHBondContact O-CA 3.47Å; H595-H644 PolarHBondContact O-N 3Å; H595-L645 WeakPolarHBondContact CA-O 3.13Å; H595-L645 PolarHBondContact ND1-O 3.11Å; H595-L645 PolarHBondContact O-N 2.91Å; H595-P647 WeakPolarHBondContact CE1-CG 3.25Å
596G91.8Very high93Very high5 Ų555.9 Ų55.95%0.05231%0.312CS..  trans178.4174.9-178.400000116T593 C642T593-G596 PolarHBondContact N-O 3.01Å; T593-G596 PolarHBondContact OG1-N 3.31Å; T593-G596 VanDerWaalsContact OG1-N 3.11Å; T593-G596 PolarHBondContact OG1-O 3.06Å; T593-G596 VanDerWaalsContact OG1-O 3.08Å; G596-C642 CarbonylContact C-O 3.59Å; G596-C642 WeakPolarHBondContact CA-O 3.32Å
597F95.6Very high92.7Very high4 Ų459.2 Ų59.22%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-162.7155.6171.146.1-101.6000109I588 I592 V599 C642 L645 Y651 L653 V672 T674I588-F597 HydrophobicContact CD1-CB 4.29Å; I588-F597 HydrophobicContact CD1-CD2 4Å; I588-F597 HydrophobicContact CD1-CG 4.22Å; I592-F597 HydrophobicContact CB-CB 4.42Å; I592-F597 HydrophobicContact CG1-CB 4.08Å; I592-F597 HydrophobicContact CG2-CB 4.33Å; I592-F597 HydrophobicContact CG2-CD1 4.31Å; F597-V599 HydrophobicContact CD2-CG1 4.09Å; F597-V599 HydrophobicContact CE2-CG1 4.21Å; F597-C642 HydrophobicContact CD2-CB 4.4Å; F597-C642 HydrophobicContact CE2-CB 4.09Å; F597-C642 HydrophobicContact CZ-CB 4.45Å; F597-C642 PolarHBondContact N-O 2.84Å; F597-C642 PolarHBondContact O-N 2.86Å; F597-L645 HydrophobicContact CD1-CD1 3.84Å; F597-L645 HydrophobicContact CE1-CD1 3.22Å; F597-L645 HydrophobicContact CE2-CD1 4.43Å; F597-L645 HydrophobicContact CZ-CD1 3.55Å; F597-Y651 HydrophobicContact CE1-CD2 4.48Å; F597-L653 HydrophobicContact CE2-CD1 3.63Å; F597-L653 HydrophobicContact CE2-CD2 3.77Å; F597-L653 HydrophobicContact CE2-CG 4.35Å; F597-L653 HydrophobicContact CZ-CD1 3.68Å; F597-L653 HydrophobicContact CZ-CD2 4.25Å; F597-V672 HydrophobicContact CD1-CB 4.42Å; F597-V672 HydrophobicContact CD1-CG1 3.59Å; F597-V672 HydrophobicContact CD2-CG1 4.31Å; F597-V672 HydrophobicContact CE1-CB 3.94Å; F597-V672 HydrophobicContact CE1-CG1 3.59Å; F597-V672 HydrophobicContact CE2-CB 4.41Å; F597-V672 HydrophobicContact CE2-CG1 4.33Å; F597-V672 HydrophobicContact CE2-CG2 4.3Å; F597-V672 HydrophobicContact CG-CG1 3.97Å; F597-V672 HydrophobicContact CZ-CB 3.96Å; F597-V672 HydrophobicContact CZ-CG1 4Å; F597-V672 HydrophobicContact CZ-CG2 4.28Å; F597-T674 HydrophobicContact CD1-CG2 4.11Å; F597-T674 HydrophobicContact CE1-CG2 4.04Å
598S95.1Very high92.2Very high29 Ų2954.8 Ų54.820%0.20331%0.307CS..EExtended strand (participates in β ladder)trans-95.4139.3171.4-550000111K589 Y640 T641K589-S598 PolarHBondContact N-O 2.97Å; K589-S598 WeakPolarHBondContact O-CB 3.47Å; S598-Y640 WeakPolarHBondContact CA-O 3.29Å; S598-T641 PolarHBondContact OG-OG1 2.91Å; S598-T641 VanDerWaalsContact OG-OG1 3.05Å
599V96.6Very high91.6Very high0 Ų053.3 Ų53.30%031%0.306CS..EExtended strand (participates in β ladder)trans-120.5147.3171.4-76.40000110.9P586 I587 I588 F597 W601 L617 E639 Y640 L653 L670P586-V599 HydrophobicContact CB-CB 4.36Å; P586-V599 HydrophobicContact CB-CG1 4.44Å; I587-V599 CarbonylContact O-C 3.44Å; I587-V599 VanDerWaalsContact O-CA 3.24Å; I587-V599 WeakPolarHBondContact O-CA 3.35Å; I588-V599 HydrophobicContact CD1-CG1 4.04Å; F597-V599 HydrophobicContact CD2-CG1 4.09Å; F597-V599 HydrophobicContact CE2-CG1 4.21Å; V599-W601 HydrophobicContact CG2-CZ3 4.19Å; V599-L617 HydrophobicContact CG2-CD1 4.25Å; V599-L617 HydrophobicContact CG2-CD2 3.59Å; V599-E639 CarbonylContact O-C 3.53Å; V599-E639 VanDerWaalsContact O-CA 3.24Å; V599-E639 WeakPolarHBondContact O-CA 3.16Å; V599-E639 WeakPolarHBondContact O-CB 3.44Å; V599-Y640 PolarHBondContact N-O 2.99Å; V599-Y640 PolarHBondContact O-N 2.79Å; V599-L653 HydrophobicContact CG2-CD2 4.39Å; V599-L670 HydrophobicContact CG1-CD2 3.86Å
600K96.3Very high91.4Very high55 Ų5549.3 Ų49.324%0.23929%0.291CS..EExtended strand (participates in β ladder)trans-123.9146.6168.5175.8175.7177.4-560109.4P586 I587 D602 T638 E639P586-K600 CarbonylContact C-O 3.44Å; P586-K600 WeakPolarHBondContact CA-O 3.24Å; I587-K600 HydrophobicContact CG1-CB 4.41Å; I587-K600 WeakPolarHBondContact CG1-O 3.49Å; I587-K600 PolarHBondContact N-O 2.97Å; I587-K600 PolarHBondContact O-N 3.18Å; K600-D602 IonicContact NZ-OD1 2.75Å; K600-D602 PolarHBondContact NZ-OD1 3.44Å; K600-D602 IonicContact NZ-OD2 3.55Å; K600-D602 PolarHBondContact NZ-OD2 2.91Å; K600-T638 WeakPolarHBondContact CA-O 3.41Å; K600-E639 HydrophobicContact CB-CB 4.04Å; K600-E639 HydrophobicContact CG-CB 4.28Å
601W97Very high91.4Very high0 Ų053.6 Ų53.60%030%0.295CS..  trans-127.7-177.5164.156.296.1000109.1V599 Y615 L617 Y633 A637 T638 A655V599-W601 HydrophobicContact CG2-CZ3 4.19Å; W601-Y615 AromaticContact CD1-CD1 3.83Å; W601-Y615 HydrophobicContact CZ2-CG 4.34Å; W601-Y615 AromaticContact NE1-CD1 3.23Å; W601-Y615 AromaticContact NE1-CD2 3.98Å; W601-Y615 AromaticContact NE1-CE1 3.92Å; W601-Y615 AromaticContact NE1-CG 3.29Å; W601-Y615 VanDerWaalsContact NE1-CG 3.29Å; W601-L617 HydrophobicContact CE3-CD1 4.17Å; W601-L617 HydrophobicContact CH2-CB 4.13Å; W601-L617 HydrophobicContact CZ3-CB 4.3Å; W601-L617 HydrophobicContact CZ3-CD1 3.92Å; W601-L617 HydrophobicContact CZ3-CD2 4.16Å; W601-L617 HydrophobicContact CZ3-CG 4.36Å; W601-Y633 AromaticContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CE1 4.42Å; W601-Y633 HydrophobicContact CZ2-CD1 4.09Å; W601-Y633 HydrophobicContact CZ2-CE1 4.31Å; W601-A637 VanDerWaalsContact CZ2-O 3.29Å; W601-A637 WeakPolarHBondContact CZ2-O 3.29Å; W601-T638 PolarHBondContact N-O 2.55Å; W601-T638 WeakPolarHBondContact O-CB 3.36Å; W601-A655 HydrophobicContact CB-CB 4.16Å; W601-A655 HydrophobicContact CD2-CB 4.02Å; W601-A655 HydrophobicContact CG-CB 3.82Å
602D95.7Very high91.6Very high68 Ų6850.2 Ų50.236%0.36427%0.271SS..  trans-129156.9174.3-67.9-76.7000109.8T584 K600T584-D602 HydrophobicContact CG2-CB 3.9Å; T584-D602 PolarHBondContact N-O 3.41Å; T584-D602 WeakPolarHBondContact OG1-CB 3.17Å; T584-D602 PolarHBondContact OG1-N 3.39Å; K600-D602 IonicContact NZ-OD1 2.75Å; K600-D602 PolarHBondContact NZ-OD1 3.44Å; K600-D602 IonicContact NZ-OD2 3.55Å; K600-D602 PolarHBondContact NZ-OD2 2.91Å
603P93.9Very high91.6Very high70 Ų7052 Ų5246%0.45528%0.28SS..  trans-54.3153.4177-26.535.8000113.2Y615 T638P603-Y615 WeakPolarHBondContact CA-OH 3.47Å; P603-Y615 WeakPolarHBondContact CB-OH 3.38Å; P603-Y615 WeakPolarHBondContact CG-OH 3.1Å; P603-T638 HydrophobicContact CG-CG2 4.41Å
604P94Very high91.8Very high13 Ų1352.2 Ų52.28%0.08428%0.275CS..  trans-64141.817531.1-38.1000110.9P580 G581 P582 D606 I612P580-P604 HydrophobicContact CB-CG 4.3Å; G581-P604 WeakPolarHBondContact O-CB 3.21Å; P582-P604 WeakPolarHBondContact O-CB 3.39Å; P604-D606 WeakPolarHBondContact CB-O 3.4Å; P604-D606 PolarHBondContact O-N 3.39Å; P604-I612 HydrophobicContact CG-CD1 3.89Å; P604-I612 HydrophobicContact CG-CG1 4.17Å
605Q91.4Very high92.3Very high208 Ų20851.6 Ų51.697%0.97227%0.269SS*.SBendtrans-63.9-24.2177.7-169.7179.88.300112.5
606D89.9Confident92.7Very high61 Ų6147.9 Ų47.933%0.32625%0.252SS..  trans-121.5122.4170.7-173.1-3.9000110.1R548 G581 P604 G608R548-D606 IonicContact CZ-OD1 2.72Å; R548-D606 IonicContact CZ-OD2 2.64Å; R548-D606 VanDerWaalsContact CZ-OD2 3.25Å; R548-D606 IonicContact NH1-OD1 2.71Å; R548-D606 PolarHBondContact NH1-OD1 2.9Å; R548-D606 IonicContact NH1-OD2 3.22Å; R548-D606 PolarHBondContact NH1-OD2 2.8Å; R548-D606 IonicContact NH2-OD1 2.87Å; R548-D606 PolarHBondContact NH2-OD1 3.03Å; R548-D606 IonicContact NH2-OD2 2.67Å; R548-D606 PolarHBondContact NH2-OD2 3.45Å; G581-D606 PolarHBondContact N-O 3.48Å; P604-D606 WeakPolarHBondContact CB-O 3.4Å; P604-D606 PolarHBondContact O-N 3.39Å; D606-G608 PolarHBondContact OD1-N 2.73Å
607N88.3Confident92.9Very high69 Ų6947.7 Ų47.737%0.36925%0.25SC..  trans-94.67.1179.371.8-0.9000113.9G609 S610 I612N607-G609 PolarHBondContact O-N 2.75Å; N607-G609 WeakPolarHBondContact OD1-CA 3.38Å; N607-G609 PolarHBondContact OD1-N 2.76Å; N607-S610 VanDerWaalsContact CB-O 3.22Å; N607-S610 WeakPolarHBondContact CB-O 3.34Å; N607-S610 PolarHBondContact ND2-O 3.21Å; N607-S610 VanDerWaalsContact ND2-O 3.16Å; N607-S610 PolarHBondContact O-N 2.85Å; N607-S610 VanDerWaalsContact O-O 3.06Å; N607-S610 PolarHBondContact O-OG 3.14Å; N607-I612 HydrophobicContact CB-CD1 4.08Å
608G85.8Confident92.9Very high0 Ų049 Ų490%026%0.256CS..THydrogen-bonded Turntrans73.75-177.700000114.5R548 D578 D606R548-G608 WeakPolarHBondContact CD-O 3.48Å; D578-G608 PolarHBondContact N-O 2.92Å; D606-G608 PolarHBondContact OD1-N 2.73Å
609G84.1Confident92.8Very high28 Ų2848.2 Ų48.229%0.28925%0.249SC..THydrogen-bonded Turntrans84.823.1-171.700000113.9S549 N607S549-G609 WeakPolarHBondContact CB-O 3.29Å; S549-G609 PolarHBondContact OG-O 2.88Å; N607-G609 PolarHBondContact O-N 2.75Å; N607-G609 WeakPolarHBondContact OD1-CA 3.38Å; N607-G609 PolarHBondContact OD1-N 2.76Å
610S87.9Confident92.6Very high14 Ų1448.5 Ų48.510%0.09825%0.251CS..SBendtrans-145.4156.9178.748.70000110.6N607 S659 T660N607-S610 VanDerWaalsContact CB-O 3.22Å; N607-S610 WeakPolarHBondContact CB-O 3.34Å; N607-S610 PolarHBondContact ND2-O 3.21Å; N607-S610 VanDerWaalsContact ND2-O 3.16Å; N607-S610 PolarHBondContact O-N 2.85Å; N607-S610 VanDerWaalsContact O-O 3.06Å; N607-S610 PolarHBondContact O-OG 3.14Å; S610-S659 WeakPolarHBondContact OG-CB 3.19Å; S610-S659 PolarHBondContact OG-OG 3.45Å; S610-T660 VanDerWaalsContact CB-OG1 3.31Å; S610-T660 WeakPolarHBondContact CB-OG1 3.29Å
611E90.2Very high92.1Very high147 Ų14749.9 Ų49.969%0.68726%0.259SS*.  trans-69.6151.217565.7-174174.800112.5L613 S659E611-L613 HydrophobicContact CG-CD2 4.31Å; E611-L613 PolarHBondContact O-N 3.32Å; E611-S659 WeakPolarHBondContact O-CB 3.46Å
612I93.4Very high90.7Very high40 Ų4050.2 Ų50.221%0.20526%0.262CS..EExtended strand (participates in β ladder)trans-83.1115.1176.1-54.1-55.4000108.6P580 P604 N607 Y615 C657P580-I612 HydrophobicContact CB-CD1 3.59Å; P580-I612 HydrophobicContact CG-CD1 3.96Å; P604-I612 HydrophobicContact CG-CD1 3.89Å; P604-I612 HydrophobicContact CG-CG1 4.17Å; N607-I612 HydrophobicContact CB-CD1 4.08Å; I612-Y615 HydrophobicContact CG2-CE1 4.05Å; I612-Y615 HydrophobicContact CG2-CE2 4.07Å; I612-C657 HydrophobicContact CG2-CB 3.77Å
613L92.6Very high89.1Confident90 Ų9053.4 Ų53.447%0.47128%0.279SS..EExtended strand (participates in β ladder)trans-77-40.5-177-59.5173.2000111.8E611 I658 T660E611-L613 HydrophobicContact CG-CD2 4.31Å; E611-L613 PolarHBondContact O-N 3.32Å; L613-I658 PolarHBondContact N-O 2.79Å; L613-T660 HydrophobicContact CD1-CG2 4.11Å
614K94.3Very high87.3Confident74 Ų7452.3 Ų52.332%0.32227%0.273SS..EExtended strand (participates in β ladder)trans-160159.517265.8174.8-174.2172.40113.2L616 S634 C657 I658K614-L616 HydrophobicContact CD-CD2 4.47Å; K614-S634 PolarHBondContact NZ-OG 3.43Å; K614-C657 CarbonylContact O-C 3.5Å; K614-C657 WeakPolarHBondContact O-CA 3.39Å; K614-I658 HydrophobicContact CD-CD1 4.49Å; K614-I658 HydrophobicContact CG-CB 4.41Å; K614-I658 HydrophobicContact CG-CD1 4.14Å; K614-I658 HydrophobicContact CG-CG1 4.47Å; K614-I658 PolarHBondContact N-O 2.92Å; K614-I658 PolarHBondContact O-N 2.96Å
615Y96.8Very high85.4Confident16 Ų1661.2 Ų61.26%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-95.1152.3164.8-60.4-82.9000110.6P583 W601 P603 I612 S634 G635 A637 T638 C656 C657P583-Y615 HydrophobicContact CB-CE1 4.49Å; P583-Y615 HydrophobicContact CG-CD1 4.02Å; P583-Y615 HydrophobicContact CG-CE1 4.15Å; W601-Y615 AromaticContact CD1-CD1 3.83Å; W601-Y615 HydrophobicContact CZ2-CG 4.34Å; W601-Y615 AromaticContact NE1-CD1 3.23Å; W601-Y615 AromaticContact NE1-CD2 3.98Å; W601-Y615 AromaticContact NE1-CE1 3.92Å; W601-Y615 AromaticContact NE1-CG 3.29Å; W601-Y615 VanDerWaalsContact NE1-CG 3.29Å; P603-Y615 WeakPolarHBondContact CA-OH 3.47Å; P603-Y615 WeakPolarHBondContact CB-OH 3.38Å; P603-Y615 WeakPolarHBondContact CG-OH 3.1Å; I612-Y615 HydrophobicContact CG2-CE1 4.05Å; I612-Y615 HydrophobicContact CG2-CE2 4.07Å; Y615-S634 WeakPolarHBondContact O-CA 3.25Å; Y615-G635 PolarHBondContact N-O 3.39Å; Y615-G635 PolarHBondContact O-N 3.05Å; Y615-G635 VanDerWaalsContact O-N 3.08Å; Y615-A637 WeakPolarHBondContact CD2-O 3.39Å; Y615-T638 HydrophobicContact CD2-CG2 4.11Å; Y615-T638 HydrophobicContact CE2-CG2 3.64Å; Y615-C656 CarbonylContact C-O 3.59Å; Y615-C656 WeakPolarHBondContact CA-O 3.41Å; Y615-C657 HydrophobicContact CD1-CB 3.62Å; Y615-C657 HydrophobicContact CE1-CB 3.8Å; Y615-C657 HydrophobicContact CG-CB 4.46Å
616L96.5Very high83.7Confident15 Ų1554.6 Ų54.68%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-117128.7164.5-58.9179.7000107.4K614 V631 Y633 A655 C656 I658K614-L616 HydrophobicContact CD-CD2 4.47Å; L616-V631 HydrophobicContact CD2-CG1 4.18Å; L616-Y633 CarbonylContact C-O 3.59Å; L616-Y633 WeakPolarHBondContact CA-O 3.3Å; L616-A655 CarbonylContact O-C 3.5Å; L616-A655 WeakPolarHBondContact O-CA 3.44Å; L616-C656 HydrophobicContact CB-CB 4.37Å; L616-C656 PolarHBondContact N-O 2.76Å; L616-C656 PolarHBondContact O-N 3.16Å; L616-I658 HydrophobicContact CD1-CD1 4.23Å; L616-I658 HydrophobicContact CG-CD1 4.41Å
617L96.6Very high82.4Confident0 Ų056.2 Ų56.20%030%0.303CS..EExtended strand (participates in β ladder)trans-100.1120.5163.2-174.871.4000107.4P586 V599 W601 V631 A632 Y633 Y640 L653P586-L617 HydrophobicContact CG-CD1 4.21Å; V599-L617 HydrophobicContact CG2-CD1 4.25Å; V599-L617 HydrophobicContact CG2-CD2 3.59Å; W601-L617 HydrophobicContact CE3-CD1 4.17Å; W601-L617 HydrophobicContact CH2-CB 4.13Å; W601-L617 HydrophobicContact CZ3-CB 4.3Å; W601-L617 HydrophobicContact CZ3-CD1 3.92Å; W601-L617 HydrophobicContact CZ3-CD2 4.16Å; W601-L617 HydrophobicContact CZ3-CG 4.36Å; L617-V631 CarbonylContact O-C 3.5Å; L617-A632 HydrophobicContact CD2-CB 4.31Å; L617-A632 PolarHBondContact O-N 2.97Å; L617-Y633 PolarHBondContact N-O 3.14Å; L617-Y633 PolarHBondContact O-N 3.45Å; L617-Y640 HydrophobicContact CD2-CD1 3.84Å; L617-Y640 HydrophobicContact CD2-CG 4.45Å; L617-L653 HydrophobicContact CD1-CB 4.37Å; L617-L653 HydrophobicContact CD1-CD2 4.37Å; L617-L653 HydrophobicContact CD2-CD2 3.98Å; L617-L653 HydrophobicContact CG-CD2 4.3Å
618E94.4Very high82.1Confident31 Ų3159.6 Ų59.615%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-103.8137.1174.6-68.7178.8178.200110W629 E630 V631 L653 R654E618-W629 HydrophobicContact CB-CB 4.32Å; E618-W629 HydrophobicContact CB-CE3 3.92Å; E618-E630 CarbonylContact C-O 3.54Å; E618-E630 VanDerWaalsContact CA-O 3.24Å; E618-E630 WeakPolarHBondContact CA-O 3.44Å; E618-V631 HydrophobicContact CG-CG2 4.31Å; E618-L653 CarbonylContact O-C 3.55Å; E618-L653 VanDerWaalsContact O-CA 3.26Å; E618-L653 WeakPolarHBondContact O-CA 3.27Å; E618-R654 HydrophobicContact CB-CG 3.96Å; E618-R654 PolarHBondContact N-O 2.99Å; E618-R654 PolarHBondContact O-N 2.88Å; E618-R654 IonicContact OE2-CZ 2.7Å; E618-R654 IonicContact OE2-NE 3.17Å; E618-R654 PolarHBondContact OE2-NE 2.87Å; E618-R654 IonicContact OE2-NH2 3.76Å; E618-R654 PolarHBondContact OE2-NH2 2.93Å
619I94Very high82.3Confident13 Ų1362.1 Ų62.17%0.06733%0.326CS..EExtended strand (participates in β ladder)trans-121.7149.5178.3-167.2164000110.1W629 E630 A632 L645 Y651 K652 L653I619-W629 WeakPolarHBondContact O-CA 3.45Å; I619-E630 HydrophobicContact CG2-CB 4.27Å; I619-E630 PolarHBondContact N-O 3.5Å; I619-E630 PolarHBondContact O-N 3.48Å; I619-A632 HydrophobicContact CB-CB 4.16Å; I619-A632 HydrophobicContact CG2-CB 3.83Å; I619-L645 HydrophobicContact CD1-CD1 4.5Å; I619-L645 HydrophobicContact CD1-CD2 3.95Å; I619-Y651 HydrophobicContact CD1-CD1 3.65Å; I619-Y651 HydrophobicContact CD1-CE1 4.24Å; I619-Y651 HydrophobicContact CD1-CG 4.1Å; I619-Y651 HydrophobicContact CG1-CD1 3.75Å; I619-Y651 HydrophobicContact CG1-CG 4.38Å; I619-K652 CarbonylContact C-O 3.36Å; I619-K652 WeakPolarHBondContact CA-O 3.38Å; I619-L653 HydrophobicContact CB-CD2 4.41Å; I619-L653 HydrophobicContact CB-CG 4.5Å; I619-L653 HydrophobicContact CD1-CD2 4.03Å; I619-L653 HydrophobicContact CD1-CG 4.34Å; I619-L653 HydrophobicContact CG1-CD2 4.2Å; I619-L653 HydrophobicContact CG1-CG 4.09Å
620S91.1Very high82.6Confident6 Ų667 Ų674%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-143.8141.2176.6-178.60000109.7G622 Q628 Y651 K652S620-G622 PolarHBondContact O-N 2.61Å; S620-Q628 WeakPolarHBondContact CB-O 3.36Å; S620-Q628 PolarHBondContact OG-O 2.81Å; S620-Y651 CarbonylContact O-C 3.53Å; S620-Y651 VanDerWaalsContact O-CA 3.31Å; S620-Y651 WeakPolarHBondContact O-CA 3.25Å; S620-K652 PolarHBondContact N-O 2.77Å; S620-K652 PolarHBondContact O-N 2.71Å
621Q86.7Confident82.9Confident85 Ų8570.3 Ų70.340%0.39736%0.361SS..EExtended strand (participates in β ladder)trans-73.9113.6169.5-77.6169.280.500107.9N623 S624 Y651Q621-N623 PolarHBondContact O-N 2.86Å; Q621-S624 PolarHBondContact O-N 3.33Å; Q621-S624 VanDerWaalsContact O-N 3.08Å; Q621-S624 PolarHBondContact O-OG 2.88Å; Q621-Y651 HydrophobicContact CG-CD1 4.04Å; Q621-Y651 HydrophobicContact CG-CE1 3.53Å
622G67.6Low83Confident7 Ų764.5 Ų64.57%0.07234%0.338CS..THydrogen-bonded Turntrans-62.5-12.4-158.200000116.2S620 L650 K652S620-G622 PolarHBondContact O-N 2.61Å; G622-L650 PolarHBondContact N-O 2.66Å; G622-K652 WeakPolarHBondContact O-CE 3.37Å; G622-K652 PolarHBondContact O-NZ 2.98Å
623N62.1Low83.1Confident135 Ų13564.9 Ų64.972%0.72234%0.338SS*.THydrogen-bonded Turntrans-94-5.3-177.6-60.18.9000113.3Q621 E625Q621-N623 PolarHBondContact O-N 2.86Å; N623-E625 PolarHBondContact O-N 2.82Å
624S56.7Low83.2Confident47 Ų4763.5 Ų63.533%0.32934%0.335SS..  trans-75115.7-179.469.90000112Q621 A626 N627Q621-S624 PolarHBondContact O-N 3.33Å; Q621-S624 VanDerWaalsContact O-N 3.08Å; Q621-S624 PolarHBondContact O-OG 2.88Å; S624-A626 PolarHBondContact O-N 2.83Å; S624-N627 PolarHBondContact O-N 3.3Å; S624-N627 VanDerWaalsContact O-N 3.07Å
625E53Low83.2Confident199 Ų19960.7 Ų60.793%0.9333%0.328SS*.THydrogen-bonded Turntrans-59.4-34.2171.7-60.9-170.5144.500112.1N623 N627N623-E625 PolarHBondContact O-N 2.82Å; E625-N627 PolarHBondContact O-N 3.39Å
626A56.1Low83Confident69 Ų6964.8 Ų64.857%0.5736%0.358SS*.THydrogen-bonded Turntrans-63.5-8175.900000114.5S624 Q628S624-A626 PolarHBondContact O-N 2.83Å; A626-Q628 HydrophobicContact CB-CG 3.99Å; A626-Q628 PolarHBondContact O-N 2.84Å; A626-Q628 VanDerWaalsContact O-N 3.11Å
627N63.2Low82.8Confident96 Ų9666 Ų6651%0.51337%0.37SS..  trans49.841.9172.9-162.310.4000112.8S624 E625 W629S624-N627 PolarHBondContact O-N 3.3Å; S624-N627 VanDerWaalsContact O-N 3.07Å; E625-N627 PolarHBondContact O-N 3.39Å; N627-W629 PolarHBondContact O-NE1 3.48Å; N627-W629 PolarHBondContact OD1-NE1 3.43Å
628Q80.8Confident82.7Confident140 Ų14067.7 Ų67.765%0.65438%0.381SS*.  trans-80.1137.5-177.1-67.5179.9-3.600110.4S620 A626S620-Q628 WeakPolarHBondContact CB-O 3.36Å; S620-Q628 PolarHBondContact OG-O 2.81Å; A626-Q628 HydrophobicContact CB-CG 3.99Å; A626-Q628 PolarHBondContact O-N 2.84Å; A626-Q628 VanDerWaalsContact O-N 3.11Å
629W89.6Confident82.8Confident53 Ų5370.2 Ų70.220%0.20139%0.393CS..  trans-123.4128.7-177.2-66.982.8000110.1E618 I619 N627 K652 R654E618-W629 HydrophobicContact CB-CB 4.32Å; E618-W629 HydrophobicContact CB-CE3 3.92Å; I619-W629 WeakPolarHBondContact O-CA 3.45Å; N627-W629 PolarHBondContact O-NE1 3.48Å; N627-W629 PolarHBondContact OD1-NE1 3.43Å; W629-K652 HydrophobicContact CH2-CB 3.76Å; W629-K652 HydrophobicContact CZ3-CB 4.26Å; W629-K652 WeakPolarHBondContact CZ3-O 3.09Å; W629-R654 VanDerWaalsContact CE2-NH1 3.33Å; W629-R654 HydrophobicContact CE3-CG 3.85Å; W629-R654 HydrophobicContact CH2-CB 4.46Å; W629-R654 HydrophobicContact CH2-CG 4.15Å; W629-R654 HydrophobicContact CZ3-CB 4.18Å; W629-R654 HydrophobicContact CZ3-CG 3.63Å
630E91.3Very high82.8Confident130 Ų13073.2 Ų73.261%0.60740%0.404SS*.EExtended strand (participates in β ladder)trans-108.6144.5178.9-64.2177.5164.500109.8E618 I619 A632E618-E630 CarbonylContact C-O 3.54Å; E618-E630 VanDerWaalsContact CA-O 3.24Å; E618-E630 WeakPolarHBondContact CA-O 3.44Å; I619-E630 HydrophobicContact CG2-CB 4.27Å; I619-E630 PolarHBondContact N-O 3.5Å; I619-E630 PolarHBondContact O-N 3.48Å; E630-A632 PolarHBondContact O-N 3.31Å
631V93.4Very high83.1Confident83 Ų8376.4 Ų76.450%0.50342%0.423SS..EExtended strand (participates in β ladder)trans-83.899.1-179.8-178.50000109.7L616 L617 E618 Y633L616-V631 HydrophobicContact CD2-CG1 4.18Å; L617-V631 CarbonylContact O-C 3.5Å; E618-V631 HydrophobicContact CG-CG2 4.31Å; V631-Y633 VanDerWaalsContact CG1-O 3.25Å; V631-Y633 WeakPolarHBondContact CG1-O 3.19Å
632A92.3Very high83.4Confident26 Ų2672.6 Ų72.622%0.21541%0.406CS..EExtended strand (participates in β ladder)trans-72-30.2176.500000113.2L617 I619 E630 Y640L617-A632 HydrophobicContact CD2-CB 4.31Å; L617-A632 PolarHBondContact O-N 2.97Å; I619-A632 HydrophobicContact CB-CB 4.16Å; I619-A632 HydrophobicContact CG2-CB 3.83Å; E630-A632 PolarHBondContact O-N 3.31Å; A632-Y640 HydrophobicContact CB-CE1 4.25Å; A632-Y640 VanDerWaalsContact O-CE1 3.27Å; A632-Y640 WeakPolarHBondContact O-CE1 3.37Å; A632-Y640 VanDerWaalsContact O-CZ 3.26Å; A632-Y640 PolarHBondContact O-OH 2.92Å
633Y95.6Very high84.5Confident48 Ų4875.8 Ų75.819%0.18842%0.424CS..EExtended strand (participates in β ladder)trans-146.2145.5177.9177.3-104.5000111.8W601 L616 L617 V631 G635 S636 A637 Y640W601-Y633 AromaticContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CE1 4.42Å; W601-Y633 HydrophobicContact CZ2-CD1 4.09Å; W601-Y633 HydrophobicContact CZ2-CE1 4.31Å; L616-Y633 CarbonylContact C-O 3.59Å; L616-Y633 WeakPolarHBondContact CA-O 3.3Å; L617-Y633 PolarHBondContact N-O 3.14Å; L617-Y633 PolarHBondContact O-N 3.45Å; V631-Y633 VanDerWaalsContact CG1-O 3.25Å; V631-Y633 WeakPolarHBondContact CG1-O 3.19Å; Y633-G635 VanDerWaalsContact OH-C 3.3Å; Y633-G635 WeakPolarHBondContact OH-CA 3.28Å; Y633-S636 PolarHBondContact OH-N 3.41Å; Y633-A637 HydrophobicContact CE1-CB 4.39Å; Y633-A637 VanDerWaalsContact OH-CB 3.29Å; Y633-A637 WeakPolarHBondContact OH-CB 3.47Å; Y633-A637 PolarHBondContact OH-N 2.95Å; Y633-A637 VanDerWaalsContact OH-N 3.09Å; Y633-Y640 AromaticContact CD2-CD2 3.38Å; Y633-Y640 HydrophobicContact CD2-CD2 3.38Å; Y633-Y640 AromaticContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CG 4.06Å; Y633-Y640 HydrophobicContact CE2-CD2 4.13Å; Y633-Y640 AromaticContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CE2 4.3Å; Y633-Y640 HydrophobicContact CG-CG 4Å
634S95.1Very high85.7Confident60 Ų6077.7 Ų77.742%0.4243%0.428SS..EExtended strand (participates in β ladder)trans-145100.2174.2155.50000110.1K614 Y615K614-S634 PolarHBondContact NZ-OG 3.43Å; Y615-S634 WeakPolarHBondContact O-CA 3.25Å
635G93.8Very high87.3Confident16 Ų1676.3 Ų76.317%0.16542%0.417CS..EExtended strand (participates in β ladder)trans-179.9-172.6-17900000113.5Y615 Y633Y615-G635 PolarHBondContact N-O 3.39Å; Y615-G635 PolarHBondContact O-N 3.05Å; Y615-G635 VanDerWaalsContact O-N 3.08Å; Y633-G635 VanDerWaalsContact OH-C 3.3Å; Y633-G635 WeakPolarHBondContact OH-CA 3.28Å
636S92.8Very high88.9Confident101 Ų10172.4 Ų72.471%0.70640%0.397SS*.SBendtrans-85.5-11-172.951.80000115.3Y633Y633-S636 PolarHBondContact OH-N 3.41Å
637A93.2Very high90.3Very high40 Ų4069.3 Ų69.333%0.33137%0.371SS..  trans-72.8153.7177.600000111.8W601 Y615 Y633W601-A637 VanDerWaalsContact CZ2-O 3.29Å; W601-A637 WeakPolarHBondContact CZ2-O 3.29Å; Y615-A637 WeakPolarHBondContact CD2-O 3.39Å; Y633-A637 HydrophobicContact CE1-CB 4.39Å; Y633-A637 VanDerWaalsContact OH-CB 3.29Å; Y633-A637 WeakPolarHBondContact OH-CB 3.47Å; Y633-A637 PolarHBondContact OH-N 2.95Å; Y633-A637 VanDerWaalsContact OH-N 3.09Å
638T94.6Very high91.1Very high36 Ų3665.1 Ų65.122%0.22135%0.35CS..SBendtrans-105.116.8175.568.10000113K600 W601 P603 Y615K600-T638 WeakPolarHBondContact CA-O 3.41Å; W601-T638 PolarHBondContact N-O 2.55Å; W601-T638 WeakPolarHBondContact O-CB 3.36Å; P603-T638 HydrophobicContact CG-CG2 4.41Å; Y615-T638 HydrophobicContact CD2-CG2 4.11Å; Y615-T638 HydrophobicContact CE2-CG2 3.64Å
639E95.1Very high91.4Very high84 Ų8459.7 Ų59.739%0.39333%0.327SS..EExtended strand (participates in β ladder)trans-146.1151.7173.157.9174.6-118.300110.8K589 V599 K600K589-E639 IonicContact NZ-OE1 3.81Å; K589-E639 PolarHBondContact NZ-OE1 3.26Å; K589-E639 IonicContact NZ-OE2 2.7Å; K589-E639 PolarHBondContact NZ-OE2 3.43Å; V599-E639 CarbonylContact O-C 3.53Å; V599-E639 VanDerWaalsContact O-CA 3.24Å; V599-E639 WeakPolarHBondContact O-CA 3.16Å; V599-E639 WeakPolarHBondContact O-CB 3.44Å; K600-E639 HydrophobicContact CB-CB 4.04Å; K600-E639 HydrophobicContact CG-CB 4.28Å
640Y96.1Very high91.3Very high77 Ų7760 Ų6030%0.30233%0.332SS..EExtended strand (participates in β ladder)trans-153.4147.8-177.9-174.8-112.7000111.3S598 V599 L617 A632 Y633S598-Y640 WeakPolarHBondContact CA-O 3.29Å; V599-Y640 PolarHBondContact N-O 2.99Å; V599-Y640 PolarHBondContact O-N 2.79Å; L617-Y640 HydrophobicContact CD2-CD1 3.84Å; L617-Y640 HydrophobicContact CD2-CG 4.45Å; A632-Y640 HydrophobicContact CB-CE1 4.25Å; A632-Y640 VanDerWaalsContact O-CE1 3.27Å; A632-Y640 WeakPolarHBondContact O-CE1 3.37Å; A632-Y640 VanDerWaalsContact O-CZ 3.26Å; A632-Y640 PolarHBondContact O-OH 2.92Å; Y633-Y640 AromaticContact CD2-CD2 3.38Å; Y633-Y640 HydrophobicContact CD2-CD2 3.38Å; Y633-Y640 AromaticContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CG 4.06Å; Y633-Y640 HydrophobicContact CE2-CD2 4.13Å; Y633-Y640 AromaticContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CE2 4.3Å; Y633-Y640 HydrophobicContact CG-CG 4Å
641T95.4Very high91.3Very high73 Ų7354.5 Ų54.545%0.44831%0.306SS..EExtended strand (participates in β ladder)trans-102.6110.9171.8-52.60000109S598 T643S598-T641 PolarHBondContact OG-OG1 2.91Å; S598-T641 VanDerWaalsContact OG-OG1 3.05Å; T641-T643 HydrophobicContact CG2-CG2 3.96Å; T641-T643 PolarHBondContact O-N 3.28Å
642C93.3Very high91.3Very high4 Ų453.8 Ų53.83%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-74.5125169.8-62.40000108.4G596 F597 L645G596-C642 CarbonylContact C-O 3.59Å; G596-C642 WeakPolarHBondContact CA-O 3.32Å; F597-C642 HydrophobicContact CD2-CB 4.4Å; F597-C642 HydrophobicContact CE2-CB 4.09Å; F597-C642 HydrophobicContact CZ-CB 4.45Å; F597-C642 PolarHBondContact N-O 2.84Å; F597-C642 PolarHBondContact O-N 2.86Å; C642-L645 HydrophobicContact CB-CD1 3.94Å; C642-L645 HydrophobicContact CB-CD2 4.42Å; C642-L645 HydrophobicContact CB-CG 4.35Å
643T91.4Very high91.4Very high74 Ų7452.6 Ų52.645%0.45429%0.286SS..  trans-123.9173.9177.558.50000110.6H595 T641 L645H595-T643 CarbonylContact O-C 3.55Å; H595-T643 VanDerWaalsContact O-C 3.28Å; H595-T643 WeakPolarHBondContact O-CA 3.47Å; T641-T643 HydrophobicContact CG2-CG2 3.96Å; T641-T643 PolarHBondContact O-N 3.28Å; T643-L645 PolarHBondContact O-N 2.98Å; T643-L645 VanDerWaalsContact O-N 3.14Å
644H88.1Confident91.4Very high176 Ų17653.4 Ų53.482%0.81529%0.288SS*.SBendtrans5626.2-178.4-48.3-74.3000114.2H595H595-H644 PolarHBondContact O-N 3Å
645L89.6Confident91.5Very high17 Ų1750.5 Ų50.59%0.08927%0.268CS..PPolyproline II helixtrans-73.9155.8173.1-56.1-172.4000110.6H595 F597 I619 C642 T643 Y651 T674H595-L645 WeakPolarHBondContact CA-O 3.13Å; H595-L645 PolarHBondContact ND1-O 3.11Å; H595-L645 PolarHBondContact O-N 2.91Å; F597-L645 HydrophobicContact CD1-CD1 3.84Å; F597-L645 HydrophobicContact CE1-CD1 3.22Å; F597-L645 HydrophobicContact CE2-CD1 4.43Å; F597-L645 HydrophobicContact CZ-CD1 3.55Å; I619-L645 HydrophobicContact CD1-CD1 4.5Å; I619-L645 HydrophobicContact CD1-CD2 3.95Å; C642-L645 HydrophobicContact CB-CD1 3.94Å; C642-L645 HydrophobicContact CB-CD2 4.42Å; C642-L645 HydrophobicContact CB-CG 4.35Å; T643-L645 PolarHBondContact O-N 2.98Å; T643-L645 VanDerWaalsContact O-N 3.14Å; L645-Y651 HydrophobicContact CB-CE2 3.79Å; L645-Y651 HydrophobicContact CD1-CD2 4.13Å; L645-Y651 HydrophobicContact CD1-CE2 4.09Å; L645-Y651 HydrophobicContact CD2-CE1 4.05Å; L645-Y651 HydrophobicContact CD2-CE2 4.32Å; L645-Y651 HydrophobicContact CG-CE2 4.29Å; L645-T674 HydrophobicContact CB-CG2 3.93Å; L645-T674 HydrophobicContact CD1-CG2 3.96Å
646K85.7Confident91.5Very high117 Ų11750 Ų5051%0.50926%0.262SS..PPolyproline II helixtrans-74.3138.5171.9-67-179.5178.3176.60109.5S594 T649 Y651 T674S594-K646 CarbonylContact O-C 3.51Å; K646-T649 HydrophobicContact CB-CG2 4.43Å; K646-T649 VanDerWaalsContact CB-OG1 3.32Å; K646-T649 WeakPolarHBondContact CB-OG1 3.45Å; K646-T649 WeakPolarHBondContact O-CB 3.48Å; K646-Y651 PolarHBondContact N-OH 2.62Å; K646-T674 PolarHBondContact O-OG1 2.87Å
647P85.7Confident91.6Very high5 Ų545.1 Ų45.13%0.03223%0.228CC..THydrogen-bonded Turntrans-61158.8171.1-23.234.5000113.1S594 H595 T649 L675 V677 S707S594-P647 VanDerWaalsContact O-CA 3.28Å; S594-P647 WeakPolarHBondContact O-CA 3.47Å; H595-P647 WeakPolarHBondContact CE1-CG 3.25Å; P647-T649 PolarHBondContact O-N 3.16Å; P647-T649 PolarHBondContact O-OG1 3.12Å; P647-L675 WeakPolarHBondContact CA-O 3.39Å; P647-L675 WeakPolarHBondContact CB-O 3.28Å; P647-V677 HydrophobicContact CB-CB 4.23Å; P647-V677 HydrophobicContact CB-CG2 3.81Å; P647-V677 HydrophobicContact CG-CB 4.32Å; P647-V677 HydrophobicContact CG-CG2 3.81Å; P647-S707 WeakPolarHBondContact CB-O 3.36Å
648G80.7Confident91.6Very high7 Ų744.5 Ų44.57%0.07222%0.219CC..THydrogen-bonded Turntrans57.57.917500000115.9R673 T674 L675G648-R673 PolarHBondContact O-NE 3.39Å; G648-R673 PolarHBondContact O-NH2 3.44Å; G648-R673 VanDerWaalsContact O-NH2 3.14Å; G648-T674 WeakPolarHBondContact CA-O 3.41Å; G648-T674 PolarHBondContact N-OG1 2.85Å; G648-L675 PolarHBondContact N-O 3.36Å
649T86.1Confident91.5Very high27 Ų2743 Ų4317%0.16621%0.21CC..  trans-100.1134-164.3-65.50000110.3K646 P647 Y651 R673 T674K646-T649 HydrophobicContact CB-CG2 4.43Å; K646-T649 VanDerWaalsContact CB-OG1 3.32Å; K646-T649 WeakPolarHBondContact CB-OG1 3.45Å; K646-T649 WeakPolarHBondContact O-CB 3.48Å; P647-T649 PolarHBondContact O-N 3.16Å; P647-T649 PolarHBondContact O-OG1 3.12Å; T649-Y651 HydrophobicContact CG2-CD2 4.11Å; T649-Y651 HydrophobicContact CG2-CE2 3.58Å; T649-Y651 WeakPolarHBondContact O-CD2 3.23Å; T649-R673 WeakPolarHBondContact O-CA 3.42Å; T649-T674 PolarHBondContact N-OG1 2.84Å; T649-T674 PolarHBondContact O-N 3.4Å; T649-T674 VanDerWaalsContact O-N 3.1Å; T649-T674 PolarHBondContact O-OG1 3.08Å
650L89.3Confident91.2Very high59 Ų5943.7 Ų43.731%0.30922%0.22SC..EExtended strand (participates in β ladder)trans-78.2121.6173.8-17963.5000109.9G622 P671 R673G622-L650 PolarHBondContact N-O 2.66Å; L650-P671 HydrophobicContact CD1-CB 4.14Å; L650-R673 HydrophobicContact CD1-CB 4.48Å
651Y91.3Very high90.7Very high14 Ų1441.1 Ų41.16%0.05522%0.217CC..EExtended strand (participates in β ladder)trans-110152.1170-69.8-85.3000110.6F597 I619 S620 Q621 L645 K646 T649 P671 V672 T674F597-Y651 HydrophobicContact CE1-CD2 4.48Å; I619-Y651 HydrophobicContact CD1-CD1 3.65Å; I619-Y651 HydrophobicContact CD1-CE1 4.24Å; I619-Y651 HydrophobicContact CD1-CG 4.1Å; I619-Y651 HydrophobicContact CG1-CD1 3.75Å; I619-Y651 HydrophobicContact CG1-CG 4.38Å; S620-Y651 CarbonylContact O-C 3.53Å; S620-Y651 VanDerWaalsContact O-CA 3.31Å; S620-Y651 WeakPolarHBondContact O-CA 3.25Å; Q621-Y651 HydrophobicContact CG-CD1 4.04Å; Q621-Y651 HydrophobicContact CG-CE1 3.53Å; L645-Y651 HydrophobicContact CB-CE2 3.79Å; L645-Y651 HydrophobicContact CD1-CD2 4.13Å; L645-Y651 HydrophobicContact CD1-CE2 4.09Å; L645-Y651 HydrophobicContact CD2-CE1 4.05Å; L645-Y651 HydrophobicContact CD2-CE2 4.32Å; L645-Y651 HydrophobicContact CG-CE2 4.29Å; K646-Y651 PolarHBondContact N-OH 2.62Å; T649-Y651 HydrophobicContact CG2-CD2 4.11Å; T649-Y651 HydrophobicContact CG2-CE2 3.58Å; T649-Y651 WeakPolarHBondContact O-CD2 3.23Å; Y651-P671 CarbonylContact O-C 3.55Å; Y651-P671 WeakPolarHBondContact O-CA 3.5Å; Y651-V672 PolarHBondContact N-O 3.17Å; Y651-V672 PolarHBondContact O-N 3.38Å; Y651-T674 HydrophobicContact CD2-CG2 4.32Å; Y651-T674 HydrophobicContact CE2-CG2 4.21Å
652K93.2Very high90.3Very high69 Ų6938.7 Ų38.730%0.321%0.206SC..EExtended strand (participates in β ladder)trans-118.6133.1169.1-66.9168.9179.1160.40107.7I619 S620 G622 W629 L670I619-K652 CarbonylContact C-O 3.36Å; I619-K652 WeakPolarHBondContact CA-O 3.38Å; S620-K652 PolarHBondContact N-O 2.77Å; S620-K652 PolarHBondContact O-N 2.71Å; G622-K652 WeakPolarHBondContact O-CE 3.37Å; G622-K652 PolarHBondContact O-NZ 2.98Å; W629-K652 HydrophobicContact CH2-CB 3.76Å; W629-K652 HydrophobicContact CZ3-CB 4.26Å; W629-K652 WeakPolarHBondContact CZ3-O 3.09Å; K652-L670 CarbonylContact C-O 3.56Å; K652-L670 WeakPolarHBondContact CA-O 3.5Å
653L94.6Very high90.2Very high0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-124.2145178.3-56.899.2000111.8F597 V599 L617 E618 I619 S669 L670 V672F597-L653 HydrophobicContact CE2-CD1 3.63Å; F597-L653 HydrophobicContact CE2-CD2 3.77Å; F597-L653 HydrophobicContact CE2-CG 4.35Å; F597-L653 HydrophobicContact CZ-CD1 3.68Å; F597-L653 HydrophobicContact CZ-CD2 4.25Å; V599-L653 HydrophobicContact CG2-CD2 4.39Å; L617-L653 HydrophobicContact CD1-CB 4.37Å; L617-L653 HydrophobicContact CD1-CD2 4.37Å; L617-L653 HydrophobicContact CD2-CD2 3.98Å; L617-L653 HydrophobicContact CG-CD2 4.3Å; E618-L653 CarbonylContact O-C 3.55Å; E618-L653 VanDerWaalsContact O-CA 3.26Å; E618-L653 WeakPolarHBondContact O-CA 3.27Å; I619-L653 HydrophobicContact CB-CD2 4.41Å; I619-L653 HydrophobicContact CB-CG 4.5Å; I619-L653 HydrophobicContact CD1-CD2 4.03Å; I619-L653 HydrophobicContact CD1-CG 4.34Å; I619-L653 HydrophobicContact CG1-CD2 4.2Å; I619-L653 HydrophobicContact CG1-CG 4.09Å; L653-S669 CarbonylContact O-C 3.48Å; L653-S669 VanDerWaalsContact O-CA 3.25Å; L653-S669 WeakPolarHBondContact O-CA 3.4Å; L653-L670 PolarHBondContact N-O 2.75Å; L653-L670 PolarHBondContact O-N 2.99Å; L653-V672 HydrophobicContact CD1-CB 4.21Å; L653-V672 HydrophobicContact CD1-CG2 3.54Å
654R95.2Very high90.4Very high65 Ų6540.6 Ų40.625%0.24521%0.211CC..EExtended strand (participates in β ladder)trans-141.4143.7171.466.1-170.2-170.6-163.2-1.9110.6E618 W629 C666 S667E618-R654 HydrophobicContact CB-CG 3.96Å; E618-R654 PolarHBondContact N-O 2.99Å; E618-R654 PolarHBondContact O-N 2.88Å; E618-R654 IonicContact OE2-CZ 2.7Å; E618-R654 IonicContact OE2-NE 3.17Å; E618-R654 PolarHBondContact OE2-NE 2.87Å; E618-R654 IonicContact OE2-NH2 3.76Å; E618-R654 PolarHBondContact OE2-NH2 2.93Å; W629-R654 VanDerWaalsContact CE2-NH1 3.33Å; W629-R654 HydrophobicContact CE3-CG 3.85Å; W629-R654 HydrophobicContact CH2-CB 4.46Å; W629-R654 HydrophobicContact CH2-CG 4.15Å; W629-R654 HydrophobicContact CZ3-CB 4.18Å; W629-R654 HydrophobicContact CZ3-CG 3.63Å; R654-C666 HydrophobicContact CB-CB 4.23Å; R654-C666 HydrophobicContact CG-CB 3.83Å; R654-S667 WeakPolarHBondContact CA-OG 3.45Å
655A96.3Very high90.6Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-100.9135.117600000110.1P583 P586 W601 L616 C666 S667P583-A655 HydrophobicContact CB-CB 4Å; P583-A655 WeakPolarHBondContact CD-O 3.13Å; P583-A655 HydrophobicContact CG-CB 4.28Å; P586-A655 HydrophobicContact CG-CB 3.93Å; W601-A655 HydrophobicContact CB-CB 4.16Å; W601-A655 HydrophobicContact CD2-CB 4.02Å; W601-A655 HydrophobicContact CG-CB 3.82Å; L616-A655 CarbonylContact O-C 3.5Å; L616-A655 WeakPolarHBondContact O-CA 3.44Å; A655-C666 CarbonylContact O-C 3.49Å; A655-C666 WeakPolarHBondContact O-CA 3.47Å; A655-S667 PolarHBondContact N-OG 3Å; A655-S667 PolarHBondContact O-N 2.97Å
656C94.7Very high90.8Very high4 Ų440.7 Ų40.73%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-127.4165.6174.8-23.90000108.1Y615 L616 C666Y615-C656 CarbonylContact C-O 3.59Å; Y615-C656 WeakPolarHBondContact CA-O 3.41Å; L616-C656 HydrophobicContact CB-CB 4.37Å; L616-C656 PolarHBondContact N-O 2.76Å; L616-C656 PolarHBondContact O-N 3.16Å; C656-C666 HydrophobicContact CB-CB 3.98Å; C656-C666 WeakPolarHBondContact CB-SG 3.09Å; C656-C666 WeakPolarHBondContact SG-CB 3.42Å; C656-C666 CovalentContact SG-SG 2.04Å; C656-C666 PolarHBondContact SG-SG 3.05Å
657C94.5Very high91.2Very high0 Ų035.7 Ų35.70%020%0.195CC..EExtended strand (participates in β ladder)trans-144.4165.5177.369.80000112.5P583 I612 K614 Y615 H663 S664P583-C657 HydrophobicContact CG-CB 3.9Å; I612-C657 HydrophobicContact CG2-CB 3.77Å; K614-C657 CarbonylContact O-C 3.5Å; K614-C657 WeakPolarHBondContact O-CA 3.39Å; Y615-C657 HydrophobicContact CD1-CB 3.62Å; Y615-C657 HydrophobicContact CE1-CB 3.8Å; Y615-C657 HydrophobicContact CG-CB 4.46Å; C657-H663 CarbonylContact O-C 3.47Å; C657-H663 WeakPolarHBondContact O-CA 3.33Å; C657-S664 PolarHBondContact N-OG 3.5Å; C657-S664 PolarHBondContact O-N 2.55Å; C657-S664 PolarHBondContact O-OG 2.85Å; C657-S664 PolarHBondContact SG-OG 3.41Å
658I93.1Very high91.5Very high27 Ų2742.5 Ų42.514%0.13823%0.226CC..EExtended strand (participates in β ladder)trans-131.5130.1-176.6-51.7177.9000109L613 K614 L616 G662 H663L613-I658 PolarHBondContact N-O 2.79Å; K614-I658 HydrophobicContact CD-CD1 4.49Å; K614-I658 HydrophobicContact CG-CB 4.41Å; K614-I658 HydrophobicContact CG-CD1 4.14Å; K614-I658 HydrophobicContact CG-CG1 4.47Å; K614-I658 PolarHBondContact N-O 2.92Å; K614-I658 PolarHBondContact O-N 2.96Å; L616-I658 HydrophobicContact CD1-CD1 4.23Å; L616-I658 HydrophobicContact CG-CD1 4.41Å; I658-G662 WeakPolarHBondContact CA-O 3.43Å; I658-H663 VanDerWaalsContact CD1-CE1 3.46Å; I658-H663 WeakPolarHBondContact CD1-CE1 3.47Å
659S92.4Very high92Very high3 Ų344.8 Ų44.82%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-119.2-176.4165.377.50000110.5P580 S610 E611 G661 G662P580-S659 WeakPolarHBondContact CD-OG 3.35Å; S610-S659 WeakPolarHBondContact OG-CB 3.19Å; S610-S659 PolarHBondContact OG-OG 3.45Å; E611-S659 WeakPolarHBondContact O-CB 3.46Å; S659-G661 PolarHBondContact O-N 2.66Å; S659-G661 PolarHBondContact OG-N 2.98Å; S659-G662 PolarHBondContact N-O 3.08Å; S659-G662 PolarHBondContact O-N 3.12Å
660T89.3Confident92.4Very high100 Ų10044.2 Ų44.261%0.61324%0.237SC*.THydrogen-bonded Turntrans-64.7-16.7170.551.40000113.8S610 L613 G662S610-T660 VanDerWaalsContact CB-OG1 3.31Å; S610-T660 WeakPolarHBondContact CB-OG1 3.29Å; L613-T660 HydrophobicContact CD1-CG2 4.11Å; T660-G662 VanDerWaalsContact C-N 3.32Å
661G84.2Confident92.5Very high22 Ų2244.9 Ų44.923%0.22725%0.245CC..THydrogen-bonded Turntrans-80.7-8.516900000114.4D578 R579 S659D578-G661 WeakPolarHBondContact O-CA 3.42Å; R579-G661 VanDerWaalsContact CG-O 3.32Å; R579-G661 WeakPolarHBondContact CG-O 3.48Å; S659-G661 PolarHBondContact O-N 2.66Å; S659-G661 PolarHBondContact OG-N 2.98Å
662G87.8Confident92.6Very high22 Ų2244.5 Ų44.523%0.22724%0.244CC..EExtended strand (participates in β ladder)trans116.1-162.817600000113.9P580 I658 S659 T660P580-G662 WeakPolarHBondContact CD-O 3.29Å; I658-G662 WeakPolarHBondContact CA-O 3.43Å; S659-G662 PolarHBondContact N-O 3.08Å; S659-G662 PolarHBondContact O-N 3.12Å; T660-G662 VanDerWaalsContact C-N 3.32Å
663H91.6Very high92.4Very high106 Ų10647.2 Ų47.249%0.49125%0.252SS..EExtended strand (participates in β ladder)trans-77.1139.1178-68.8-128.1000111.1R579 C657 I658R579-H663 WeakPolarHBondContact CD-O 3.5Å; C657-H663 CarbonylContact O-C 3.47Å; C657-H663 WeakPolarHBondContact O-CA 3.33Å; I658-H663 VanDerWaalsContact CD1-CE1 3.46Å; I658-H663 WeakPolarHBondContact CD1-CE1 3.47Å
664S94.9Very high92.2Very high13 Ų1347.4 Ų47.49%0.09125%0.253CS..PPolyproline II helixtrans-68.4171166.169.60000111.9P580 G581 C657P580-S664 VanDerWaalsContact O-CA 3.24Å; P580-S664 WeakPolarHBondContact O-CA 3.49Å; P580-S664 WeakPolarHBondContact O-CB 3.4Å; G581-S664 WeakPolarHBondContact O-CB 3.44Å; C657-S664 PolarHBondContact N-OG 3.5Å; C657-S664 PolarHBondContact O-N 2.55Å; C657-S664 PolarHBondContact O-OG 2.85Å; C657-S664 PolarHBondContact SG-OG 3.41Å
665Q92.9Very high91.8Very high153 Ų15349 Ų4972%0.71527%0.266SS*.PPolyproline II helixtrans-65.1152.1151.5-65.2177.8-1.200109.3P582P582-Q665 WeakPolarHBondContact CA-O 3.24Å; P582-Q665 WeakPolarHBondContact CB-O 3.44Å
666C92.9Very high91.2Very high41 Ų4150.4 Ų50.428%0.27728%0.276SS..PPolyproline II helixtrans-78.7156.4170.4-59.50000110.5R654 A655 C656R654-C666 HydrophobicContact CB-CB 4.23Å; R654-C666 HydrophobicContact CG-CB 3.83Å; A655-C666 CarbonylContact O-C 3.49Å; A655-C666 WeakPolarHBondContact O-CA 3.47Å; C656-C666 HydrophobicContact CB-CB 3.98Å; C656-C666 WeakPolarHBondContact CB-SG 3.09Å; C656-C666 WeakPolarHBondContact SG-CB 3.42Å; C656-C666 CovalentContact SG-SG 2.04Å; C656-C666 PolarHBondContact SG-SG 3.05Å
667S95.1Very high90.7Very high12 Ų1252.7 Ų52.78%0.08429%0.29CS..PPolyproline II helixtrans-60.9167.8175.573.30000112.5P583 P586 R654 A655P583-S667 WeakPolarHBondContact O-CB 3.24Å; P586-S667 VanDerWaalsContact CD-OG 3.24Å; P586-S667 WeakPolarHBondContact CD-OG 3.43Å; R654-S667 WeakPolarHBondContact CA-OG 3.45Å; A655-S667 PolarHBondContact N-OG 3Å; A655-S667 PolarHBondContact O-N 2.97Å
668E91.8Very high90.2Very high148 Ų14854 Ų5469%0.69230%0.301SS*.PPolyproline II helixtrans-51151.9156.5-69.1-172.7163.500111.1R585R585-E668 HydrophobicContact CB-CB 4.32Å; R585-E668 HydrophobicContact CG-CB 4.12Å
669S91.5Very high89.9Confident55 Ų5552.9 Ų52.939%0.38530%0.295SS..PPolyproline II helixtrans-84138.3-17959.20000112.9R585 L653 P671R585-S669 PolarHBondContact NE-O 3.46Å; R585-S669 PolarHBondContact NH2-O 2.92Å; L653-S669 CarbonylContact O-C 3.48Å; L653-S669 VanDerWaalsContact O-CA 3.25Å; L653-S669 WeakPolarHBondContact O-CA 3.4Å; S669-P671 WeakPolarHBondContact O-CD 3.43Å
670L93.5Very high89.5Confident16 Ų1654 Ų548%0.08431%0.308CS..EExtended strand (participates in β ladder)trans-94.8111.6166.8177.572.3000108.8P586 I588 V599 K652 L653 V672P586-L670 HydrophobicContact CB-CB 4.3Å; P586-L670 HydrophobicContact CB-CD2 4.14Å; P586-L670 WeakPolarHBondContact O-CD2 3.5Å; I588-L670 HydrophobicContact CD1-CD2 4.12Å; I588-L670 HydrophobicContact CG1-CD2 4.28Å; V599-L670 HydrophobicContact CG1-CD2 3.86Å; K652-L670 CarbonylContact C-O 3.56Å; K652-L670 WeakPolarHBondContact CA-O 3.5Å; L653-L670 PolarHBondContact N-O 2.75Å; L653-L670 PolarHBondContact O-N 2.99Å; L670-V672 HydrophobicContact CD2-CG2 3.52Å; L670-V672 HydrophobicContact CG-CG2 3.6Å
671P92.6Very high89.4Confident73 Ų7352.9 Ų52.947%0.47430%0.302SS..EExtended strand (participates in β ladder)trans-76.8134.916531.4-29.5000109.9R585 L650 Y651 S669R585-P671 VanDerWaalsContact NH2-CD 3.3Å; L650-P671 HydrophobicContact CD1-CB 4.14Å; Y651-P671 CarbonylContact O-C 3.55Å; Y651-P671 WeakPolarHBondContact O-CA 3.5Å; S669-P671 WeakPolarHBondContact O-CD 3.43Å
672V91.6Very high89.7Confident6 Ų652.1 Ų52.14%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-140.7126.1179-169.10000108.2I588 I592 F597 Y651 L653 L670I588-V672 HydrophobicContact CD1-CB 4.47Å; I588-V672 HydrophobicContact CD1-CG1 3.77Å; I588-V672 HydrophobicContact CD1-CG2 3.8Å; I592-V672 HydrophobicContact CD1-CG1 3.8Å; I592-V672 HydrophobicContact CG1-CG1 4.36Å; F597-V672 HydrophobicContact CD1-CB 4.42Å; F597-V672 HydrophobicContact CD1-CG1 3.59Å; F597-V672 HydrophobicContact CD2-CG1 4.31Å; F597-V672 HydrophobicContact CE1-CB 3.94Å; F597-V672 HydrophobicContact CE1-CG1 3.59Å; F597-V672 HydrophobicContact CE2-CB 4.41Å; F597-V672 HydrophobicContact CE2-CG1 4.33Å; F597-V672 HydrophobicContact CE2-CG2 4.3Å; F597-V672 HydrophobicContact CG-CG1 3.97Å; F597-V672 HydrophobicContact CZ-CB 3.96Å; F597-V672 HydrophobicContact CZ-CG1 4Å; F597-V672 HydrophobicContact CZ-CG2 4.28Å; Y651-V672 PolarHBondContact N-O 3.17Å; Y651-V672 PolarHBondContact O-N 3.38Å; L653-V672 HydrophobicContact CD1-CB 4.21Å; L653-V672 HydrophobicContact CD1-CG2 3.54Å; L670-V672 HydrophobicContact CD2-CG2 3.52Å; L670-V672 HydrophobicContact CG-CG2 3.6Å
673R90Very high89.8Confident126 Ų12659.1 Ų59.148%0.47531%0.313SS..EExtended strand (participates in β ladder)trans-98.8127.3169.7-161.5175.3-178-155.3-13.4108.2G648 T649 L650 D756G648-R673 PolarHBondContact O-NE 3.39Å; G648-R673 PolarHBondContact O-NH2 3.44Å; G648-R673 VanDerWaalsContact O-NH2 3.14Å; T649-R673 WeakPolarHBondContact O-CA 3.42Å; L650-R673 HydrophobicContact CD1-CB 4.48Å; R673-D756 IonicContact CZ-OD2 3.33Å; R673-D756 IonicContact NH1-OD2 3.38Å; R673-D756 IonicContact NH2-OD2 2.72Å; R673-D756 PolarHBondContact NH2-OD2 2.97Å
674T89.8Confident89.9Confident3 Ų357 Ų572%0.01831%0.308CS..PPolyproline II helixtrans-65.1156.8168.542.30000110.3S594 F597 L645 K646 G648 T649 Y651S594-T674 VanDerWaalsContact O-CB 3.3Å; S594-T674 WeakPolarHBondContact O-CB 3.39Å; S594-T674 WeakPolarHBondContact O-CG2 3.37Å; F597-T674 HydrophobicContact CD1-CG2 4.11Å; F597-T674 HydrophobicContact CE1-CG2 4.04Å; L645-T674 HydrophobicContact CB-CG2 3.93Å; L645-T674 HydrophobicContact CD1-CG2 3.96Å; K646-T674 PolarHBondContact O-OG1 2.87Å; G648-T674 WeakPolarHBondContact CA-O 3.41Å; G648-T674 PolarHBondContact N-OG1 2.85Å; T649-T674 PolarHBondContact N-OG1 2.84Å; T649-T674 PolarHBondContact O-N 3.4Å; T649-T674 VanDerWaalsContact O-N 3.1Å; T649-T674 PolarHBondContact O-OG1 3.08Å; Y651-T674 HydrophobicContact CD2-CG2 4.32Å; Y651-T674 HydrophobicContact CE2-CG2 4.21Å
675L86.5Confident89.9Confident98 Ų9856.4 Ų56.451%0.51330%0.304SS..PPolyproline II helixtrans-66144.1174.1-61-176000110.5I592 T593 S594 P647 G648I592-L675 HydrophobicContact CG2-CG 4.41Å; I592-L675 WeakPolarHBondContact O-CD1 3.29Å; T593-L675 PolarHBondContact O-N 2.88Å; S594-L675 WeakPolarHBondContact CA-O 3.41Å; P647-L675 WeakPolarHBondContact CA-O 3.39Å; P647-L675 WeakPolarHBondContact CB-O 3.28Å; G648-L675 PolarHBondContact N-O 3.36Å
676S84.2Confident89.9Confident31 Ų3154 Ų5422%0.21729%0.289CS..PPolyproline II helixtrans-70.3151.4170.1-52.80000110.2C709 D756S676-C709 PolarHBondContact OG-SG 2.88Å; S676-C709 VanDerWaalsContact OG-SG 3.4Å; S676-D756 VanDerWaalsContact OG-CB 3.23Å; S676-D756 WeakPolarHBondContact OG-CB 3.3Å
677V84.3Confident90Very high51 Ų5155 Ų5531%0.30929%0.29SS..  trans-116135.8173177.60000107.4P647 S707 N755P647-V677 HydrophobicContact CB-CB 4.23Å; P647-V677 HydrophobicContact CB-CG2 3.81Å; P647-V677 HydrophobicContact CG-CB 4.32Å; P647-V677 HydrophobicContact CG-CG2 3.81Å; V677-S707 WeakPolarHBondContact O-CB 3.4Å; V677-N755 PolarHBondContact O-ND2 2.99Å; V677-N755 PolarHBondContact O-OD1 2.82Å
678A84.4Confident89.8Confident28 Ų2857.3 Ų57.323%0.23130%0.302CS..PPolyproline II helixtrans-53.9150.8172.800000110.6Y759A678-Y759 WeakPolarHBondContact CB-O 3.28Å
679P86.2Confident89.6Confident3 Ų353.3 Ų53.32%0.01930%0.3CS..PPolyproline II helixtrans-60.1155.2-179.9-23.135.6000112.5P703 V711 A753 N755 G758 G760 P761P679-P703 HydrophobicContact CB-CB 4.45Å; P679-P703 HydrophobicContact CB-CG 3.72Å; P679-V711 HydrophobicContact CB-CG2 4.22Å; P679-V711 HydrophobicContact CG-CG2 3.94Å; P679-A753 HydrophobicContact CB-CB 3.76Å; P679-A753 HydrophobicContact CG-CB 3.79Å; P679-N755 HydrophobicContact CG-CB 4.14Å; P679-G758 WeakPolarHBondContact CD-O 3.4Å; P679-G760 WeakPolarHBondContact O-CA 3.37Å; P679-P761 WeakPolarHBondContact O-CD 3.45Å
680G84.4Confident89.3Confident28 Ų2856.4 Ų56.429%0.28932%0.316SS..PPolyproline II helixtrans-63.8169164.400000111.5C682 P703G680-C682 PolarHBondContact O-N 2.84Å; G680-P703 VanDerWaalsContact O-CB 3.31Å; G680-P703 WeakPolarHBondContact O-CB 3.49Å
681P87.5Confident89Confident75 Ų7557.6 Ų57.649%0.48733%0.325SS..PPolyproline II helixtrans-57.4136.7173.424.6-32.4000110.2P761P681-P761 HydrophobicContact CB-CG 3.97Å; P681-P761 HydrophobicContact CG-CG 4.34Å
682C90.6Very high88.8Confident6 Ų659 Ų594%0.04132%0.324CS..PPolyproline II helixtrans-63.4159.2166.4-62.80000110G680 V751 S763G680-C682 PolarHBondContact O-N 2.84Å; C682-V751 HydrophobicContact CB-CG1 3.7Å; C682-S763 WeakPolarHBondContact O-CB 3.35Å
683R90.5Very high88.6Confident169 Ų16962.1 Ų62.164%0.63834%0.338SS*.PPolyproline II helixtrans-64.7149161.5-74.3173.6170.9175.7-3.6109.4D701R683-D701 WeakPolarHBondContact CD-OD2 3.36Å; R683-D701 IonicContact CZ-OD2 2.75Å; R683-D701 IonicContact NE-OD2 2.7Å; R683-D701 IonicContact NH1-OD2 3.17Å; R683-D701 PolarHBondContact NH1-OD2 3.4Å
684P92.4Very high88.6Confident62 Ų6261.9 Ų61.940%0.40334%0.341SS..PPolyproline II helixtrans-53.3139.4174.2-26.736.7000111.1R686 E764 T766P684-R686 PolarHBondContact O-N 2.96Å; P684-E764 WeakPolarHBondContact CB-O 3.48Å; P684-E764 HydrophobicContact CG-CB 4.01Å; P684-T766 VanDerWaalsContact CB-OG1 3.25Å; P684-T766 WeakPolarHBondContact CB-OG1 3.37Å
685P94.6Very high88.7Confident0 Ų064.4 Ų64.40%035%0.352CS..PPolyproline II helixtrans-64.1130.2-177.526.7-33.1000109.9W700 F749 V751 T766P685-W700 HydrophobicContact CB-CE3 4.49Å; P685-F749 HydrophobicContact CG-CB 3.83Å; P685-F749 WeakPolarHBondContact CG-O 3.38Å; P685-V751 HydrophobicContact CB-CG1 4.45Å; P685-T766 WeakPolarHBondContact CD-OG1 2.94Å; P685-T766 VanDerWaalsContact O-CB 3.29Å; P685-T766 WeakPolarHBondContact O-CB 3.24Å; P685-T766 WeakPolarHBondContact O-CG2 3.42Å; P685-T766 PolarHBondContact O-OG1 2.87Å
686R94.1Very high89.1Confident104 Ų10459.8 Ų59.839%0.39233%0.328SS..EExtended strand (participates in β ladder)trans-89.3150.8173.553.2169.3172.8-87.9-2.5109.9P684 L698 Q699 D701P684-R686 PolarHBondContact O-N 2.96Å; R686-L698 WeakPolarHBondContact O-CA 3.13Å; R686-Q699 HydrophobicContact CG-CB 4.29Å; R686-Q699 WeakPolarHBondContact CG-O 3.44Å; R686-Q699 PolarHBondContact N-O 2.95Å; R686-Q699 PolarHBondContact O-N 2.91Å; R686-D701 IonicContact CZ-OD1 2.68Å; R686-D701 VanDerWaalsContact CZ-OD1 3.23Å; R686-D701 VanDerWaalsContact NH1-CG 3.27Å; R686-D701 IonicContact NH1-OD1 2.8Å; R686-D701 PolarHBondContact NH1-OD1 2.9Å; R686-D701 IonicContact NH1-OD2 3.19Å; R686-D701 PolarHBondContact NH1-OD2 3.36Å; R686-D701 IonicContact NH2-OD1 2.88Å; R686-D701 PolarHBondContact NH2-OD1 2.69Å
687I94.7Very high89.6Confident60 Ų6061.6 Ų61.631%0.30833%0.333SS..EExtended strand (participates in β ladder)trans-73.9141.6168.6-167.4161.6000110.7P691 V696 Q697 I768I687-P691 HydrophobicContact CD1-CB 3.61Å; I687-P691 HydrophobicContact CD1-CG 4.03Å; I687-V696 HydrophobicContact CD1-CG1 4.01Å; I687-V696 HydrophobicContact CG1-CG1 4.18Å; I687-Q697 WeakPolarHBondContact CA-O 3.38Å; I687-I768 HydrophobicContact CB-CD1 4.23Å; I687-I768 HydrophobicContact CD1-CG2 3.96Å
688L91.3Very high90.1Very high62 Ų6259.2 Ų59.233%0.32532%0.318SS..  trans-106.3115174.6-171.1133.3000109.3Q697 Q699L688-Q697 HydrophobicContact CB-CB 4.09Å; L688-Q697 HydrophobicContact CD2-CB 4.42Å; L688-Q697 PolarHBondContact N-O 2.65Å; L688-Q699 HydrophobicContact CD1-CB 4.13Å; L688-Q699 VanDerWaalsContact CD1-NE2 3.28Å
689G86.6Confident90.7Very high63 Ų6360 Ų6065%0.64932%0.318SS*.SBendtrans73.8-155.8-170.500000113.2
690T85.2Confident91.1Very high120 Ų12060 Ų6074%0.73632%0.317SS*.SBendtrans-90.7144173.850.50000110.9
691P88.1Confident91.4Very high42 Ų4260.6 Ų60.627%0.27331%0.314SS..  trans-61.2144.7173.726.8-31000110I687 V696 A771I687-P691 HydrophobicContact CD1-CB 3.61Å; I687-P691 HydrophobicContact CD1-CG 4.03Å; P691-V696 HydrophobicContact CB-CG2 4.32Å; P691-A771 WeakPolarHBondContact O-CB 3.32Å
692K88.4Confident91.5Very high101 Ų10159.7 Ų59.744%0.43931%0.312SS..  trans-100.5175.3169.4-54.4-173.5-1601610109E695 T770 A771K692-E695 HydrophobicContact CB-CG 3.89Å; K692-E695 WeakPolarHBondContact CB-O 3.45Å; K692-E695 HydrophobicContact CD-CG 3.85Å; K692-E695 WeakPolarHBondContact CD-OE1 3.29Å; K692-E695 WeakPolarHBondContact CE-OE1 3.2Å; K692-E695 HydrophobicContact CG-CG 4.23Å; K692-E695 PolarHBondContact N-O 3.05Å; K692-E695 IonicContact NZ-OE1 2.76Å; K692-E695 PolarHBondContact NZ-OE1 2.74Å; K692-T770 WeakPolarHBondContact O-CB 3.46Å; K692-A771 PolarHBondContact O-N 2.72Å
693H86.5Confident91.3Very high72 Ų7260 Ų6033%0.33331%0.314SS..SBendtrans-80.8-15-174.867.7-91.6000114.3P743 A771H693-P743 HydrophobicContact CB-CB 4.23Å; H693-P743 HydrophobicContact CB-CG 4.38Å; H693-P743 VanDerWaalsContact O-CA 3.23Å; H693-P743 WeakPolarHBondContact O-CA 3.35Å; H693-P743 WeakPolarHBondContact O-CG 3.12Å; H693-A771 VanDerWaalsContact CA-O 3.28Å; H693-A771 WeakPolarHBondContact CA-O 3.46Å; H693-A771 WeakPolarHBondContact CB-O 3.39Å
694K89.3Confident90.4Very high122 Ų12256.3 Ų56.353%0.5331%0.312SS..SBendtrans-131.2-0.6178.3-84.5169.7-176.91780114.4S739 N740 L741K694-S739 CarbonylContact O-C 3.57Å; K694-S739 WeakPolarHBondContact O-CA 3.41Å; K694-N740 PolarHBondContact O-N 3.06Å; K694-L741 WeakPolarHBondContact CA-O 3.47Å; K694-L741 PolarHBondContact O-N 3.04Å
695E92.8Very high88.8Confident55 Ų5559 Ų5926%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-152.1151.1179.562.7177.7-145.500112.6K692 T737 V738K692-E695 HydrophobicContact CB-CG 3.89Å; K692-E695 WeakPolarHBondContact CB-O 3.45Å; K692-E695 HydrophobicContact CD-CG 3.85Å; K692-E695 WeakPolarHBondContact CD-OE1 3.29Å; K692-E695 WeakPolarHBondContact CE-OE1 3.2Å; K692-E695 HydrophobicContact CG-CG 4.23Å; K692-E695 PolarHBondContact N-O 3.05Å; K692-E695 IonicContact NZ-OE1 2.76Å; K692-E695 PolarHBondContact NZ-OE1 2.74Å; E695-T737 HydrophobicContact CB-CG2 4.06Å; E695-T737 HydrophobicContact CG-CG2 4.48Å; E695-V738 CarbonylContact C-O 3.57Å; E695-V738 WeakPolarHBondContact CA-O 3.32Å; E695-V738 WeakPolarHBondContact CB-O 3.36Å
696V94.6Very high86.9Confident1 Ų167 Ų671%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-129.6131.4174169.70000108.1I687 P691 L698 V738 L741 I768 T770I687-V696 HydrophobicContact CD1-CG1 4.01Å; I687-V696 HydrophobicContact CG1-CG1 4.18Å; P691-V696 HydrophobicContact CB-CG2 4.32Å; V696-L698 HydrophobicContact CG1-CD2 3.6Å; V696-L698 HydrophobicContact CG1-CG 4.13Å; V696-V738 PolarHBondContact N-O 2.87Å; V696-V738 PolarHBondContact O-N 3.03Å; V696-L741 HydrophobicContact CB-CD1 3.94Å; V696-L741 HydrophobicContact CG2-CD1 3.69Å; V696-I768 HydrophobicContact CG1-CD1 4.06Å; V696-I768 HydrophobicContact CG1-CG2 4.07Å; V696-I768 HydrophobicContact CG2-CG2 3.98Å; V696-T770 HydrophobicContact CG2-CG2 4.11Å
697Q94.7Very high85.3Confident69 Ų6962.6 Ų62.632%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-93.2123170.9-54.7-161.3-60.700108.7I687 L688 C736 T737I687-Q697 WeakPolarHBondContact CA-O 3.38Å; L688-Q697 HydrophobicContact CB-CB 4.09Å; L688-Q697 HydrophobicContact CD2-CB 4.42Å; L688-Q697 PolarHBondContact N-O 2.65Å; Q697-C736 WeakPolarHBondContact CA-O 3.46Å; Q697-T737 HydrophobicContact CG-CG2 4.14Å; Q697-T737 PolarHBondContact NE2-OG1 2.86Å
698L96.3Very high83.7Confident1 Ų161.7 Ų61.71%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-109.2142.4-179.3-59.7175.6000109.2R686 V696 W700 V716 E735 C736 V738 F749 I768R686-L698 WeakPolarHBondContact O-CA 3.13Å; V696-L698 HydrophobicContact CG1-CD2 3.6Å; V696-L698 HydrophobicContact CG1-CG 4.13Å; L698-W700 HydrophobicContact CB-CE3 4.41Å; L698-W700 HydrophobicContact CB-CZ3 4.09Å; L698-V716 HydrophobicContact CD1-CG1 4.12Å; L698-E735 CarbonylContact O-C 3.56Å; L698-E735 WeakPolarHBondContact O-CA 3.44Å; L698-E735 VanDerWaalsContact O-CB 3.25Å; L698-E735 WeakPolarHBondContact O-CB 3.42Å; L698-C736 PolarHBondContact N-O 2.62Å; L698-C736 PolarHBondContact O-N 2.94Å; L698-V738 HydrophobicContact CD1-CG2 3.78Å; L698-V738 HydrophobicContact CG-CG2 4.48Å; L698-F749 HydrophobicContact CD1-CB 4.01Å; L698-F749 HydrophobicContact CD1-CD1 3.57Å; L698-F749 HydrophobicContact CD1-CD2 4.39Å; L698-F749 HydrophobicContact CD1-CE1 4.08Å; L698-F749 HydrophobicContact CD1-CG 3.73Å; L698-F749 HydrophobicContact CD2-CB 4.43Å; L698-F749 HydrophobicContact CD2-CD2 4.14Å; L698-F749 HydrophobicContact CD2-CG 4.19Å; L698-I768 HydrophobicContact CD2-CD1 3.49Å; L698-I768 VanDerWaalsContact CD2-CD1 3.49Å
699Q95.6Very high82.8Confident46 Ų4659.1 Ų59.122%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-136145.6169.7-172.6-177.483.500109.6R686 L688 L734 E735R686-Q699 HydrophobicContact CG-CB 4.29Å; R686-Q699 WeakPolarHBondContact CG-O 3.44Å; R686-Q699 PolarHBondContact N-O 2.95Å; R686-Q699 PolarHBondContact O-N 2.91Å; L688-Q699 HydrophobicContact CD1-CB 4.13Å; L688-Q699 VanDerWaalsContact CD1-NE2 3.28Å; Q699-L734 CarbonylContact C-O 3.58Å; Q699-L734 VanDerWaalsContact CA-O 3.3Å; Q699-L734 WeakPolarHBondContact CA-O 3.47Å; Q699-L734 WeakPolarHBondContact CG-O 3.27Å; Q699-E735 HydrophobicContact CB-CB 4.15Å; Q699-E735 HydrophobicContact CG-CB 4.16Å; Q699-E735 PolarHBondContact NE2-OE2 2.77Å
700W95.2Very high82.5Confident2 Ų261.5 Ų61.51%0.00835%0.351CS..  trans-133.3161.7176.750.393.7000111.4P685 L698 Y714 V716 Y729 D733 L734 C736 V751P685-W700 HydrophobicContact CB-CE3 4.49Å; L698-W700 HydrophobicContact CB-CE3 4.41Å; L698-W700 HydrophobicContact CB-CZ3 4.09Å; W700-Y714 AromaticContact CD1-CD1 3.69Å; W700-Y714 AromaticContact CD1-CE1 3.89Å; W700-Y714 HydrophobicContact CZ2-CG 4.46Å; W700-Y714 AromaticContact NE1-CD1 3.3Å; W700-Y714 VanDerWaalsContact NE1-CD1 3.3Å; W700-Y714 AromaticContact NE1-CD2 3.65Å; W700-Y714 AromaticContact NE1-CE1 3.81Å; W700-Y714 AromaticContact NE1-CG 3.21Å; W700-V716 HydrophobicContact CE3-CG2 4.24Å; W700-V716 HydrophobicContact CH2-CG2 3.54Å; W700-V716 HydrophobicContact CZ2-CG2 3.95Å; W700-V716 HydrophobicContact CZ3-CG2 3.7Å; W700-Y729 AromaticContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CE1 4.11Å; W700-Y729 HydrophobicContact CH2-CG 4.25Å; W700-Y729 AromaticContact CZ2-CD1 3.86Å; W700-Y729 HydrophobicContact CZ2-CD1 3.86Å; W700-Y729 AromaticContact CZ2-CE1 3.85Å; W700-Y729 HydrophobicContact CZ2-CE1 3.85Å; W700-D733 VanDerWaalsContact CZ2-O 3.23Å; W700-D733 WeakPolarHBondContact CZ2-O 3.2Å; W700-L734 PolarHBondContact N-O 3.26Å; W700-C736 HydrophobicContact CH2-CB 3.95Å; W700-C736 HydrophobicContact CZ3-CB 4.29Å; W700-V751 HydrophobicContact CB-CG1 3.91Å; W700-V751 HydrophobicContact CD2-CG1 4.45Å; W700-V751 HydrophobicContact CD2-CG2 3.99Å; W700-V751 HydrophobicContact CG-CG1 4.01Å; W700-V751 HydrophobicContact CG-CG2 4.07Å
701D91.4Very high82.6Confident41 Ų4157.7 Ų57.722%0.21933%0.328CS..PPolyproline II helixtrans-93.3145.9170.9-58.1-33.8000109.1R683 R686R683-D701 WeakPolarHBondContact CD-OD2 3.36Å; R683-D701 IonicContact CZ-OD2 2.75Å; R683-D701 IonicContact NE-OD2 2.7Å; R683-D701 IonicContact NH1-OD2 3.17Å; R683-D701 PolarHBondContact NH1-OD2 3.4Å; R686-D701 IonicContact CZ-OD1 2.68Å; R686-D701 VanDerWaalsContact CZ-OD1 3.23Å; R686-D701 VanDerWaalsContact NH1-CG 3.27Å; R686-D701 IonicContact NH1-OD1 2.8Å; R686-D701 PolarHBondContact NH1-OD1 2.9Å; R686-D701 IonicContact NH1-OD2 3.19Å; R686-D701 PolarHBondContact NH1-OD2 3.36Å; R686-D701 IonicContact NH2-OD1 2.88Å; R686-D701 PolarHBondContact NH2-OD1 2.69Å
702A88.5Confident82.6Confident56 Ų5658.6 Ų58.646%0.46334%0.335SS..PPolyproline II helixtrans-57.8140.5167.400000110.5Y714 L734A702-Y714 VanDerWaalsContact CB-OH 3.28Å; A702-Y714 WeakPolarHBondContact CB-OH 3.41Å; A702-L734 HydrophobicContact CB-CD2 4.4Å
703P86.5Confident82.8Confident12 Ų1257.3 Ų57.38%0.07833%0.331CS..PPolyproline II helixtrans-63.7151.1178.627.2-35.4000111.4P679 G680 V711 A753P679-P703 HydrophobicContact CB-CB 4.45Å; P679-P703 HydrophobicContact CB-CG 3.72Å; G680-P703 VanDerWaalsContact O-CB 3.31Å; G680-P703 WeakPolarHBondContact O-CB 3.49Å; P703-V711 HydrophobicContact CG-CG2 3.83Å; P703-A753 HydrophobicContact CG-CB 3.79Å
704P72.1Confident83.2Confident91 Ų9154.6 Ų54.659%0.59132%0.318SS*.PPolyproline II helixtrans-58.4140.5-17823.4-33.2000112.2E706P704-E706 PolarHBondContact O-N 2.83Å
705S57.9Low83.5Confident118 Ų11848.8 Ų48.883%0.82529%0.292SS*.G310 helixtrans-79.233.2-159.950.40000116.2S707S705-S707 VanDerWaalsContact C-N 3.29Å; S705-S707 PolarHBondContact O-N 3.16Å
706E55.8Low83.7Confident169 Ų16946.2 Ų46.279%0.7928%0.28SS*.G310 helixtrans-72.1-21.7178.6-58.5-168.616700113.2P704 G708P704-E706 PolarHBondContact O-N 2.83Å; E706-G708 VanDerWaalsContact C-N 3.26Å; E706-G708 PolarHBondContact O-N 2.87Å
707S58.8Low83.8Confident12 Ų1247.6 Ų47.68%0.08429%0.287CS..G310 helixtrans-72.1-7.3-174560000115.6P647 V677 S705 C709P647-S707 WeakPolarHBondContact CB-O 3.36Å; V677-S707 WeakPolarHBondContact O-CB 3.4Å; S705-S707 VanDerWaalsContact C-N 3.29Å; S705-S707 PolarHBondContact O-N 3.16Å; S707-C709 PolarHBondContact O-N 2.81Å; S707-C709 PolarHBondContact OG-O 2.92Å
708G61.8Low83.9Confident40 Ų4044.9 Ų44.941%0.41227%0.274SS..SBendtrans71-29.6175.500000116.4E706E706-G708 VanDerWaalsContact C-N 3.26Å; E706-G708 PolarHBondContact O-N 2.87Å
709C72.9Confident83.9Confident8 Ų845.3 Ų45.35%0.05428%0.277CS..SBendtrans-100.7140.7169.9-77.20000111.2S676 S707 N755 D756S676-C709 PolarHBondContact OG-SG 2.88Å; S676-C709 VanDerWaalsContact OG-SG 3.4Å; S707-C709 PolarHBondContact O-N 2.81Å; S707-C709 PolarHBondContact OG-O 2.92Å; C709-N755 HydrophobicContact CB-CB 4.34Å; C709-N755 PolarHBondContact O-ND2 2.9Å; C709-D756 HydrophobicContact CB-CB 4.34Å
710P79.7Confident83.7Confident114 Ų11446.3 Ų46.374%0.7428%0.281SS*.PPolyproline II helixtrans-61.6150.8173.229.7-35.7000110.9N755P710-N755 WeakPolarHBondContact O-CB 3.43Å
711V86.7Confident83.4Confident40 Ų4049.9 Ų49.924%0.24231%0.305CS..PPolyproline II helixtrans-69.4135.6168.2175.80000108.9P679 P703 E713 Y714 A753 L754P679-V711 HydrophobicContact CB-CG2 4.22Å; P679-V711 HydrophobicContact CG-CG2 3.94Å; P703-V711 HydrophobicContact CG-CG2 3.83Å; V711-E713 WeakPolarHBondContact CG1-O 3.34Å; V711-Y714 HydrophobicContact CG1-CD1 4.38Å; V711-Y714 HydrophobicContact CG1-CD2 4.43Å; V711-Y714 HydrophobicContact CG1-CE1 3.82Å; V711-Y714 HydrophobicContact CG1-CE2 3.86Å; V711-A753 HydrophobicContact CG1-CB 3.75Å; V711-A753 HydrophobicContact CG2-CB 3.89Å; V711-L754 WeakPolarHBondContact CA-O 3.48Å; V711-L754 WeakPolarHBondContact CG1-O 3.28Å
712S88.6Confident83.3Confident60 Ų6055.7 Ų55.742%0.4233%0.331SS..  trans-95.5-43.4174.353.50000112.1L754S712-L754 PolarHBondContact N-O 2.62Å; S712-L754 PolarHBondContact OG-O 2.86Å
713E93.1Very high83.4Confident75 Ų7558.3 Ų58.335%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-146.5157.9-168.2-71.6163176.900110.7V711 G731 A753 L754V711-E713 WeakPolarHBondContact CG1-O 3.34Å; E713-G731 CarbonylContact C-O 3.56Å; E713-G731 WeakPolarHBondContact CA-O 3.31Å; E713-A753 CarbonylContact O-C 3.54Å; E713-L754 HydrophobicContact CB-CB 4.29Å; E713-L754 HydrophobicContact CB-CD2 4.34Å; E713-L754 PolarHBondContact O-N 3.23Å; E713-L754 WeakPolarHBondContact OE2-CD2 3.32Å
714Y95.3Very high83.6Confident15 Ų1561 Ų616%0.05935%0.35CS..EExtended strand (participates in β ladder)trans-123.6151174.5-60.4-86.8000110.1W700 A702 V711 H730 G731 D733 L734 V751 R752 A753W700-Y714 AromaticContact CD1-CD1 3.69Å; W700-Y714 AromaticContact CD1-CE1 3.89Å; W700-Y714 HydrophobicContact CZ2-CG 4.46Å; W700-Y714 AromaticContact NE1-CD1 3.3Å; W700-Y714 VanDerWaalsContact NE1-CD1 3.3Å; W700-Y714 AromaticContact NE1-CD2 3.65Å; W700-Y714 AromaticContact NE1-CE1 3.81Å; W700-Y714 AromaticContact NE1-CG 3.21Å; A702-Y714 VanDerWaalsContact CB-OH 3.28Å; A702-Y714 WeakPolarHBondContact CB-OH 3.41Å; V711-Y714 HydrophobicContact CG1-CD1 4.38Å; V711-Y714 HydrophobicContact CG1-CD2 4.43Å; V711-Y714 HydrophobicContact CG1-CE1 3.82Å; V711-Y714 HydrophobicContact CG1-CE2 3.86Å; Y714-H730 WeakPolarHBondContact O-CA 3.4Å; Y714-G731 PolarHBondContact N-O 3.36Å; Y714-G731 PolarHBondContact O-N 2.81Å; Y714-D733 WeakPolarHBondContact CD2-O 3.44Å; Y714-L734 HydrophobicContact CD2-CD2 4.4Å; Y714-L734 HydrophobicContact CE1-CD2 4.13Å; Y714-L734 HydrophobicContact CE2-CD2 3.62Å; Y714-L734 HydrophobicContact CE2-CG 4.42Å; Y714-L734 VanDerWaalsContact CZ-CD2 3.47Å; Y714-L734 WeakPolarHBondContact OH-CD2 3.32Å; Y714-V751 HydrophobicContact CD1-CG2 4.42Å; Y714-R752 WeakPolarHBondContact CA-O 3.3Å; Y714-A753 HydrophobicContact CD1-CB 3.87Å; Y714-A753 HydrophobicContact CE1-CB 3.78Å
715S96.3Very high84.6Confident0 Ų060.7 Ų60.70%034%0.342CS..EExtended strand (participates in β ladder)trans-133.6116.1-178.9160.40000107.5E727 Y729 V751 R752S715-E727 VanDerWaalsContact CB-OE2 3.25Å; S715-E727 WeakPolarHBondContact CB-OE2 3.46Å; S715-E727 PolarHBondContact OG-OE2 2.89Å; S715-Y729 WeakPolarHBondContact CA-O 3.25Å; S715-V751 WeakPolarHBondContact O-CA 3.13Å; S715-R752 PolarHBondContact N-O 3.14Å; S715-R752 PolarHBondContact O-N 2.95Å; S715-R752 PolarHBondContact OG-NE 3.01Å; S715-R752 PolarHBondContact OG-NH2 3.04Å; S715-R752 VanDerWaalsContact OG-NH2 3.12Å
716V96.7Very high86.3Confident0 Ų057 Ų570%032%0.316CS..EExtended strand (participates in β ladder)trans-107.6125.6-178.6-174.30000108.8L698 W700 E727 V728 Y729 R750 V751L698-V716 HydrophobicContact CD1-CG1 4.12Å; W700-V716 HydrophobicContact CE3-CG2 4.24Å; W700-V716 HydrophobicContact CH2-CG2 3.54Å; W700-V716 HydrophobicContact CZ2-CG2 3.95Å; W700-V716 HydrophobicContact CZ3-CG2 3.7Å; V716-E727 CarbonylContact O-C 3.58Å; V716-E727 WeakPolarHBondContact O-CA 3.25Å; V716-V728 HydrophobicContact CB-CG2 4.19Å; V716-V728 HydrophobicContact CG1-CG2 3.9Å; V716-V728 PolarHBondContact O-N 3.11Å; V716-Y729 HydrophobicContact CG2-CD1 4.06Å; V716-Y729 HydrophobicContact CG2-CG 4.44Å; V716-Y729 PolarHBondContact N-O 2.94Å; V716-Y729 PolarHBondContact O-N 2.84Å; V716-R750 WeakPolarHBondContact CA-O 3.21Å; V716-V751 HydrophobicContact CG2-CB 4.05Å; V716-V751 HydrophobicContact CG2-CG2 3.69Å
717E96.1Very high88.2Confident30 Ų3053.4 Ų53.414%0.1430%0.299CS..EExtended strand (participates in β ladder)trans-103.1139.6169.6-76.6176.8171.300111.1I725 S726 F749 R750 Y762E717-I725 HydrophobicContact CB-CG2 4.13Å; E717-I725 HydrophobicContact CG-CG2 4.12Å; E717-S726 WeakPolarHBondContact CA-O 3.2Å; E717-F749 WeakPolarHBondContact O-CA 3.5Å; E717-R750 HydrophobicContact CB-CG 4.06Å; E717-R750 PolarHBondContact N-O 3.5Å; E717-R750 PolarHBondContact O-N 2.87Å; E717-R750 IonicContact OE2-CZ 2.73Å; E717-R750 IonicContact OE2-NE 3.79Å; E717-R750 PolarHBondContact OE2-NE 3.07Å; E717-R750 IonicContact OE2-NH2 3.74Å; E717-R750 PolarHBondContact OE2-NH2 2.91Å; E717-Y762 HydrophobicContact CB-CE1 4.35Å; E717-Y762 HydrophobicContact CG-CE1 3.94Å; E717-Y762 WeakPolarHBondContact CG-OH 3.4Å; E717-Y762 PolarHBondContact OE1-OH 3.05Å; E717-Y762 VanDerWaalsContact OE2-CZ 3.27Å; E717-Y762 PolarHBondContact OE2-OH 2.94Å
718M95.9Very high89.9Confident12 Ų1255 Ų556%0.05931%0.309CS..EExtended strand (participates in β ladder)trans-100.6140.9164.1-179.2178.470.100109E720 I725 S726 V728 V738 L741 Y747 R748 F749M718-E720 HydrophobicContact CE-CG 3.8Å; M718-E720 WeakPolarHBondContact CE-OE1 3.36Å; M718-I725 WeakPolarHBondContact O-CA 3.26Å; M718-S726 PolarHBondContact N-O 3.4Å; M718-S726 PolarHBondContact O-N 2.68Å; M718-V728 HydrophobicContact CB-CB 4.44Å; M718-V728 HydrophobicContact CB-CG1 3.53Å; M718-V728 HydrophobicContact CB-CG2 4.02Å; M718-V728 HydrophobicContact CE-CG1 4.06Å; M718-V728 HydrophobicContact SD-CG1 4.31Å; M718-V738 HydrophobicContact SD-CG1 4.14Å; M718-L741 HydrophobicContact CE-CD2 4.46Å; M718-L741 HydrophobicContact SD-CD2 3.47Å; M718-L741 WeakPolarHBondContact SD-CD2 3.48Å; M718-Y747 HydrophobicContact CE-CD1 4.42Å; M718-Y747 HydrophobicContact CE-CE1 4.41Å; M718-Y747 HydrophobicContact CG-CD1 3.85Å; M718-Y747 HydrophobicContact CG-CG 4.47Å; M718-Y747 HydrophobicContact SD-CD1 3.51Å; M718-Y747 VanDerWaalsContact SD-CD1 3.51Å; M718-Y747 HydrophobicContact SD-CE1 3.91Å; M718-Y747 HydrophobicContact SD-CG 4.22Å; M718-R748 CarbonylContact C-O 3.56Å; M718-R748 WeakPolarHBondContact CA-O 3.42Å; M718-F749 HydrophobicContact CB-CD1 3.92Å; M718-F749 HydrophobicContact CB-CE1 3.67Å; M718-F749 HydrophobicContact CG-CD1 4.09Å; M718-F749 HydrophobicContact CG-CE1 3.49Å; M718-F749 VanDerWaalsContact CG-CE1 3.49Å; M718-F749 HydrophobicContact CG-CZ 4.03Å; M718-F749 HydrophobicContact SD-CE1 3.84Å; M718-F749 HydrophobicContact SD-CZ 4.11Å
719T96.1Very high91.6Very high10 Ų1054.9 Ų54.96%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-112.2125.4163.9-45.80000108.6E723 V724 I725 Y747 R748T719-E723 WeakPolarHBondContact CG2-OE2 3.32Å; T719-V724 CarbonylContact C-O 3.57Å; T719-V724 VanDerWaalsContact CA-O 3.32Å; T719-V724 WeakPolarHBondContact CA-O 3.32Å; T719-I725 HydrophobicContact CG2-CG1 4.03Å; T719-Y747 WeakPolarHBondContact O-CA 3.38Å; T719-R748 PolarHBondContact N-O 3.14Å; T719-R748 PolarHBondContact O-N 3.1Å
720E92.3Very high92.6Very high67 Ų6759 Ų5931%0.31331%0.314SS..  trans-82.2165.2177.5-56.7-169.5167.200111.5M718 E722 E723 V724 Y747M718-E720 HydrophobicContact CE-CG 3.8Å; M718-E720 WeakPolarHBondContact CE-OE1 3.36Å; E720-E722 PolarHBondContact O-N 2.92Å; E720-E722 VanDerWaalsContact O-N 3.11Å; E720-E723 WeakPolarHBondContact O-CA 3.45Å; E720-E723 PolarHBondContact O-N 3.22Å; E720-V724 HydrophobicContact CB-CB 4.29Å; E720-V724 HydrophobicContact CG-CB 4.45Å; E720-V724 PolarHBondContact N-O 2.63Å; E720-Y747 HydrophobicContact CB-CE1 4.32Å; E720-Y747 HydrophobicContact CG-CD1 4.33Å; E720-Y747 HydrophobicContact CG-CE1 4.07Å
721P88.4Confident93.3Very high77 Ų7753.9 Ų53.950%0.528%0.283SS..THydrogen-bonded Turntrans-57.1-25177.3-24.432.4000114.8E723 T745P721-E723 PolarHBondContact O-N 2.89Å; P721-T745 HydrophobicContact CG-CG2 3.34Å
722E89.3Confident93.6Very high164 Ų16456.1 Ų56.177%0.76630%0.298SS*.THydrogen-bonded Turntrans-83.611.4176.2-57.2-168.8172.900113E720 V724E720-E722 PolarHBondContact O-N 2.92Å; E720-E722 VanDerWaalsContact O-N 3.11Å; E722-V724 HydrophobicContact CB-CG2 4.18Å; E722-V724 PolarHBondContact O-N 2.88Å
723E90.2Very high93.9Very high110 Ų11057.5 Ų57.551%0.51430%0.3SS..  trans59.619.6-174.5-57.2-67.6165.300114.1T719 E720 P721 R748T719-E723 WeakPolarHBondContact CG2-OE2 3.32Å; E720-E723 WeakPolarHBondContact O-CA 3.45Å; E720-E723 PolarHBondContact O-N 3.22Å; P721-E723 PolarHBondContact O-N 2.89Å; E723-R748 IonicContact OE1-CZ 3.25Å; E723-R748 VanDerWaalsContact OE1-CZ 3.28Å; E723-R748 IonicContact OE1-NH1 2.73Å; E723-R748 PolarHBondContact OE1-NH1 2.87Å; E723-R748 IonicContact OE1-NH2 3.15Å; E723-R748 PolarHBondContact OE1-NH2 2.87Å; E723-R748 IonicContact OE2-CZ 2.73Å; E723-R748 IonicContact OE2-NH1 2.71Å; E723-R748 PolarHBondContact OE2-NH1 2.92Å
724V90.7Very high93.9Very high70 Ų7057.3 Ų57.342%0.42430%0.302SS..  trans-72.5132.6169.4178.90000109.2T719 E720 E722T719-V724 CarbonylContact C-O 3.57Å; T719-V724 VanDerWaalsContact CA-O 3.32Å; T719-V724 WeakPolarHBondContact CA-O 3.32Å; E720-V724 HydrophobicContact CB-CB 4.29Å; E720-V724 HydrophobicContact CG-CB 4.45Å; E720-V724 PolarHBondContact N-O 2.63Å; E722-V724 HydrophobicContact CB-CG2 4.18Å; E722-V724 PolarHBondContact O-N 2.88Å
725I94.2Very high93.9Very high84 Ų8461.6 Ų61.643%0.43132%0.322SS..EExtended strand (participates in β ladder)trans-113.8131.5-178.4-56.5175.3000110.2E717 M718 T719E717-I725 HydrophobicContact CB-CG2 4.13Å; E717-I725 HydrophobicContact CG-CG2 4.12Å; M718-I725 WeakPolarHBondContact O-CA 3.26Å; T719-I725 HydrophobicContact CG2-CG1 4.03Å
726S93Very high93.8Very high39 Ų3962.3 Ų62.327%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-137.6139.9178.161.70000112.1E717 M718 V728E717-S726 WeakPolarHBondContact CA-O 3.2Å; M718-S726 PolarHBondContact N-O 3.4Å; M718-S726 PolarHBondContact O-N 2.68Å; S726-V728 PolarHBondContact O-N 3.05Å
727E95.9Very high93.7Very high95 Ų9565.4 Ų65.444%0.44435%0.346SS..EExtended strand (participates in β ladder)trans-71.7121.7165.5-172.8171.860.300109.2S715 V716 H730S715-E727 VanDerWaalsContact CB-OE2 3.25Å; S715-E727 WeakPolarHBondContact CB-OE2 3.46Å; S715-E727 PolarHBondContact OG-OE2 2.89Å; V716-E727 CarbonylContact O-C 3.58Å; V716-E727 WeakPolarHBondContact O-CA 3.25Å; E727-H730 IonicContact OE1-ND1 2.67Å; E727-H730 PolarHBondContact OE1-ND1 2.88Å; E727-H730 IonicContact OE2-ND1 3.59Å; E727-H730 PolarHBondContact OE2-ND1 2.9Å
728V95.4Very high93.6Very high46 Ų4664.3 Ų64.328%0.27934%0.341SS..EExtended strand (participates in β ladder)trans-111.8-14.2-175.5-67.50000113.5V716 M718 S726 V738V716-V728 HydrophobicContact CB-CG2 4.19Å; V716-V728 HydrophobicContact CG1-CG2 3.9Å; V716-V728 PolarHBondContact O-N 3.11Å; M718-V728 HydrophobicContact CB-CB 4.44Å; M718-V728 HydrophobicContact CB-CG1 3.53Å; M718-V728 HydrophobicContact CB-CG2 4.02Å; M718-V728 HydrophobicContact CE-CG1 4.06Å; M718-V728 HydrophobicContact SD-CG1 4.31Å; S726-V728 PolarHBondContact O-N 3.05Å; V728-V738 HydrophobicContact CB-CG1 4.09Å; V728-V738 HydrophobicContact CB-CG2 4.12Å; V728-V738 HydrophobicContact CG1-CG1 4.09Å; V728-V738 HydrophobicContact CG2-CG1 4.38Å; V728-V738 HydrophobicContact CG2-CG2 3.75Å
729Y96.1Very high93.5Very high37 Ų3766.7 Ų66.715%0.14536%0.359CS..EExtended strand (participates in β ladder)trans-148.5141.7169.4175.2-90000110.7W700 S715 V716 G731 D733 C736W700-Y729 AromaticContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CE1 4.11Å; W700-Y729 HydrophobicContact CH2-CG 4.25Å; W700-Y729 AromaticContact CZ2-CD1 3.86Å; W700-Y729 HydrophobicContact CZ2-CD1 3.86Å; W700-Y729 AromaticContact CZ2-CE1 3.85Å; W700-Y729 HydrophobicContact CZ2-CE1 3.85Å; S715-Y729 WeakPolarHBondContact CA-O 3.25Å; V716-Y729 HydrophobicContact CG2-CD1 4.06Å; V716-Y729 HydrophobicContact CG2-CG 4.44Å; V716-Y729 PolarHBondContact N-O 2.94Å; V716-Y729 PolarHBondContact O-N 2.84Å; Y729-G731 VanDerWaalsContact OH-CA 3.26Å; Y729-G731 WeakPolarHBondContact OH-CA 3.48Å; Y729-D733 WeakPolarHBondContact OH-CB 3.4Å; Y729-D733 VanDerWaalsContact OH-CG 3.23Å; Y729-D733 PolarHBondContact OH-N 3.41Å; Y729-D733 PolarHBondContact OH-OD2 3.08Å; Y729-C736 HydrophobicContact CD1-CB 4.49Å; Y729-C736 HydrophobicContact CD2-CB 3.44Å; Y729-C736 VanDerWaalsContact CD2-CB 3.44Å; Y729-C736 HydrophobicContact CE2-CB 4.19Å; Y729-C736 HydrophobicContact CG-CB 3.63Å
730H95.3Very high93.2Very high93 Ų9373.3 Ų73.343%0.43139%0.394SS..EExtended strand (participates in β ladder)trans-146.7113.1177-170.9107.5000109Y714 E727 Y759Y714-H730 WeakPolarHBondContact O-CA 3.4Å; E727-H730 IonicContact OE1-ND1 2.67Å; E727-H730 PolarHBondContact OE1-ND1 2.88Å; E727-H730 IonicContact OE2-ND1 3.59Å; E727-H730 PolarHBondContact OE2-ND1 2.9Å; H730-Y759 PolarHBondContact CE1-OH 2.76Å
731G94.2Very high93.2Very high8 Ų870.4 Ų70.48%0.08238%0.381CS..EExtended strand (participates in β ladder)trans164.3-177.4-17600000114.7E713 Y714 Y729E713-G731 CarbonylContact C-O 3.56Å; E713-G731 WeakPolarHBondContact CA-O 3.31Å; Y714-G731 PolarHBondContact N-O 3.36Å; Y714-G731 PolarHBondContact O-N 2.81Å; Y729-G731 VanDerWaalsContact OH-CA 3.26Å; Y729-G731 WeakPolarHBondContact OH-CA 3.48Å
732P92.9Very high93.2Very high87 Ų8771.8 Ų71.857%0.56538%0.383SS*.SBendtrans-83.7-10.8-171.134.9-37.4000115
733D93.7Very high93.2Very high88 Ų8865.1 Ų65.147%0.47135%0.354SS..  trans-76.3162.1-171.5-46-65.4000112W700 Y714 Y729W700-D733 VanDerWaalsContact CZ2-O 3.23Å; W700-D733 WeakPolarHBondContact CZ2-O 3.2Å; Y714-D733 WeakPolarHBondContact CD2-O 3.44Å; Y729-D733 WeakPolarHBondContact OH-CB 3.4Å; Y729-D733 VanDerWaalsContact OH-CG 3.23Å; Y729-D733 PolarHBondContact OH-N 3.41Å; Y729-D733 PolarHBondContact OH-OD2 3.08Å
734L93.7Very high93Very high72 Ų7261.2 Ų61.238%0.37734%0.343SS..SBendtrans-98.46.1176.7-71.8174.6000113.3Q699 W700 A702 Y714Q699-L734 CarbonylContact C-O 3.58Å; Q699-L734 VanDerWaalsContact CA-O 3.3Å; Q699-L734 WeakPolarHBondContact CA-O 3.47Å; Q699-L734 WeakPolarHBondContact CG-O 3.27Å; W700-L734 PolarHBondContact N-O 3.26Å; A702-L734 HydrophobicContact CB-CD2 4.4Å; Y714-L734 HydrophobicContact CD2-CD2 4.4Å; Y714-L734 HydrophobicContact CE1-CD2 4.13Å; Y714-L734 HydrophobicContact CE2-CD2 3.62Å; Y714-L734 HydrophobicContact CE2-CG 4.42Å; Y714-L734 VanDerWaalsContact CZ-CD2 3.47Å; Y714-L734 WeakPolarHBondContact OH-CD2 3.32Å
735E94.7Very high93Very high104 Ų10459.3 Ų59.349%0.48633%0.332SS..EExtended strand (participates in β ladder)trans-149.2152.218055.3-172.5-138.300112.3L698 Q699L698-E735 CarbonylContact O-C 3.56Å; L698-E735 WeakPolarHBondContact O-CA 3.44Å; L698-E735 VanDerWaalsContact O-CB 3.25Å; L698-E735 WeakPolarHBondContact O-CB 3.42Å; Q699-E735 HydrophobicContact CB-CB 4.15Å; Q699-E735 HydrophobicContact CG-CB 4.16Å; Q699-E735 PolarHBondContact NE2-OE2 2.77Å
736C94.5Very high92.9Very high15 Ų1558.2 Ų58.210%0.10133%0.329CS..EExtended strand (participates in β ladder)trans-147.8158173.369.70000111.5Q697 L698 W700 Y729Q697-C736 WeakPolarHBondContact CA-O 3.46Å; L698-C736 PolarHBondContact N-O 2.62Å; L698-C736 PolarHBondContact O-N 2.94Å; W700-C736 HydrophobicContact CH2-CB 3.95Å; W700-C736 HydrophobicContact CZ3-CB 4.29Å; Y729-C736 HydrophobicContact CD1-CB 4.49Å; Y729-C736 HydrophobicContact CD2-CB 3.44Å; Y729-C736 VanDerWaalsContact CD2-CB 3.44Å; Y729-C736 HydrophobicContact CE2-CB 4.19Å; Y729-C736 HydrophobicContact CG-CB 3.63Å
737T95.2Very high92.9Very high65 Ų6556.8 Ų56.840%0.39932%0.318SS..EExtended strand (participates in β ladder)trans-107.1115.2167.9-58.70000108.8E695 Q697E695-T737 HydrophobicContact CB-CG2 4.06Å; E695-T737 HydrophobicContact CG-CG2 4.48Å; Q697-T737 HydrophobicContact CG-CG2 4.14Å; Q697-T737 PolarHBondContact NE2-OG1 2.86Å
738V94.8Very high92.9Very high8 Ų855.8 Ų55.85%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-89.7124.4172.1-171.50000107.6E695 V696 L698 M718 V728 L741 F749E695-V738 CarbonylContact C-O 3.57Å; E695-V738 WeakPolarHBondContact CA-O 3.32Å; E695-V738 WeakPolarHBondContact CB-O 3.36Å; V696-V738 PolarHBondContact N-O 2.87Å; V696-V738 PolarHBondContact O-N 3.03Å; L698-V738 HydrophobicContact CD1-CG2 3.78Å; L698-V738 HydrophobicContact CG-CG2 4.48Å; M718-V738 HydrophobicContact SD-CG1 4.14Å; V728-V738 HydrophobicContact CB-CG1 4.09Å; V728-V738 HydrophobicContact CB-CG2 4.12Å; V728-V738 HydrophobicContact CG1-CG1 4.09Å; V728-V738 HydrophobicContact CG2-CG1 4.38Å; V728-V738 HydrophobicContact CG2-CG2 3.75Å; V738-L741 HydrophobicContact CG1-CD2 3.93Å; V738-L741 HydrophobicContact CG1-CG 4.4Å; V738-F749 HydrophobicContact CB-CE1 4.28Å; V738-F749 HydrophobicContact CG1-CE1 4.17Å; V738-F749 HydrophobicContact CG2-CE1 3.98Å
739S92.9Very high93Very high62 Ų6253.7 Ų53.743%0.43430%0.297SS..EExtended strand (participates in β ladder)trans-122.5174.9-173.862.40000112.1K694 L741K694-S739 CarbonylContact O-C 3.57Å; K694-S739 WeakPolarHBondContact O-CA 3.41Å; S739-L741 PolarHBondContact O-N 3.26Å
740N89.9Confident93Very high149 Ų14955.5 Ų55.580%0.79730%0.304SS*.SBendtrans63.423.4-173.1-49.3-60.1000114.3K694K694-N740 PolarHBondContact O-N 3.06Å
741L91.7Very high93Very high6 Ų651 Ų513%0.03128%0.283CS..PPolyproline II helixtrans-72153174.8-57177.3000111.1K694 V696 M718 V738 S739 Y747 F749 T770K694-L741 WeakPolarHBondContact CA-O 3.47Å; K694-L741 PolarHBondContact O-N 3.04Å; V696-L741 HydrophobicContact CB-CD1 3.94Å; V696-L741 HydrophobicContact CG2-CD1 3.69Å; M718-L741 HydrophobicContact CE-CD2 4.46Å; M718-L741 HydrophobicContact SD-CD2 3.47Å; M718-L741 WeakPolarHBondContact SD-CD2 3.48Å; V738-L741 HydrophobicContact CG1-CD2 3.93Å; V738-L741 HydrophobicContact CG1-CG 4.4Å; S739-L741 PolarHBondContact O-N 3.26Å; L741-Y747 HydrophobicContact CB-CE2 3.89Å; L741-Y747 HydrophobicContact CD2-CD1 4.23Å; L741-Y747 HydrophobicContact CD2-CD2 4.2Å; L741-Y747 HydrophobicContact CD2-CE1 4Å; L741-Y747 HydrophobicContact CD2-CE2 3.97Å; L741-Y747 HydrophobicContact CD2-CG 4.32Å; L741-Y747 HydrophobicContact CG-CE2 4.38Å; L741-F749 HydrophobicContact CD1-CZ 4.39Å; L741-T770 HydrophobicContact CB-CG2 3.71Å; L741-T770 HydrophobicContact CD1-CG2 3.77Å; L741-T770 HydrophobicContact CG-CG2 4.4Å
742L89.3Confident93Very high106 Ų10653.2 Ų53.256%0.55529%0.289SS*.PPolyproline II helixtrans-76.8142.1172.7-62.2176.9000110.4T745 Y747 T770L742-T745 HydrophobicContact CB-CG2 4.22Å; L742-T745 WeakPolarHBondContact CB-OG1 3.43Å; L742-T745 WeakPolarHBondContact O-CB 3.16Å; L742-Y747 WeakPolarHBondContact CB-OH 3.23Å; L742-Y747 PolarHBondContact N-OH 2.78Å; L742-T770 WeakPolarHBondContact O-CB 3.3Å; L742-T770 PolarHBondContact O-OG1 2.64Å
743P88.9Confident93Very high23 Ų2349 Ų4915%0.14926%0.262CS..THydrogen-bonded Turntrans-63.2149.4174.8-24.834.7000114.5H693 T745 T770 S801H693-P743 HydrophobicContact CB-CB 4.23Å; H693-P743 HydrophobicContact CB-CG 4.38Å; H693-P743 VanDerWaalsContact O-CA 3.23Å; H693-P743 WeakPolarHBondContact O-CA 3.35Å; H693-P743 WeakPolarHBondContact O-CG 3.12Å; P743-T745 PolarHBondContact O-N 2.95Å; P743-T745 PolarHBondContact O-OG1 3.45Å; P743-T770 VanDerWaalsContact C-OG1 3.31Å; P743-S801 VanDerWaalsContact CB-O 3.25Å; P743-S801 WeakPolarHBondContact CB-O 3.25Å
744G86.3Confident92.9Very high28 Ų2846.1 Ų46.129%0.28925%0.246SC..THydrogen-bonded Turntrans51.620.2-179.600000116.1T769 T770 A771G744-T769 WeakPolarHBondContact O-CG2 3.24Å; G744-T770 WeakPolarHBondContact CA-O 3.23Å; G744-T770 PolarHBondContact N-OG1 2.82Å; G744-A771 PolarHBondContact N-O 3.35Å
745T90.3Very high92.6Very high31 Ų3143.1 Ų43.119%0.1923%0.23CC..  trans-107.3135.8-169-62.80000109.9P721 L742 P743 Y747 T769 T770P721-T745 HydrophobicContact CG-CG2 3.34Å; L742-T745 HydrophobicContact CB-CG2 4.22Å; L742-T745 WeakPolarHBondContact CB-OG1 3.43Å; L742-T745 WeakPolarHBondContact O-CB 3.16Å; P743-T745 PolarHBondContact O-N 2.95Å; P743-T745 PolarHBondContact O-OG1 3.45Å; T745-Y747 HydrophobicContact CG2-CD2 4.26Å; T745-Y747 HydrophobicContact CG2-CE2 3.62Å; T745-Y747 WeakPolarHBondContact O-CD2 3.41Å; T745-T769 WeakPolarHBondContact O-CA 3.49Å; T745-T770 PolarHBondContact N-OG1 3.23Å; T745-T770 PolarHBondContact O-N 2.94Å; T745-T770 PolarHBondContact O-OG1 2.85Å
746T91.9Very high92.1Very high60 Ų6043.2 Ų43.237%0.36823%0.234SC..EExtended strand (participates in β ladder)trans-90.3122.2-178.7-55.60000111.1E767 T769T746-E767 HydrophobicContact CG2-CB 4.19Å; T746-T769 PolarHBondContact OG1-OG1 3.32Å
747Y94.3Very high91.4Very high9 Ų944.1 Ų44.14%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-114152.7175-66.3-90.5000109.8M718 T719 E720 L741 L742 T745 F749 E767 I768 T770M718-Y747 HydrophobicContact CE-CD1 4.42Å; M718-Y747 HydrophobicContact CE-CE1 4.41Å; M718-Y747 HydrophobicContact CG-CD1 3.85Å; M718-Y747 HydrophobicContact CG-CG 4.47Å; M718-Y747 HydrophobicContact SD-CD1 3.51Å; M718-Y747 VanDerWaalsContact SD-CD1 3.51Å; M718-Y747 HydrophobicContact SD-CE1 3.91Å; M718-Y747 HydrophobicContact SD-CG 4.22Å; T719-Y747 WeakPolarHBondContact O-CA 3.38Å; E720-Y747 HydrophobicContact CB-CE1 4.32Å; E720-Y747 HydrophobicContact CG-CD1 4.33Å; E720-Y747 HydrophobicContact CG-CE1 4.07Å; L741-Y747 HydrophobicContact CB-CE2 3.89Å; L741-Y747 HydrophobicContact CD2-CD1 4.23Å; L741-Y747 HydrophobicContact CD2-CD2 4.2Å; L741-Y747 HydrophobicContact CD2-CE1 4Å; L741-Y747 HydrophobicContact CD2-CE2 3.97Å; L741-Y747 HydrophobicContact CD2-CG 4.32Å; L741-Y747 HydrophobicContact CG-CE2 4.38Å; L742-Y747 WeakPolarHBondContact CB-OH 3.23Å; L742-Y747 PolarHBondContact N-OH 2.78Å; T745-Y747 HydrophobicContact CG2-CD2 4.26Å; T745-Y747 HydrophobicContact CG2-CE2 3.62Å; T745-Y747 WeakPolarHBondContact O-CD2 3.41Å; Y747-F749 HydrophobicContact CG-CZ 4.36Å; Y747-E767 WeakPolarHBondContact O-CA 3.18Å; Y747-I768 PolarHBondContact N-O 2.85Å; Y747-I768 PolarHBondContact O-N 3.31Å; Y747-T770 HydrophobicContact CD2-CG2 4.34Å; Y747-T770 HydrophobicContact CE2-CG2 4.24Å
748R95.6Very high90.9Very high75 Ų7542.4 Ų42.428%0.28324%0.241SC..EExtended strand (participates in β ladder)trans-109.9128.8172.8-40.3-160.2-168.689.32.8110.7M718 T719 E723 P765 T766 E767M718-R748 CarbonylContact C-O 3.56Å; M718-R748 WeakPolarHBondContact CA-O 3.42Å; T719-R748 PolarHBondContact N-O 3.14Å; T719-R748 PolarHBondContact O-N 3.1Å; E723-R748 IonicContact OE1-CZ 3.25Å; E723-R748 VanDerWaalsContact OE1-CZ 3.28Å; E723-R748 IonicContact OE1-NH1 2.73Å; E723-R748 PolarHBondContact OE1-NH1 2.87Å; E723-R748 IonicContact OE1-NH2 3.15Å; E723-R748 PolarHBondContact OE1-NH2 2.87Å; E723-R748 IonicContact OE2-CZ 2.73Å; E723-R748 IonicContact OE2-NH1 2.71Å; E723-R748 PolarHBondContact OE2-NH1 2.92Å; R748-P765 HydrophobicContact CB-CB 4.19Å; R748-T766 WeakPolarHBondContact CA-O 3.4Å; R748-E767 VanDerWaalsContact CD-OE1 3.29Å; R748-E767 WeakPolarHBondContact CD-OE1 3.47Å; R748-E767 HydrophobicContact CG-CG 4Å; R748-E767 IonicContact CZ-OE1 3.85Å; R748-E767 IonicContact NE-OE1 3.55Å; R748-E767 PolarHBondContact NE-OE1 2.77Å
749F96.4Very high90.6Very high1 Ų146.6 Ų46.60%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-117131.7-178.6-62.3-79.1000111.2P685 L698 E717 M718 V738 L741 Y747 P765 T766 I768P685-F749 HydrophobicContact CG-CB 3.83Å; P685-F749 WeakPolarHBondContact CG-O 3.38Å; L698-F749 HydrophobicContact CD1-CB 4.01Å; L698-F749 HydrophobicContact CD1-CD1 3.57Å; L698-F749 HydrophobicContact CD1-CD2 4.39Å; L698-F749 HydrophobicContact CD1-CE1 4.08Å; L698-F749 HydrophobicContact CD1-CG 3.73Å; L698-F749 HydrophobicContact CD2-CB 4.43Å; L698-F749 HydrophobicContact CD2-CD2 4.14Å; L698-F749 HydrophobicContact CD2-CG 4.19Å; E717-F749 WeakPolarHBondContact O-CA 3.5Å; M718-F749 HydrophobicContact CB-CD1 3.92Å; M718-F749 HydrophobicContact CB-CE1 3.67Å; M718-F749 HydrophobicContact CG-CD1 4.09Å; M718-F749 HydrophobicContact CG-CE1 3.49Å; M718-F749 VanDerWaalsContact CG-CE1 3.49Å; M718-F749 HydrophobicContact CG-CZ 4.03Å; M718-F749 HydrophobicContact SD-CE1 3.84Å; M718-F749 HydrophobicContact SD-CZ 4.11Å; V738-F749 HydrophobicContact CB-CE1 4.28Å; V738-F749 HydrophobicContact CG1-CE1 4.17Å; V738-F749 HydrophobicContact CG2-CE1 3.98Å; L741-F749 HydrophobicContact CD1-CZ 4.39Å; Y747-F749 HydrophobicContact CG-CZ 4.36Å; F749-P765 CarbonylContact O-C 3.55Å; F749-P765 WeakPolarHBondContact O-CA 3.42Å; F749-T766 PolarHBondContact N-O 2.93Å; F749-T766 PolarHBondContact O-N 2.96Å; F749-I768 HydrophobicContact CD2-CB 4.18Å; F749-I768 HydrophobicContact CD2-CD1 3.91Å; F749-I768 HydrophobicContact CD2-CG1 4.22Å; F749-I768 HydrophobicContact CE2-CB 4.12Å; F749-I768 HydrophobicContact CE2-CD1 4.38Å
750R96.1Very high90.4Very high75 Ų7544 Ų4428%0.28324%0.239SC..EExtended strand (participates in β ladder)trans-135.4146175.266.2-178.5-173.1-163.6-2.2111V716 E717 Y762V716-R750 WeakPolarHBondContact CA-O 3.21Å; E717-R750 HydrophobicContact CB-CG 4.06Å; E717-R750 PolarHBondContact N-O 3.5Å; E717-R750 PolarHBondContact O-N 2.87Å; E717-R750 IonicContact OE2-CZ 2.73Å; E717-R750 IonicContact OE2-NE 3.79Å; E717-R750 PolarHBondContact OE2-NE 3.07Å; E717-R750 IonicContact OE2-NH2 3.74Å; E717-R750 PolarHBondContact OE2-NH2 2.91Å; R750-Y762 HydrophobicContact CB-CD1 4.42Å; R750-Y762 HydrophobicContact CG-CD1 3.77Å; R750-Y762 HydrophobicContact CG-CE1 4.41Å; R750-Y762 HydrophobicContact CG-CG 4.03Å
751V96.1Very high90.5Very high0 Ų040.4 Ų40.40%023%0.225CC..EExtended strand (participates in β ladder)trans-130139.6-175.763.20000111.7C682 P685 W700 Y714 S715 V716 S763C682-V751 HydrophobicContact CB-CG1 3.7Å; P685-V751 HydrophobicContact CB-CG1 4.45Å; W700-V751 HydrophobicContact CB-CG1 3.91Å; W700-V751 HydrophobicContact CD2-CG1 4.45Å; W700-V751 HydrophobicContact CD2-CG2 3.99Å; W700-V751 HydrophobicContact CG-CG1 4.01Å; W700-V751 HydrophobicContact CG-CG2 4.07Å; Y714-V751 HydrophobicContact CD1-CG2 4.42Å; S715-V751 WeakPolarHBondContact O-CA 3.13Å; V716-V751 HydrophobicContact CG2-CB 4.05Å; V716-V751 HydrophobicContact CG2-CG2 3.69Å; V751-S763 PolarHBondContact N-OG 3.19Å; V751-S763 VanDerWaalsContact N-OG 3.08Å; V751-S763 PolarHBondContact O-N 3.23Å
752R94.3Very high90.6Very high53 Ų5342.4 Ų42.420%0.223%0.232CC..EExtended strand (participates in β ladder)trans-121.8160170.965.6-178.5172.8-176.3-4.8110.5Y714 S715 Y759 Y762Y714-R752 WeakPolarHBondContact CA-O 3.3Å; S715-R752 PolarHBondContact N-O 3.14Å; S715-R752 PolarHBondContact O-N 2.95Å; S715-R752 PolarHBondContact OG-NE 3.01Å; S715-R752 PolarHBondContact OG-NH2 3.04Å; S715-R752 VanDerWaalsContact OG-NH2 3.12Å; R752-Y759 HydrophobicContact CG-CD1 4.04Å; R752-Y762 HydrophobicContact CB-CD1 3.7Å; R752-Y762 HydrophobicContact CB-CE1 4.01Å; R752-Y762 HydrophobicContact CB-CG 4.12Å; R752-Y762 VanDerWaalsContact CD-CZ 3.46Å; R752-Y762 HydrophobicContact CG-CD1 3.8Å; R752-Y762 HydrophobicContact CG-CE1 3.54Å; R752-Y762 HydrophobicContact CG-CG 4.48Å; R752-Y762 PolarHBondContact NE-OH 2.84Å; R752-Y762 VanDerWaalsContact NE-OH 3.12Å; R752-Y762 PolarHBondContact NH1-OH 3.09Å; R752-Y762 PolarHBondContact NH2-OH 3.15Å; R752-Y762 VanDerWaalsContact NH2-OH 3.16Å
753A92.7Very high90.9Very high0 Ų037.7 Ų37.70%021%0.208CC..EExtended strand (participates in β ladder)trans-111.2155.7174.600000111.7P679 P703 V711 E713 Y714 G760P679-A753 HydrophobicContact CB-CB 3.76Å; P679-A753 HydrophobicContact CG-CB 3.79Å; P703-A753 HydrophobicContact CG-CB 3.79Å; V711-A753 HydrophobicContact CG1-CB 3.75Å; V711-A753 HydrophobicContact CG2-CB 3.89Å; E713-A753 CarbonylContact O-C 3.54Å; Y714-A753 HydrophobicContact CD1-CB 3.87Å; Y714-A753 HydrophobicContact CE1-CB 3.78Å; A753-G760 PolarHBondContact O-N 2.81Å
754L91.1Very high91.1Very high27 Ų2743.6 Ų43.614%0.14123%0.234CC..EExtended strand (participates in β ladder)trans-122.9141.7178.1175.858.8000110.5V711 S712 E713 Y759V711-L754 WeakPolarHBondContact CA-O 3.48Å; V711-L754 WeakPolarHBondContact CG1-O 3.28Å; S712-L754 PolarHBondContact N-O 2.62Å; S712-L754 PolarHBondContact OG-O 2.86Å; E713-L754 HydrophobicContact CB-CB 4.29Å; E713-L754 HydrophobicContact CB-CD2 4.34Å; E713-L754 PolarHBondContact O-N 3.23Å; E713-L754 WeakPolarHBondContact OE2-CD2 3.32Å; L754-Y759 HydrophobicContact CB-CD1 3.9Å; L754-Y759 HydrophobicContact CB-CE1 3.88Å; L754-Y759 HydrophobicContact CD1-CD1 4.18Å; L754-Y759 HydrophobicContact CD1-CD2 4.22Å; L754-Y759 HydrophobicContact CD1-CE1 4.34Å; L754-Y759 HydrophobicContact CD1-CE2 4.36Å; L754-Y759 HydrophobicContact CD1-CG 4.12Å; L754-Y759 HydrophobicContact CD2-CE1 3.96Å; L754-Y759 HydrophobicContact CD2-CE2 4.4Å; L754-Y759 HydrophobicContact CG-CD1 4.44Å; L754-Y759 HydrophobicContact CG-CE1 4.29Å
755N88.7Confident91.4Very high8 Ų845.5 Ų45.54%0.04324%0.241CC..EExtended strand (participates in β ladder)trans-146.3-171.3166.772.16.9000111.4V677 P679 C709 P710 G757 G758V677-N755 PolarHBondContact O-ND2 2.99Å; V677-N755 PolarHBondContact O-OD1 2.82Å; P679-N755 HydrophobicContact CG-CB 4.14Å; C709-N755 HydrophobicContact CB-CB 4.34Å; C709-N755 PolarHBondContact O-ND2 2.9Å; P710-N755 WeakPolarHBondContact O-CB 3.43Å; N755-G757 PolarHBondContact O-N 2.85Å; N755-G757 WeakPolarHBondContact OD1-CA 3.42Å; N755-G757 PolarHBondContact OD1-N 2.85Å; N755-G758 PolarHBondContact N-O 2.78Å; N755-G758 PolarHBondContact O-N 2.85Å
756D82.8Confident91.6Very high107 Ų10745.7 Ų45.757%0.57224%0.242SC*.THydrogen-bonded Turntrans-45.7-24.6172.6-78.43.7000115R673 S676 C709R673-D756 IonicContact CZ-OD2 3.33Å; R673-D756 IonicContact NH1-OD2 3.38Å; R673-D756 IonicContact NH2-OD2 2.72Å; R673-D756 PolarHBondContact NH2-OD2 2.97Å; S676-D756 VanDerWaalsContact OG-CB 3.23Å; S676-D756 WeakPolarHBondContact OG-CB 3.3Å; C709-D756 HydrophobicContact CB-CB 4.34Å
757G79.8Confident91.7Very high34 Ų3448.8 Ų48.835%0.35125%0.252SS..THydrogen-bonded Turntrans-92.5-0.4179.600000115N755N755-G757 PolarHBondContact O-N 2.85Å; N755-G757 WeakPolarHBondContact OD1-CA 3.42Å; N755-G757 PolarHBondContact OD1-N 2.85Å
758G84.9Confident91.7Very high28 Ų2849 Ų4929%0.28925%0.254SS..EExtended strand (participates in β ladder)trans98.3-172.8-176.700000113.8P679 N755P679-G758 WeakPolarHBondContact CD-O 3.4Å; N755-G758 PolarHBondContact N-O 2.78Å; N755-G758 PolarHBondContact O-N 2.85Å
759Y88.8Confident91.5Very high96 Ų9648.7 Ų48.738%0.37626%0.26SS..EExtended strand (participates in β ladder)trans-69.7132.2178.5-74.9-74.4000111.6A678 H730 R752 L754A678-Y759 WeakPolarHBondContact CB-O 3.28Å; H730-Y759 PolarHBondContact CE1-OH 2.76Å; R752-Y759 HydrophobicContact CG-CD1 4.04Å; L754-Y759 HydrophobicContact CB-CD1 3.9Å; L754-Y759 HydrophobicContact CB-CE1 3.88Å; L754-Y759 HydrophobicContact CD1-CD1 4.18Å; L754-Y759 HydrophobicContact CD1-CD2 4.22Å; L754-Y759 HydrophobicContact CD1-CE1 4.34Å; L754-Y759 HydrophobicContact CD1-CE2 4.36Å; L754-Y759 HydrophobicContact CD1-CG 4.12Å; L754-Y759 HydrophobicContact CD2-CE1 3.96Å; L754-Y759 HydrophobicContact CD2-CE2 4.4Å; L754-Y759 HydrophobicContact CG-CD1 4.44Å; L754-Y759 HydrophobicContact CG-CE1 4.29Å
760G89.4Confident91.2Very high7 Ų748.9 Ų48.97%0.07226%0.262CS..PPolyproline II helixtrans-70.5170.6163.500000111.8P679 A753P679-G760 WeakPolarHBondContact O-CA 3.37Å; A753-G760 PolarHBondContact O-N 2.81Å
761P91.2Very high90.8Very high75 Ų7547 Ų4749%0.48726%0.262SS..PPolyproline II helixtrans-63.4154.216829.8-33.9000110.6P679 P681P679-P761 WeakPolarHBondContact O-CD 3.45Å; P681-P761 HydrophobicContact CB-CG 3.97Å; P681-P761 HydrophobicContact CG-CG 4.34Å
762Y93.5Very high90.4Very high48 Ų4848.5 Ų48.519%0.18828%0.275CS..PPolyproline II helixtrans-64.3153.3166.9-70-78.7000111E717 R750 R752E717-Y762 HydrophobicContact CB-CE1 4.35Å; E717-Y762 HydrophobicContact CG-CE1 3.94Å; E717-Y762 WeakPolarHBondContact CG-OH 3.4Å; E717-Y762 PolarHBondContact OE1-OH 3.05Å; E717-Y762 VanDerWaalsContact OE2-CZ 3.27Å; E717-Y762 PolarHBondContact OE2-OH 2.94Å; R750-Y762 HydrophobicContact CB-CD1 4.42Å; R750-Y762 HydrophobicContact CG-CD1 3.77Å; R750-Y762 HydrophobicContact CG-CE1 4.41Å; R750-Y762 HydrophobicContact CG-CG 4.03Å; R752-Y762 HydrophobicContact CB-CD1 3.7Å; R752-Y762 HydrophobicContact CB-CE1 4.01Å; R752-Y762 HydrophobicContact CB-CG 4.12Å; R752-Y762 VanDerWaalsContact CD-CZ 3.46Å; R752-Y762 HydrophobicContact CG-CD1 3.8Å; R752-Y762 HydrophobicContact CG-CE1 3.54Å; R752-Y762 HydrophobicContact CG-CG 4.48Å; R752-Y762 PolarHBondContact NE-OH 2.84Å; R752-Y762 VanDerWaalsContact NE-OH 3.12Å; R752-Y762 PolarHBondContact NH1-OH 3.09Å; R752-Y762 PolarHBondContact NH2-OH 3.15Å; R752-Y762 VanDerWaalsContact NH2-OH 3.16Å
763S95.1Very high90.1Very high6 Ų646 Ų464%0.04227%0.266CS..PPolyproline II helixtrans-58.2163.7162.570.10000111.5C682 V751C682-S763 WeakPolarHBondContact O-CB 3.35Å; V751-S763 PolarHBondContact N-OG 3.19Å; V751-S763 VanDerWaalsContact N-OG 3.08Å; V751-S763 PolarHBondContact O-N 3.23Å
764E93Very high89.8Confident148 Ų14848.1 Ų48.169%0.69228%0.279SS*.PPolyproline II helixtrans-55.4148.3155.9-59.9-58.5148.700109.7P684P684-E764 WeakPolarHBondContact CB-O 3.48Å; P684-E764 HydrophobicContact CG-CB 4.01Å
765P93.3Very high89.8Confident68 Ų6847 Ų4744%0.44227%0.273SS..PPolyproline II helixtrans-75.7136.2-179.429.6-33.7000111.9R748 F749R748-P765 HydrophobicContact CB-CB 4.19Å; F749-P765 CarbonylContact O-C 3.55Å; F749-P765 WeakPolarHBondContact O-CA 3.42Å
766T94.9Very high89.6Confident35 Ų3547.9 Ų47.922%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-91.1121.7164.8-51.80000109.1P684 P685 R748 F749 I768P684-T766 VanDerWaalsContact CB-OG1 3.25Å; P684-T766 WeakPolarHBondContact CB-OG1 3.37Å; P685-T766 WeakPolarHBondContact CD-OG1 2.94Å; P685-T766 VanDerWaalsContact O-CB 3.29Å; P685-T766 WeakPolarHBondContact O-CB 3.24Å; P685-T766 WeakPolarHBondContact O-CG2 3.42Å; P685-T766 PolarHBondContact O-OG1 2.87Å; R748-T766 WeakPolarHBondContact CA-O 3.4Å; F749-T766 PolarHBondContact N-O 2.93Å; F749-T766 PolarHBondContact O-N 2.96Å; T766-I768 HydrophobicContact CG2-CD1 4.13Å; T766-I768 HydrophobicContact CG2-CG1 3.81Å
767E94.8Very high90Very high125 Ų12547.4 Ų47.458%0.58428%0.278SS*.EExtended strand (participates in β ladder)trans-80.6128.1168.3-58.2-163.1135.100109.9T746 Y747 R748T746-E767 HydrophobicContact CG2-CB 4.19Å; Y747-E767 WeakPolarHBondContact O-CA 3.18Å; R748-E767 VanDerWaalsContact CD-OE1 3.29Å; R748-E767 WeakPolarHBondContact CD-OE1 3.47Å; R748-E767 HydrophobicContact CG-CG 4Å; R748-E767 IonicContact CZ-OE1 3.85Å; R748-E767 IonicContact NE-OE1 3.55Å; R748-E767 PolarHBondContact NE-OE1 2.77Å
768I92.6Very high90.5Very high14 Ų1445.9 Ų45.97%0.07226%0.263CS..EExtended strand (participates in β ladder)trans-134.6121.2179.4-59.4177.5000108.6I687 V696 L698 Y747 F749 T766I687-I768 HydrophobicContact CB-CD1 4.23Å; I687-I768 HydrophobicContact CD1-CG2 3.96Å; V696-I768 HydrophobicContact CG1-CD1 4.06Å; V696-I768 HydrophobicContact CG1-CG2 4.07Å; V696-I768 HydrophobicContact CG2-CG2 3.98Å; L698-I768 HydrophobicContact CD2-CD1 3.49Å; L698-I768 VanDerWaalsContact CD2-CD1 3.49Å; Y747-I768 PolarHBondContact N-O 2.85Å; Y747-I768 PolarHBondContact O-N 3.31Å; F749-I768 HydrophobicContact CD2-CB 4.18Å; F749-I768 HydrophobicContact CD2-CD1 3.91Å; F749-I768 HydrophobicContact CD2-CG1 4.22Å; F749-I768 HydrophobicContact CE2-CB 4.12Å; F749-I768 HydrophobicContact CE2-CD1 4.38Å; T766-I768 HydrophobicContact CG2-CD1 4.13Å; T766-I768 HydrophobicContact CG2-CG1 3.81Å
769T91.4Very high90.8Very high68 Ų6852.4 Ų52.442%0.41728%0.279SS..EExtended strand (participates in β ladder)trans-87.2130.1168.8-43.20000109.4G744 T745 T746G744-T769 WeakPolarHBondContact O-CG2 3.24Å; T745-T769 WeakPolarHBondContact O-CA 3.49Å; T746-T769 PolarHBondContact OG1-OG1 3.32Å
770T90.9Very high90.8Very high5 Ų551 Ų513%0.03128%0.281CS..PPolyproline II helixtrans-62.6157.5168.449.70000110.5K692 V696 L741 L742 P743 G744 T745 Y747K692-T770 WeakPolarHBondContact O-CB 3.46Å; V696-T770 HydrophobicContact CG2-CG2 4.11Å; L741-T770 HydrophobicContact CB-CG2 3.71Å; L741-T770 HydrophobicContact CD1-CG2 3.77Å; L741-T770 HydrophobicContact CG-CG2 4.4Å; L742-T770 WeakPolarHBondContact O-CB 3.3Å; L742-T770 PolarHBondContact O-OG1 2.64Å; P743-T770 VanDerWaalsContact C-OG1 3.31Å; G744-T770 WeakPolarHBondContact CA-O 3.23Å; G744-T770 PolarHBondContact N-OG1 2.82Å; T745-T770 PolarHBondContact N-OG1 3.23Å; T745-T770 PolarHBondContact O-N 2.94Å; T745-T770 PolarHBondContact O-OG1 2.85Å; Y747-T770 HydrophobicContact CD2-CG2 4.34Å; Y747-T770 HydrophobicContact CE2-CG2 4.24Å
771A87.8Confident91Very high35 Ų3550.9 Ų50.929%0.28928%0.279SS..PPolyproline II helixtrans-64.7154.6170.900000110.6P691 K692 H693 G744P691-A771 WeakPolarHBondContact O-CB 3.32Å; K692-A771 PolarHBondContact O-N 2.72Å; H693-A771 VanDerWaalsContact CA-O 3.28Å; H693-A771 WeakPolarHBondContact CA-O 3.46Å; H693-A771 WeakPolarHBondContact CB-O 3.39Å; G744-A771 PolarHBondContact N-O 3.35Å
772A87.8Confident91.1Very high32 Ų3251 Ų5126%0.26428%0.282SS..PPolyproline II helixtrans-60.1142.8162.900000109.8S801 A803 A851A772-S801 CarbonylContact C-O 3.53Å; A772-S801 WeakPolarHBondContact CA-O 3.32Å; A772-A803 HydrophobicContact CB-CB 3.56Å; A772-A851 HydrophobicContact CB-CB 4.26Å; A772-A851 VanDerWaalsContact O-CB 3.3Å; A772-A851 WeakPolarHBondContact O-CB 3.31Å
773G86.6Confident91.1Very high1 Ų150.8 Ų50.81%0.0128%0.283CS..PPolyproline II helixtrans-100.8166.1171.200000110.7S801 N849 A851G773-S801 PolarHBondContact N-O 3.38Å; G773-S801 VanDerWaalsContact O-CB 3.27Å; G773-S801 WeakPolarHBondContact O-CB 3.25Å; G773-N849 PolarHBondContact O-ND2 3.08Å; G773-N849 PolarHBondContact O-OD1 2.88Å; G773-A851 VanDerWaalsContact C-CB 3.47Å
774P87.8Confident90.9Very high43 Ų4352.7 Ų52.728%0.27930%0.297SS..PPolyproline II helixtrans-56.4153.4164.3-20.332.5000110.8S801 A853P774-S801 WeakPolarHBondContact O-CB 3.38Å; P774-S801 PolarHBondContact O-OG 2.83Å; P774-A853 WeakPolarHBondContact CB-O 3.26Å
775P89.9Confident90.7Very high4 Ų450.4 Ų50.43%0.02629%0.285CS..PPolyproline II helixtrans-57.2159.5-177.9-26.537.4000113.7P798 I805 A847 N849 G852 G854P775-P798 HydrophobicContact CB-CG 4.4Å; P775-I805 HydrophobicContact CB-CG1 4.43Å; P775-I805 HydrophobicContact CG-CG1 4.19Å; P775-A847 HydrophobicContact CB-CB 3.86Å; P775-A847 HydrophobicContact CG-CB 4.07Å; P775-N849 HydrophobicContact CG-CB 3.94Å; P775-G852 WeakPolarHBondContact CD-O 3.48Å; P775-G854 WeakPolarHBondContact O-CA 3.33Å
776G86.3Confident90.3Very high26 Ų2651.5 Ų51.527%0.26829%0.287SS..PPolyproline II helixtrans-58.6161.6168.700000112.3C778 E799G776-C778 PolarHBondContact O-N 3.39Å; G776-E799 PolarHBondContact N-O 2.84Å
777Q90Very high89.9Confident97 Ų9751.7 Ų51.745%0.45329%0.29SS..PPolyproline II helixtrans-57.8130.8174-162.7-173.8-0.300109.5P855 Y856 D858Q777-P855 HydrophobicContact CB-CG 3.83Å; Q777-P855 HydrophobicContact CG-CB 4.39Å; Q777-P855 HydrophobicContact CG-CG 4.03Å; Q777-Y856 WeakPolarHBondContact CG-O 3.41Å; Q777-Y856 PolarHBondContact NE2-O 3.33Å; Q777-D858 PolarHBondContact NE2-OD1 2.86Å
778C90.6Very high89.3Confident3 Ų348.4 Ų48.42%0.0228%0.276CS..PPolyproline II helixtrans-61.2142.3173-71.20000110.3G776 L845 A847 S857G776-C778 PolarHBondContact O-N 3.39Å; C778-L845 HydrophobicContact CB-CB 4.34Å; C778-L845 HydrophobicContact CB-CD2 3.96Å; C778-L845 HydrophobicContact CB-CG 4.27Å; C778-L845 WeakPolarHBondContact CB-O 3.31Å; C778-A847 PolarHBondContact SG-N 2.85Å; C778-A847 VanDerWaalsContact SG-N 3.41Å; C778-S857 WeakPolarHBondContact O-CA 3.49Å; C778-S857 VanDerWaalsContact O-CB 3.24Å; C778-S857 WeakPolarHBondContact O-CB 3.33Å
779R90.4Very high89Confident165 Ų16550.7 Ų50.762%0.62329%0.291SS*.PPolyproline II helixtrans-60.2148.6164.1-73.1178.4175.8173.21.5109.2E796R779-E796 VanDerWaalsContact CD-OE2 3.24Å; R779-E796 WeakPolarHBondContact CD-OE2 3.39Å; R779-E796 IonicContact CZ-OE2 2.62Å; R779-E796 IonicContact NE-OE2 2.68Å; R779-E796 IonicContact NH1-OE1 2.78Å; R779-E796 IonicContact NH1-OE2 2.99Å; R779-E796 PolarHBondContact NH1-OE2 2.84Å
780P90.4Very high88.8Confident65 Ų6548.1 Ų48.142%0.42228%0.275SS..PPolyproline II helixtrans-54.3126.2174.6-23.633.7000110.3D858 V860P780-D858 HydrophobicContact CG-CB 4.26Å; P780-V860 HydrophobicContact CB-CG2 3.47Å; P780-V860 VanDerWaalsContact CB-CG2 3.47Å
781P92.9Very high89Confident6 Ų647.9 Ų47.94%0.03927%0.274CS..PPolyproline II helixtrans-62.2141.2-175.622.3-33.8000112.5V793 S794 L845 V860P781-V793 HydrophobicContact CB-CG1 3.7Å; P781-V793 HydrophobicContact CG-CG1 4.3Å; P781-S794 CarbonylContact C-O 3.58Å; P781-S794 WeakPolarHBondContact CA-O 3.47Å; P781-L845 HydrophobicContact CG-CB 4.45Å; P781-V860 HydrophobicContact CG-CB 4.5Å; P781-V860 HydrophobicContact CG-CG2 4.03Å
782S92.5Very high89.3Confident78 Ų7848.6 Ų48.655%0.54527%0.272SS..EExtended strand (participates in β ladder)trans-82.3121.1176.3-68.90000110.5S794S782-S794 PolarHBondContact N-O 2.89Å; S782-S794 PolarHBondContact O-N 2.78Å; S782-S794 PolarHBondContact O-OG 2.68Å
783L93.3Very high89.6Confident42 Ų4247 Ų4722%0.2226%0.26CS..EExtended strand (participates in β ladder)trans-98.2134.6-179-59.7-180000111.2V791 V793 W812 V860 C862L783-V791 HydrophobicContact CB-CG1 4.18Å; L783-V791 HydrophobicContact CD2-CG1 4.08Å; L783-V793 HydrophobicContact CD2-CB 4.09Å; L783-V793 HydrophobicContact CD2-CG1 3.85Å; L783-V793 HydrophobicContact CD2-CG2 3.7Å; L783-W812 HydrophobicContact CD2-CZ3 4.26Å; L783-V860 HydrophobicContact CD1-CG1 3.52Å; L783-V860 HydrophobicContact CG-CG1 4.02Å; L783-C862 HydrophobicContact CD1-CB 3.55Å
784S91.2Very high90Very high47 Ų4748.8 Ų48.833%0.32927%0.272SS..EExtended strand (participates in β ladder)trans-131.3114.5174.951.10000110.2L786 L792S784-L786 PolarHBondContact O-N 3.08Å; S784-L792 PolarHBondContact N-O 2.79Å; S784-L792 PolarHBondContact O-N 2.83Å; S784-L792 WeakPolarHBondContact OG-CB 3.24Å; S784-L792 PolarHBondContact OG-O 2.82Å
785F88.4Confident90.3Very high99 Ų9947.7 Ų47.743%0.43426%0.262SS..EExtended strand (participates in β ladder)trans-70.9119.2178.3-53-83000109.3V791 C862 K863 L864F785-V791 HydrophobicContact CD1-CG2 3.76Å; F785-V791 HydrophobicContact CE1-CG2 4.17Å; F785-C862 HydrophobicContact CE1-CB 4.36Å; F785-C862 HydrophobicContact CZ-CB 4.15Å; F785-K863 VanDerWaalsContact CE1-O 3.32Å; F785-K863 WeakPolarHBondContact CE1-O 3.37Å; F785-K863 WeakPolarHBondContact CZ-O 3.45Å; F785-L864 HydrophobicContact CD1-CG 4.24Å; F785-L864 HydrophobicContact CE1-CG 4.35Å
786L86.9Confident90.4Very high91 Ų9153 Ų5348%0.47629%0.286SS..  trans-90.9-31.6175.2-63.8-178.5000110.9S784 S790 L792 E831S784-L786 PolarHBondContact O-N 3.08Å; L786-S790 PolarHBondContact N-O 2.83Å; L786-L792 HydrophobicContact CD1-CB 3.85Å; L786-L792 HydrophobicContact CD2-CB 4.32Å; L786-L792 HydrophobicContact CG-CB 3.97Å; L786-E831 VanDerWaalsContact CD1-CD 3.46Å; L786-E831 HydrophobicContact CD1-CG 3.97Å; L786-E831 WeakPolarHBondContact CD1-OE1 3.29Å
787S85.1Confident90.4Very high40 Ų4055.2 Ų55.228%0.2830%0.298SS..SBendtrans-149.1-167.5172.870.40000111.5T789 S790S787-T789 PolarHBondContact OG-N 2.94Å; S787-T789 PolarHBondContact OG-OG1 3.25Å; S787-S790 PolarHBondContact N-O 3.16Å; S787-S790 PolarHBondContact OG-N 3.22Å; S787-S790 PolarHBondContact OG-OG 3.47Å
788D82Confident90.4Very high56 Ų5651.3 Ų51.330%0.29928%0.281SS..SBendtrans-74-6164.656.4-3.9000114.3A837 L864 P865 S867D788-A837 HydrophobicContact CB-CB 4.27Å; D788-A837 VanDerWaalsContact O-CA 3.32Å; D788-A837 WeakPolarHBondContact O-CA 3.29Å; D788-L864 VanDerWaalsContact O-CD2 3.3Å; D788-L864 WeakPolarHBondContact O-CD2 3.39Å; D788-P865 HydrophobicContact CB-CG 4.46Å; D788-S867 WeakPolarHBondContact OD2-CB 3.38Å
789T86.2Confident90Very high62 Ų6259.3 Ų59.338%0.3832%0.318SS..SBendtrans-137.3-2.5-169.7440000113.3S787 S833 E834 L835S787-T789 PolarHBondContact OG-N 2.94Å; S787-T789 PolarHBondContact OG-OG1 3.25Å; T789-S833 CarbonylContact O-C 3.5Å; T789-E834 PolarHBondContact O-N 3.27Å; T789-E834 VanDerWaalsContact O-N 3.11Å; T789-L835 WeakPolarHBondContact CA-O 3.27Å; T789-L835 WeakPolarHBondContact CG2-O 3.49Å; T789-L835 WeakPolarHBondContact O-CB 3.5Å; T789-L835 PolarHBondContact O-N 2.83Å
790S88.5Confident89.4Confident13 Ų1354.4 Ų54.49%0.09131%0.309CS..  trans-145.6146.4173.5750000115L786 S787 E831 I832L786-S790 PolarHBondContact N-O 2.83Å; S787-S790 PolarHBondContact N-O 3.16Å; S787-S790 PolarHBondContact OG-N 3.22Å; S787-S790 PolarHBondContact OG-OG 3.47Å; S790-E831 PolarHBondContact OG-OE1 2.88Å; S790-I832 CarbonylContact C-O 3.55Å; S790-I832 WeakPolarHBondContact CA-O 3.18Å; S790-I832 VanDerWaalsContact CB-O 3.24Å; S790-I832 WeakPolarHBondContact CB-O 3.47Å
791V93.5Very high89.1Confident0 Ų052.4 Ų52.40%030%0.296CS..EExtended strand (participates in β ladder)trans-132.3127.2-178.3-179.10000109.6L783 F785 W812 I832 L835 L864L783-V791 HydrophobicContact CB-CG1 4.18Å; L783-V791 HydrophobicContact CD2-CG1 4.08Å; F785-V791 HydrophobicContact CD1-CG2 3.76Å; F785-V791 HydrophobicContact CE1-CG2 4.17Å; V791-W812 HydrophobicContact CB-CH2 4.22Å; V791-W812 HydrophobicContact CG1-CH2 4.34Å; V791-W812 HydrophobicContact CG2-CH2 4.28Å; V791-I832 PolarHBondContact N-O 2.98Å; V791-I832 PolarHBondContact O-N 2.9Å; V791-L835 HydrophobicContact CB-CD1 4.25Å; V791-L835 HydrophobicContact CG2-CD1 3.89Å; V791-L864 HydrophobicContact CG2-CD1 3.98Å; V791-L864 HydrophobicContact CG2-CD2 4.21Å; V791-L864 HydrophobicContact CG2-CG 4.02Å
792L94.4Very high88.3Confident50 Ų5054.2 Ų54.226%0.26232%0.316SS..EExtended strand (participates in β ladder)trans-88.3113.8167.9174.464.5000109.4S784 L786 C829 E831S784-L792 PolarHBondContact N-O 2.79Å; S784-L792 PolarHBondContact O-N 2.83Å; S784-L792 WeakPolarHBondContact OG-CB 3.24Å; S784-L792 PolarHBondContact OG-O 2.82Å; L786-L792 HydrophobicContact CD1-CB 3.85Å; L786-L792 HydrophobicContact CD2-CB 4.32Å; L786-L792 HydrophobicContact CG-CB 3.97Å; L792-C829 HydrophobicContact CD1-CB 4.05Å; L792-E831 HydrophobicContact CD1-CB 4.35Å
793V95Very high87.9Confident0 Ų051.5 Ų51.50%030%0.298CS..EExtended strand (participates in β ladder)trans-88.5134.7173.1-169.60000108.3P781 L783 W795 L810 W812 C829 F830 I832P781-V793 HydrophobicContact CB-CG1 3.7Å; P781-V793 HydrophobicContact CG-CG1 4.3Å; L783-V793 HydrophobicContact CD2-CB 4.09Å; L783-V793 HydrophobicContact CD2-CG1 3.85Å; L783-V793 HydrophobicContact CD2-CG2 3.7Å; V793-W795 HydrophobicContact CB-CZ3 4.2Å; V793-W795 HydrophobicContact CG1-CE3 4.04Å; V793-W795 HydrophobicContact CG1-CZ3 3.95Å; V793-L810 HydrophobicContact CB-CD2 4Å; V793-L810 HydrophobicContact CG1-CD1 3.98Å; V793-L810 HydrophobicContact CG1-CD2 3.87Å; V793-L810 HydrophobicContact CG2-CD2 4.12Å; V793-W812 HydrophobicContact CG2-CE3 4.33Å; V793-W812 HydrophobicContact CG2-CZ3 4.11Å; V793-C829 CarbonylContact O-C 3.6Å; V793-C829 WeakPolarHBondContact O-CA 3.15Å; V793-C829 VanDerWaalsContact O-CB 3.29Å; V793-C829 WeakPolarHBondContact O-CB 3.47Å; V793-F830 PolarHBondContact N-O 2.04Å; V793-F830 PolarHBondContact O-N 2.68Å; V793-I832 HydrophobicContact CG2-CD1 3.7Å; V793-I832 HydrophobicContact CG2-CG1 4.26Å
794S94.1Very high87.6Confident38 Ų3856.1 Ų56.127%0.26632%0.323SS..EExtended strand (participates in β ladder)trans-142148.8-178.159.30000111.9P781 S782P781-S794 CarbonylContact C-O 3.58Å; P781-S794 WeakPolarHBondContact CA-O 3.47Å; S782-S794 PolarHBondContact N-O 2.89Å; S782-S794 PolarHBondContact O-N 2.78Å; S782-S794 PolarHBondContact O-OG 2.68Å
795W95.1Very high87.5Confident20 Ų2055.5 Ų55.58%0.07632%0.316CS..  trans-148.2159.2-174.553.593.1000113.6V793 Y808 L810 D827 T828 F830 L845V793-W795 HydrophobicContact CB-CZ3 4.2Å; V793-W795 HydrophobicContact CG1-CE3 4.04Å; V793-W795 HydrophobicContact CG1-CZ3 3.95Å; W795-Y808 AromaticContact CD1-CD1 3.84Å; W795-Y808 AromaticContact CD1-CE1 3.87Å; W795-Y808 HydrophobicContact CZ2-CG 4.48Å; W795-Y808 AromaticContact NE1-CD1 3.47Å; W795-Y808 AromaticContact NE1-CD2 3.51Å; W795-Y808 AromaticContact NE1-CE1 3.85Å; W795-Y808 AromaticContact NE1-CE2 3.9Å; W795-Y808 AromaticContact NE1-CG 3.29Å; W795-Y808 VanDerWaalsContact NE1-CG 3.29Å; W795-L810 HydrophobicContact CH2-CD2 4.3Å; W795-L810 HydrophobicContact CZ3-CD2 3.99Å; W795-D827 WeakPolarHBondContact CZ2-O 3.47Å; W795-D827 PolarHBondContact NE1-O 2.73Å; W795-D827 VanDerWaalsContact NE1-O 3.16Å; W795-T828 PolarHBondContact N-O 3.01Å; W795-F830 HydrophobicContact CH2-CB 3.85Å; W795-F830 HydrophobicContact CZ3-CB 4.12Å; W795-L845 HydrophobicContact CB-CD2 3.4Å; W795-L845 HydrophobicContact CD2-CD1 3.93Å; W795-L845 HydrophobicContact CD2-CD2 3.64Å; W795-L845 HydrophobicContact CD2-CG 4.46Å; W795-L845 HydrophobicContact CE3-CD1 4.2Å; W795-L845 HydrophobicContact CE3-CD2 4.28Å; W795-L845 HydrophobicContact CG-CD1 4.4Å; W795-L845 HydrophobicContact CG-CD2 3.25Å; W795-L845 HydrophobicContact CG-CG 4.46Å; W795-L845 HydrophobicContact CH2-CD1 4.35Å; W795-L845 HydrophobicContact CZ2-CD1 4.08Å; W795-L845 HydrophobicContact CZ3-CD1 4.41Å
796E91.1Very high87.6Confident114 Ų11454 Ų5453%0.53332%0.317SS..PPolyproline II helixtrans-97154.7171.7-62.4179133.500110.1R779 P798R779-E796 VanDerWaalsContact CD-OE2 3.24Å; R779-E796 WeakPolarHBondContact CD-OE2 3.39Å; R779-E796 IonicContact CZ-OE2 2.62Å; R779-E796 IonicContact NE-OE2 2.68Å; R779-E796 IonicContact NH1-OE1 2.78Å; R779-E796 IonicContact NH1-OE2 2.99Å; R779-E796 PolarHBondContact NH1-OE2 2.84Å; E796-P798 WeakPolarHBondContact O-CD 3.26Å
797S87.9Confident88Confident73 Ų7351.8 Ų51.851%0.5131%0.305SS..PPolyproline II helixtrans-64.5125.8169.5-178.20000110.2I805 Y808S797-I805 WeakPolarHBondContact OG-CD1 3.34Å; S797-Y808 WeakPolarHBondContact CA-OH 3.35Å; S797-Y808 WeakPolarHBondContact CB-OH 3.45Å; S797-Y808 PolarHBondContact OG-OH 2.68Å
798P88.9Confident88.5Confident15 Ų1550.5 Ų50.510%0.09729%0.294CS..PPolyproline II helixtrans-66.4170.1165.929.2-33.8000111.1P775 E796 C800 I805 A847P775-P798 HydrophobicContact CB-CG 4.4Å; E796-P798 WeakPolarHBondContact O-CD 3.26Å; P798-C800 PolarHBondContact O-N 2.87Å; P798-I805 HydrophobicContact CG-CD1 3.69Å; P798-A847 HydrophobicContact CG-CB 3.65Å
799E81.9Confident89.1Confident171 Ų17151.5 Ų51.580%0.79929%0.293SS*.PPolyproline II helixtrans-65.5129.8176.7-65.9178.517400111.1G776 S801G776-E799 PolarHBondContact N-O 2.84Å; E799-S801 PolarHBondContact O-N 2.76Å
800C78.6Confident89.5Confident63 Ų6348.5 Ų48.543%0.42628%0.275SS..  trans-75.6113.2-179.9-65.80000110.7P798 G802P798-C800 PolarHBondContact O-N 2.87Å; C800-G802 PolarHBondContact O-N 2.72Å
801S82.9Confident89.9Confident23 Ų2348.9 Ų48.916%0.16128%0.275CS..SBendtrans-70.951.4174.8-62.40000113.3P743 A772 G773 P774 E799 A803P743-S801 VanDerWaalsContact CB-O 3.25Å; P743-S801 WeakPolarHBondContact CB-O 3.25Å; A772-S801 CarbonylContact C-O 3.53Å; A772-S801 WeakPolarHBondContact CA-O 3.32Å; G773-S801 PolarHBondContact N-O 3.38Å; G773-S801 VanDerWaalsContact O-CB 3.27Å; G773-S801 WeakPolarHBondContact O-CB 3.25Å; P774-S801 WeakPolarHBondContact O-CB 3.38Å; P774-S801 PolarHBondContact O-OG 2.83Å; E799-S801 PolarHBondContact O-N 2.76Å; S801-A803 VanDerWaalsContact C-N 3.34Å; S801-A803 PolarHBondContact O-N 3.29Å
802G77.4Confident89.9Confident44 Ų4449.6 Ų49.645%0.45428%0.278SS..SBendtrans80.55.3177.800000116.1C800C800-G802 PolarHBondContact O-N 2.72Å
803A84.1Confident89.9Confident21 Ų2147.5 Ų47.517%0.17427%0.269CS..SBendtrans-150.6143.8168.600000110.6A772 S801 N849A772-A803 HydrophobicContact CB-CB 3.56Å; S801-A803 VanDerWaalsContact C-N 3.34Å; S801-A803 PolarHBondContact O-N 3.29Å; A803-N849 PolarHBondContact O-ND2 2.9Å; A803-N849 VanDerWaalsContact O-ND2 3.14Å
804D86.1Confident89.6Confident139 Ų13953.4 Ų53.474%0.74330%0.296SS*.  trans-62.6146.6-178.4-58.5-44.6000112.6N849D804-N849 WeakPolarHBondContact O-CB 3.49Å
805I90.6Very high89.3Confident33 Ų3355.7 Ų55.717%0.16931%0.305CS..EExtended strand (participates in β ladder)trans-71.2128.4179.4-60172.8000109.7P775 S797 P798 Y808 A847 V848P775-I805 HydrophobicContact CB-CG1 4.43Å; P775-I805 HydrophobicContact CG-CG1 4.19Å; S797-I805 WeakPolarHBondContact OG-CD1 3.34Å; P798-I805 HydrophobicContact CG-CD1 3.69Å; I805-Y808 HydrophobicContact CD1-CE1 4.27Å; I805-Y808 HydrophobicContact CG2-CE1 4.14Å; I805-Y808 HydrophobicContact CG2-CE2 4.17Å; I805-A847 HydrophobicContact CD1-CB 4.08Å; I805-A847 HydrophobicContact CG1-CB 4.48Å; I805-A847 HydrophobicContact CG2-CB 4.07Å; I805-V848 CarbonylContact C-O 3.56Å; I805-V848 WeakPolarHBondContact CG2-O 3.42Å
806S90.3Very high89Confident67 Ų6760.7 Ų60.747%0.46933%0.33SS..EExtended strand (participates in β ladder)trans-98.2-30.4-178.857.80000113.8T826 V848 N849S806-T826 VanDerWaalsContact O-CG2 3.29Å; S806-T826 WeakPolarHBondContact O-CG2 3.4Å; S806-V848 PolarHBondContact N-O 3.04Å; S806-V848 PolarHBondContact OG-O 3.07Å; S806-V848 VanDerWaalsContact OG-O 3.11Å; S806-N849 WeakPolarHBondContact OG-CA 3.46Å
807E93.6Very high88.8Confident45 Ų4564.4 Ų64.421%0.2135%0.347CS..EExtended strand (participates in β ladder)trans-157.9156.7174.760.3179.1-15400111.8R809 N824 G825 V848E807-R809 IonicContact OE1-CZ 2.84Å; E807-R809 IonicContact OE1-NE 2.7Å; E807-R809 PolarHBondContact OE1-NE 3.42Å; E807-R809 IonicContact OE1-NH2 3.94Å; E807-R809 PolarHBondContact OE1-NH2 3.48Å; E807-N824 PolarHBondContact OE1-OD1 2.64Å; E807-N824 PolarHBondContact OE2-ND2 3.23Å; E807-N824 PolarHBondContact OE2-OD1 2.93Å; E807-G825 CarbonylContact C-O 3.54Å; E807-G825 VanDerWaalsContact CA-O 3.29Å; E807-G825 WeakPolarHBondContact CA-O 3.12Å; E807-V848 HydrophobicContact CG-CB 3.63Å; E807-V848 HydrophobicContact CG-CG1 4.18Å; E807-V848 HydrophobicContact CG-CG2 3.88Å; E807-V848 PolarHBondContact N-O 3.32Å; E807-V848 PolarHBondContact O-N 3.23Å
808Y95.6Very high88.9Confident14 Ų1463.3 Ų63.36%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-112.4138.3168.4-64.6-80.7000109.5W795 S797 I805 N824 G825 D827 Q846 A847W795-Y808 AromaticContact CD1-CD1 3.84Å; W795-Y808 AromaticContact CD1-CE1 3.87Å; W795-Y808 HydrophobicContact CZ2-CG 4.48Å; W795-Y808 AromaticContact NE1-CD1 3.47Å; W795-Y808 AromaticContact NE1-CD2 3.51Å; W795-Y808 AromaticContact NE1-CE1 3.85Å; W795-Y808 AromaticContact NE1-CE2 3.9Å; W795-Y808 AromaticContact NE1-CG 3.29Å; W795-Y808 VanDerWaalsContact NE1-CG 3.29Å; S797-Y808 WeakPolarHBondContact CA-OH 3.35Å; S797-Y808 WeakPolarHBondContact CB-OH 3.45Å; S797-Y808 PolarHBondContact OG-OH 2.68Å; I805-Y808 HydrophobicContact CD1-CE1 4.27Å; I805-Y808 HydrophobicContact CG2-CE1 4.14Å; I805-Y808 HydrophobicContact CG2-CE2 4.17Å; Y808-N824 VanDerWaalsContact O-CA 3.3Å; Y808-N824 WeakPolarHBondContact O-CA 3.44Å; Y808-N824 PolarHBondContact O-OD1 2.82Å; Y808-G825 PolarHBondContact N-O 2.93Å; Y808-G825 PolarHBondContact O-N 2.89Å; Y808-G825 VanDerWaalsContact O-N 3.16Å; Y808-D827 VanDerWaalsContact CD2-O 3.29Å; Y808-D827 WeakPolarHBondContact CD2-O 3.32Å; Y808-Q846 WeakPolarHBondContact CA-O 3.24Å; Y808-A847 HydrophobicContact CD1-CB 3.88Å; Y808-A847 HydrophobicContact CE1-CB 3.84Å
809R95.2Very high89.1Confident76 Ų7663.7 Ų63.729%0.28734%0.34SS..EExtended strand (participates in β ladder)trans-118.2114.8176.6-67.8173.3-170.31723.7109.6E807 L821 H823 N824 L845 Q846 V848E807-R809 IonicContact OE1-CZ 2.84Å; E807-R809 IonicContact OE1-NE 2.7Å; E807-R809 PolarHBondContact OE1-NE 3.42Å; E807-R809 IonicContact OE1-NH2 3.94Å; E807-R809 PolarHBondContact OE1-NH2 3.48Å; R809-L821 HydrophobicContact CB-CD1 3.68Å; R809-L821 HydrophobicContact CG-CD1 4.13Å; R809-H823 WeakPolarHBondContact CA-O 3.35Å; R809-N824 HydrophobicContact CG-CB 4.36Å; R809-N824 WeakPolarHBondContact CG-OD1 3.06Å; R809-L845 WeakPolarHBondContact O-CA 3.37Å; R809-Q846 HydrophobicContact CB-CG 3.74Å; R809-Q846 PolarHBondContact N-O 2.6Å; R809-Q846 PolarHBondContact O-N 3.19Å; R809-V848 HydrophobicContact CG-CG2 4.38Å
810L95.8Very high89.5Confident0 Ų062.6 Ų62.60%034%0.335CS..EExtended strand (participates in β ladder)trans-103.8125177.2177.667.5000109.7V793 W795 V822 H823 F830 I832 C843 L845V793-L810 HydrophobicContact CB-CD2 4Å; V793-L810 HydrophobicContact CG1-CD1 3.98Å; V793-L810 HydrophobicContact CG1-CD2 3.87Å; V793-L810 HydrophobicContact CG2-CD2 4.12Å; W795-L810 HydrophobicContact CH2-CD2 4.3Å; W795-L810 HydrophobicContact CZ3-CD2 3.99Å; L810-V822 HydrophobicContact CB-CG2 4.43Å; L810-V822 HydrophobicContact CD2-CG2 4.02Å; L810-V822 HydrophobicContact CG-CG2 3.99Å; L810-V822 WeakPolarHBondContact O-CG2 3.41Å; L810-V822 PolarHBondContact O-N 2.75Å; L810-H823 HydrophobicContact CB-CB 4.16Å; L810-H823 PolarHBondContact N-O 3.11Å; L810-H823 PolarHBondContact O-N 2.85Å; L810-F830 HydrophobicContact CD2-CB 4.26Å; L810-F830 HydrophobicContact CD2-CD1 4.16Å; L810-I832 HydrophobicContact CD2-CD1 4.23Å; L810-C843 HydrophobicContact CD1-CB 4.27Å; L810-L845 HydrophobicContact CB-CD1 3.92Å; L810-L845 HydrophobicContact CD1-CB 4.38Å; L810-L845 HydrophobicContact CD1-CD1 4.17Å
811E95.2Very high90.3Very high20 Ų2064.1 Ų64.19%0.09334%0.339CS..EExtended strand (participates in β ladder)trans-107141.7171.9-73.9165.2-164.200110.5L819 E820 L821 C843 R844 Y856E811-L819 HydrophobicContact CB-CB 4.31Å; E811-L819 HydrophobicContact CB-CD2 4.23Å; E811-E820 CarbonylContact C-O 3.48Å; E811-E820 WeakPolarHBondContact CA-O 3.47Å; E811-L821 HydrophobicContact CG-CB 4.32Å; E811-L821 HydrophobicContact CG-CD1 4.25Å; E811-C843 CarbonylContact O-C 3.56Å; E811-C843 WeakPolarHBondContact O-CA 3.25Å; E811-C843 WeakPolarHBondContact O-CB 3.44Å; E811-R844 HydrophobicContact CB-CG 4.15Å; E811-R844 PolarHBondContact N-O 2.9Å; E811-R844 PolarHBondContact O-N 2.81Å; E811-R844 IonicContact OE2-CZ 2.87Å; E811-R844 IonicContact OE2-NE 2.71Å; E811-R844 PolarHBondContact OE2-NE 2.81Å; E811-R844 IonicContact OE2-NH2 2.68Å; E811-R844 PolarHBondContact OE2-NH2 3.1Å; E811-Y856 HydrophobicContact CG-CE1 4.3Å; E811-Y856 VanDerWaalsContact OE1-CE1 3.28Å; E811-Y856 WeakPolarHBondContact OE1-CE1 3.43Å; E811-Y856 VanDerWaalsContact OE1-CZ 3.27Å; E811-Y856 PolarHBondContact OE1-OH 3.18Å; E811-Y856 VanDerWaalsContact OE2-CE1 3.25Å; E811-Y856 WeakPolarHBondContact OE2-CE1 3.32Å; E811-Y856 PolarHBondContact OE2-OH 2.99Å
812W95.1Very high90.8Very high16 Ų1665.6 Ų65.66%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-142.2142.9-177.4179.5-80.5000110.2L783 V791 V793 E820 V822 I832 L835 Y841 C842 C843L783-W812 HydrophobicContact CD2-CZ3 4.26Å; V791-W812 HydrophobicContact CB-CH2 4.22Å; V791-W812 HydrophobicContact CG1-CH2 4.34Å; V791-W812 HydrophobicContact CG2-CH2 4.28Å; V793-W812 HydrophobicContact CG2-CE3 4.33Å; V793-W812 HydrophobicContact CG2-CZ3 4.11Å; W812-E820 PolarHBondContact N-O 2.83Å; W812-E820 PolarHBondContact O-N 3.07Å; W812-V822 HydrophobicContact CB-CG1 3.92Å; W812-V822 HydrophobicContact CB-CG2 3.74Å; W812-I832 HydrophobicContact CB-CD1 4.03Å; W812-I832 HydrophobicContact CD2-CD1 3.48Å; W812-I832 VanDerWaalsContact CD2-CD1 3.48Å; W812-I832 HydrophobicContact CD2-CG2 4.48Å; W812-I832 HydrophobicContact CE3-CD1 3.32Å; W812-I832 HydrophobicContact CG-CD1 3.8Å; W812-I832 HydrophobicContact CZ3-CD1 3.99Å; W812-L835 HydrophobicContact CH2-CD1 4.31Å; W812-L835 HydrophobicContact CZ2-CD1 3.68Å; W812-L835 HydrophobicContact CZ2-CD2 3.91Å; W812-L835 HydrophobicContact CZ2-CG 4.47Å; W812-Y841 AromaticContact CE2-CD1 3.83Å; W812-Y841 AromaticContact CE2-CG 3.74Å; W812-Y841 HydrophobicContact CH2-CG 4.49Å; W812-Y841 HydrophobicContact CZ2-CD1 4.03Å; W812-Y841 AromaticContact CZ2-CD2 3.87Å; W812-Y841 HydrophobicContact CZ2-CD2 3.87Å; W812-Y841 AromaticContact CZ2-CG 3.47Å; W812-Y841 HydrophobicContact CZ2-CG 3.47Å; W812-Y841 VanDerWaalsContact CZ2-CG 3.47Å; W812-Y841 AromaticContact NE1-CD1 3.25Å; W812-Y841 AromaticContact NE1-CE1 3.86Å; W812-Y841 AromaticContact NE1-CG 3.67Å; W812-C842 WeakPolarHBondContact CA-O 3.34Å; W812-C843 HydrophobicContact CD2-CB 4.39Å; W812-C843 HydrophobicContact CE3-CB 3.57Å; W812-C843 HydrophobicContact CZ3-CB 4.2Å
813G92.8Very high91.5Very high6 Ų664.3 Ų64.36%0.06233%0.329CS..EExtended strand (participates in β ladder)trans-166.8170.3-177.400000111.7D815 S818 Y841 C842G813-D815 VanDerWaalsContact C-N 3.34Å; G813-S818 WeakPolarHBondContact CA-O 3.24Å; G813-Y841 CarbonylContact O-C 3.58Å; G813-Y841 VanDerWaalsContact O-CA 3.29Å; G813-Y841 WeakPolarHBondContact O-CA 3.15Å; G813-Y841 WeakPolarHBondContact O-CB 3.16Å; G813-Y841 WeakPolarHBondContact O-CD1 3.44Å; G813-C842 PolarHBondContact N-O 2.87Å; G813-C842 PolarHBondContact O-N 3Å
814E89.6Confident91.9Very high124 Ų12467 Ų6758%0.57934%0.34SS*.SBendtrans-71.9-34.1175.6-65.5-172.1165.700110.9S818 Y841E814-S818 PolarHBondContact N-OG 2.7Å; E814-S818 VanDerWaalsContact N-OG 3.15Å; E814-Y841 HydrophobicContact CG-CD1 3.97Å; E814-Y841 HydrophobicContact CG-CE1 3.62Å
815D88.5Confident92.2Very high85 Ų8561.2 Ų61.246%0.45531%0.313SS..SBendtrans-142.3179.2176.362.726.8000111.5G813 E817 S818 C842G813-D815 VanDerWaalsContact C-N 3.34Å; D815-E817 PolarHBondContact O-N 3.47Å; D815-E817 PolarHBondContact OD1-N 3.22Å; D815-E817 VanDerWaalsContact OD1-N 3.11Å; D815-S818 PolarHBondContact N-OG 2.89Å; D815-S818 PolarHBondContact O-N 2.88Å; D815-S818 PolarHBondContact O-OG 2.86Å; D815-S818 WeakPolarHBondContact OD1-CB 3.22Å; D815-S818 PolarHBondContact OD1-N 3.33Å; D815-S818 PolarHBondContact OD1-OG 3.28Å; D815-C842 PolarHBondContact O-SG 3.15Å
816E88.3Confident92.2Very high125 Ų12564.6 Ų64.658%0.58434%0.335SS*.THydrogen-bonded Turntrans-69.9-18.5-176.2-165.9174.7179.100113.4L819 L859E816-L819 HydrophobicContact CG-CD1 4.06Å; E816-L859 HydrophobicContact CB-CD2 4.08Å; E816-L859 HydrophobicContact CG-CD2 4.1Å
817E86.4Confident92.3Very high193 Ų19365.7 Ų65.790%0.90234%0.336SS*.THydrogen-bonded Turntrans-86.3-21.7177-62.8-168.3-178.100112.4D815D815-E817 PolarHBondContact O-N 3.47Å; D815-E817 PolarHBondContact OD1-N 3.22Å; D815-E817 VanDerWaalsContact OD1-N 3.11Å
818S89.9Confident92.2Very high49 Ų4967.1 Ų67.134%0.34335%0.348SS..SBendtrans-10214.7-179.2550000114.9G813 E814 D815 E820G813-S818 WeakPolarHBondContact CA-O 3.24Å; E814-S818 PolarHBondContact N-OG 2.7Å; E814-S818 VanDerWaalsContact N-OG 3.15Å; D815-S818 PolarHBondContact N-OG 2.89Å; D815-S818 PolarHBondContact O-N 2.88Å; D815-S818 PolarHBondContact O-OG 2.86Å; D815-S818 WeakPolarHBondContact OD1-CB 3.22Å; D815-S818 PolarHBondContact OD1-N 3.33Å; D815-S818 PolarHBondContact OD1-OG 3.28Å; S818-E820 PolarHBondContact O-N 3.32Å
819L92.4Very high92.1Very high24 Ų2469.4 Ų69.413%0.12637%0.365CS..  trans-65.4109.6176.8-78169.3000112.6E811 E816 R844 L859E811-L819 HydrophobicContact CB-CB 4.31Å; E811-L819 HydrophobicContact CB-CD2 4.23Å; E816-L819 HydrophobicContact CG-CD1 4.06Å; L819-R844 HydrophobicContact CD1-CG 4.16Å; L819-R844 VanDerWaalsContact CD1-CZ 3.48Å; L819-L859 HydrophobicContact CD1-CD1 3.92Å
820E92.1Very high92Very high148 Ų14868.7 Ų68.769%0.69236%0.364SS*.EExtended strand (participates in β ladder)trans-108.7152.1172.6-65.4-161.4162.200112.5E811 W812 S818 V822E811-E820 CarbonylContact C-O 3.48Å; E811-E820 WeakPolarHBondContact CA-O 3.47Å; W812-E820 PolarHBondContact N-O 2.83Å; W812-E820 PolarHBondContact O-N 3.07Å; S818-E820 PolarHBondContact O-N 3.32Å; E820-V822 PolarHBondContact O-N 2.7Å
821L94Very high92Very high95 Ų9573.6 Ų73.650%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-76100.8-179.2-179.970.6000111.1R809 E811 H823R809-L821 HydrophobicContact CB-CD1 3.68Å; R809-L821 HydrophobicContact CG-CD1 4.13Å; E811-L821 HydrophobicContact CG-CB 4.32Å; E811-L821 HydrophobicContact CG-CD1 4.25Å; L821-H823 WeakPolarHBondContact CD1-O 3.19Å
822V93.3Very high91.9Very high54 Ų5473.4 Ų73.433%0.32739%0.387SS..EExtended strand (participates in β ladder)trans-91.5-23.8-176.8-66.50000114.3L810 W812 E820 F830 I832L810-V822 HydrophobicContact CB-CG2 4.43Å; L810-V822 HydrophobicContact CD2-CG2 4.02Å; L810-V822 HydrophobicContact CG-CG2 3.99Å; L810-V822 WeakPolarHBondContact O-CG2 3.41Å; L810-V822 PolarHBondContact O-N 2.75Å; W812-V822 HydrophobicContact CB-CG1 3.92Å; W812-V822 HydrophobicContact CB-CG2 3.74Å; E820-V822 PolarHBondContact O-N 2.7Å; V822-F830 HydrophobicContact CB-CE1 4.17Å; V822-F830 HydrophobicContact CG2-CD1 4.45Å; V822-F830 HydrophobicContact CG2-CE1 4.23Å; V822-F830 WeakPolarHBondContact O-CZ 3.14Å; V822-I832 HydrophobicContact CG2-CD1 3.98Å
823H92.6Very high91.6Very high17 Ų1776.1 Ų76.18%0.07941%0.408CS..EExtended strand (participates in β ladder)trans-141.2136.6174.7174.295.5000111.7R809 L810 L821 G825 D827 F830R809-H823 WeakPolarHBondContact CA-O 3.35Å; L810-H823 HydrophobicContact CB-CB 4.16Å; L810-H823 PolarHBondContact N-O 3.11Å; L810-H823 PolarHBondContact O-N 2.85Å; L821-H823 WeakPolarHBondContact CD1-O 3.19Å; H823-G825 WeakPolarHBondContact NE2-CA 3.49Å; H823-G825 PolarHBondContact NE2-N 3.01Å; H823-D827 IonicContact CE1-OD2 3.12Å; H823-F830 HydrophobicContact CB-CB 4.3Å; H823-F830 HydrophobicContact CB-CD1 3.85Å; H823-F830 HydrophobicContact CB-CD2 3.87Å; H823-F830 HydrophobicContact CB-CE1 4.04Å; H823-F830 HydrophobicContact CB-CE2 4.07Å; H823-F830 HydrophobicContact CB-CG 3.75Å; H823-F830 HydrophobicContact CB-CZ 4.15Å; H823-F830 AromaticContact CG-CD2 3.83Å; H823-F830 AromaticContact CG-CG 3.99Å; H823-F830 AromaticContact ND1-CD2 3.25Å; H823-F830 VanDerWaalsContact ND1-CD2 3.25Å; H823-F830 WeakPolarHBondContact ND1-CD2 3.34Å; H823-F830 AromaticContact ND1-CE2 3.68Å; H823-F830 AromaticContact ND1-CG 3.86Å
824N93.5Very high91.4Very high77 Ų7784.9 Ų84.941%0.41245%0.447SS..EExtended strand (participates in β ladder)trans-134.2117.9161.7-174.446.9000109.4E807 Y808 R809E807-N824 PolarHBondContact OE1-OD1 2.64Å; E807-N824 PolarHBondContact OE2-ND2 3.23Å; E807-N824 PolarHBondContact OE2-OD1 2.93Å; Y808-N824 VanDerWaalsContact O-CA 3.3Å; Y808-N824 WeakPolarHBondContact O-CA 3.44Å; Y808-N824 PolarHBondContact O-OD1 2.82Å; R809-N824 HydrophobicContact CG-CB 4.36Å; R809-N824 WeakPolarHBondContact CG-OD1 3.06Å
825G90.9Very high91.4Very high17 Ų1779.6 Ų79.618%0.17542%0.423CS..EExtended strand (participates in β ladder)trans-177.2-174.2-172.600000113.7E807 Y808 H823E807-G825 CarbonylContact C-O 3.54Å; E807-G825 VanDerWaalsContact CA-O 3.29Å; E807-G825 WeakPolarHBondContact CA-O 3.12Å; Y808-G825 PolarHBondContact N-O 2.93Å; Y808-G825 PolarHBondContact O-N 2.89Å; Y808-G825 VanDerWaalsContact O-N 3.16Å; H823-G825 WeakPolarHBondContact NE2-CA 3.49Å; H823-G825 PolarHBondContact NE2-N 3.01Å
826T91.8Very high91.2Very high104 Ų10478.6 Ų78.664%0.63842%0.423SS*.SBendtrans-97.4-2.3177.847.80000113.7S806S806-T826 VanDerWaalsContact O-CG2 3.29Å; S806-T826 WeakPolarHBondContact O-CG2 3.4Å
827D91.6Very high90.9Very high91 Ų9173.6 Ų73.649%0.48740%0.403SS..  trans-69.9156.4-177.1-55.1-72.9000112.1W795 Y808 H823W795-D827 WeakPolarHBondContact CZ2-O 3.47Å; W795-D827 PolarHBondContact NE1-O 2.73Å; W795-D827 VanDerWaalsContact NE1-O 3.16Å; Y808-D827 VanDerWaalsContact CD2-O 3.29Å; Y808-D827 WeakPolarHBondContact CD2-O 3.32Å; H823-D827 IonicContact CE1-OD2 3.12Å
828T92.3Very high90.7Very high75 Ų7565 Ų6546%0.4637%0.365SS..SBendtrans-103.210.5176.9570000113.1W795W795-T828 PolarHBondContact N-O 3.01Å
829C92.1Very high90.5Very high61 Ų6163.9 Ų63.941%0.41236%0.359SS..EExtended strand (participates in β ladder)trans-160.5153.1175.759.80000111.7L792 V793L792-C829 HydrophobicContact CD1-CB 4.05Å; V793-C829 CarbonylContact O-C 3.6Å; V793-C829 WeakPolarHBondContact O-CA 3.15Å; V793-C829 VanDerWaalsContact O-CB 3.29Å; V793-C829 WeakPolarHBondContact O-CB 3.47Å
830F94.8Very high90.3Very high61 Ų6168.3 Ų68.327%0.26838%0.379SS..EExtended strand (participates in β ladder)trans-147.6133.7178.7-173.5-110.3000110.6V793 W795 L810 V822 H823 I832V793-F830 PolarHBondContact N-O 2.04Å; V793-F830 PolarHBondContact O-N 2.68Å; W795-F830 HydrophobicContact CH2-CB 3.85Å; W795-F830 HydrophobicContact CZ3-CB 4.12Å; L810-F830 HydrophobicContact CD2-CB 4.26Å; L810-F830 HydrophobicContact CD2-CD1 4.16Å; V822-F830 HydrophobicContact CB-CE1 4.17Å; V822-F830 HydrophobicContact CG2-CD1 4.45Å; V822-F830 HydrophobicContact CG2-CE1 4.23Å; V822-F830 WeakPolarHBondContact O-CZ 3.14Å; H823-F830 HydrophobicContact CB-CB 4.3Å; H823-F830 HydrophobicContact CB-CD1 3.85Å; H823-F830 HydrophobicContact CB-CD2 3.87Å; H823-F830 HydrophobicContact CB-CE1 4.04Å; H823-F830 HydrophobicContact CB-CE2 4.07Å; H823-F830 HydrophobicContact CB-CG 3.75Å; H823-F830 HydrophobicContact CB-CZ 4.15Å; H823-F830 AromaticContact CG-CD2 3.83Å; H823-F830 AromaticContact CG-CG 3.99Å; H823-F830 AromaticContact ND1-CD2 3.25Å; H823-F830 VanDerWaalsContact ND1-CD2 3.25Å; H823-F830 WeakPolarHBondContact ND1-CD2 3.34Å; H823-F830 AromaticContact ND1-CE2 3.68Å; H823-F830 AromaticContact ND1-CG 3.86Å; F830-I832 HydrophobicContact CD1-CD1 4.39Å; F830-I832 HydrophobicContact CD1-CG1 3.7Å; F830-I832 HydrophobicContact CE1-CG1 3.9Å
831E94.2Very high90.4Very high104 Ų10462 Ų6249%0.48635%0.349SS..EExtended strand (participates in β ladder)trans-91.7131.5174.5-176.3175.4178.200110.1L786 S790 L792L786-E831 VanDerWaalsContact CD1-CD 3.46Å; L786-E831 HydrophobicContact CD1-CG 3.97Å; L786-E831 WeakPolarHBondContact CD1-OE1 3.29Å; S790-E831 PolarHBondContact OG-OE1 2.88Å; L792-E831 HydrophobicContact CD1-CB 4.35Å
832I92.9Very high90.4Very high16 Ų1657.7 Ų57.78%0.08233%0.326CS..EExtended strand (participates in β ladder)trans-114125.4176.3-56.5174.5000107.3S790 V791 V793 L810 W812 V822 F830 L835S790-I832 CarbonylContact C-O 3.55Å; S790-I832 WeakPolarHBondContact CA-O 3.18Å; S790-I832 VanDerWaalsContact CB-O 3.24Å; S790-I832 WeakPolarHBondContact CB-O 3.47Å; V791-I832 PolarHBondContact N-O 2.98Å; V791-I832 PolarHBondContact O-N 2.9Å; V793-I832 HydrophobicContact CG2-CD1 3.7Å; V793-I832 HydrophobicContact CG2-CG1 4.26Å; L810-I832 HydrophobicContact CD2-CD1 4.23Å; W812-I832 HydrophobicContact CB-CD1 4.03Å; W812-I832 HydrophobicContact CD2-CD1 3.48Å; W812-I832 VanDerWaalsContact CD2-CD1 3.48Å; W812-I832 HydrophobicContact CD2-CG2 4.48Å; W812-I832 HydrophobicContact CE3-CD1 3.32Å; W812-I832 HydrophobicContact CG-CD1 3.8Å; W812-I832 HydrophobicContact CZ3-CD1 3.99Å; V822-I832 HydrophobicContact CG2-CD1 3.98Å; F830-I832 HydrophobicContact CD1-CD1 4.39Å; F830-I832 HydrophobicContact CD1-CG1 3.7Å; F830-I832 HydrophobicContact CE1-CG1 3.9Å; I832-L835 HydrophobicContact CB-CD1 4.4Å; I832-L835 HydrophobicContact CG2-CD1 4.01Å; I832-L835 HydrophobicContact CG2-CD2 3.87Å; I832-L835 HydrophobicContact CG2-CG 4.1Å
833S90.8Very high90.4Very high73 Ų7355.1 Ų55.151%0.5131%0.31SS..  trans-123.3176.5-174.7610000112T789 L835T789-S833 CarbonylContact O-C 3.5Å; S833-L835 PolarHBondContact O-N 2.86Å
834E87.3Confident90.5Very high189 Ų18957 Ų5788%0.88332%0.317SS*.SBendtrans62.827.8-179.4-51.5-171.3170.600113.3T789T789-E834 PolarHBondContact O-N 3.27Å; T789-E834 VanDerWaalsContact O-N 3.11Å
835L89.3Confident90.6Very high14 Ų1453.4 Ų53.47%0.07330%0.297CS..PPolyproline II helixtrans-81.8151.9178.6-62.1170.7000112.1T789 V791 W812 I832 S833 Y841 L864T789-L835 WeakPolarHBondContact CA-O 3.27Å; T789-L835 WeakPolarHBondContact CG2-O 3.49Å; T789-L835 WeakPolarHBondContact O-CB 3.5Å; T789-L835 PolarHBondContact O-N 2.83Å; V791-L835 HydrophobicContact CB-CD1 4.25Å; V791-L835 HydrophobicContact CG2-CD1 3.89Å; W812-L835 HydrophobicContact CH2-CD1 4.31Å; W812-L835 HydrophobicContact CZ2-CD1 3.68Å; W812-L835 HydrophobicContact CZ2-CD2 3.91Å; W812-L835 HydrophobicContact CZ2-CG 4.47Å; I832-L835 HydrophobicContact CB-CD1 4.4Å; I832-L835 HydrophobicContact CG2-CD1 4.01Å; I832-L835 HydrophobicContact CG2-CD2 3.87Å; I832-L835 HydrophobicContact CG2-CG 4.1Å; S833-L835 PolarHBondContact O-N 2.86Å; L835-Y841 HydrophobicContact CB-CE2 4.05Å; L835-Y841 HydrophobicContact CD2-CD1 4.36Å; L835-Y841 HydrophobicContact CD2-CD2 4.44Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 4Å; L835-L864 HydrophobicContact CB-CD2 3.62Å; L835-L864 HydrophobicContact CD1-CD1 4.3Å; L835-L864 HydrophobicContact CD1-CD2 3.97Å; L835-L864 HydrophobicContact CG-CD2 4.47Å
836S84.6Confident90.8Very high64 Ų6453.2 Ų53.245%0.44829%0.292SS..PPolyproline II helixtrans-76.7126.2177.2-64.60000111.9A839 Y841S836-A839 WeakPolarHBondContact O-CB 3.37Å; S836-A839 PolarHBondContact O-N 2.81Å; S836-Y841 WeakPolarHBondContact CB-OH 3.46Å; S836-Y841 PolarHBondContact N-OH 2.95Å
837A82.9Confident90.9Very high19 Ų1948.3 Ų48.316%0.15726%0.262CS..THydrogen-bonded Turntrans-59.7140.6175.800000111.7D788 A839 S867 N904D788-A837 HydrophobicContact CB-CB 4.27Å; D788-A837 VanDerWaalsContact O-CA 3.32Å; D788-A837 WeakPolarHBondContact O-CA 3.29Å; A837-A839 PolarHBondContact O-N 3.38Å; A837-S867 WeakPolarHBondContact CB-OG 3.39Å; A837-N904 HydrophobicContact CB-CB 4.17Å
838A81.3Confident90.9Very high14 Ų1444.5 Ų44.512%0.11624%0.242CC..THydrogen-bonded Turntrans52.68.4-172.100000117.3K863 L864 P865 A866 N904 G905A838-K863 WeakPolarHBondContact O-CE 3.38Å; A838-L864 WeakPolarHBondContact CA-O 3.41Å; A838-P865 PolarHBondContact N-O 2.99Å; A838-A866 HydrophobicContact CB-CB 4.27Å; A838-N904 WeakPolarHBondContact CB-O 3.46Å; A838-G905 VanDerWaalsContact CB-CA 3.49Å
839A85.9Confident90.8Very high25 Ų2541.1 Ų41.121%0.20722%0.221CC..  trans-72.5158.8170.700000111.2S836 A837 Y841 K863 L864S836-A839 WeakPolarHBondContact O-CB 3.37Å; S836-A839 PolarHBondContact O-N 2.81Å; A837-A839 PolarHBondContact O-N 3.38Å; A839-Y841 HydrophobicContact CB-CD2 4.39Å; A839-Y841 HydrophobicContact CB-CE2 3.69Å; A839-K863 WeakPolarHBondContact O-CA 3.44Å; A839-K863 WeakPolarHBondContact O-CG 3.44Å; A839-L864 PolarHBondContact O-N 3.26Å; A839-L864 VanDerWaalsContact O-N 3.16Å
840H89Confident90.6Very high117 Ų11747.2 Ų47.254%0.54224%0.244SC..EExtended strand (participates in β ladder)trans-94140.7170.2-74.2-101.7000109.1C862 K863H840-C862 WeakPolarHBondContact CA-O 3.45Å; H840-K863 WeakPolarHBondContact NE2-CD 3.47Å; H840-K863 WeakPolarHBondContact NE2-CE 3.2Å
841Y92.8Very high90.2Very high16 Ų1646.6 Ų46.66%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-138.4157.9173.7-66.6-83000109.9W812 G813 E814 L835 S836 A839 T861 C862 L864W812-Y841 AromaticContact CE2-CD1 3.83Å; W812-Y841 AromaticContact CE2-CG 3.74Å; W812-Y841 HydrophobicContact CH2-CG 4.49Å; W812-Y841 HydrophobicContact CZ2-CD1 4.03Å; W812-Y841 AromaticContact CZ2-CD2 3.87Å; W812-Y841 HydrophobicContact CZ2-CD2 3.87Å; W812-Y841 AromaticContact CZ2-CG 3.47Å; W812-Y841 HydrophobicContact CZ2-CG 3.47Å; W812-Y841 VanDerWaalsContact CZ2-CG 3.47Å; W812-Y841 AromaticContact NE1-CD1 3.25Å; W812-Y841 AromaticContact NE1-CE1 3.86Å; W812-Y841 AromaticContact NE1-CG 3.67Å; G813-Y841 CarbonylContact O-C 3.58Å; G813-Y841 VanDerWaalsContact O-CA 3.29Å; G813-Y841 WeakPolarHBondContact O-CA 3.15Å; G813-Y841 WeakPolarHBondContact O-CB 3.16Å; G813-Y841 WeakPolarHBondContact O-CD1 3.44Å; E814-Y841 HydrophobicContact CG-CD1 3.97Å; E814-Y841 HydrophobicContact CG-CE1 3.62Å; L835-Y841 HydrophobicContact CB-CE2 4.05Å; L835-Y841 HydrophobicContact CD2-CD1 4.36Å; L835-Y841 HydrophobicContact CD2-CD2 4.44Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 4Å; S836-Y841 WeakPolarHBondContact CB-OH 3.46Å; S836-Y841 PolarHBondContact N-OH 2.95Å; A839-Y841 HydrophobicContact CB-CD2 4.39Å; A839-Y841 HydrophobicContact CB-CE2 3.69Å; Y841-T861 CarbonylContact O-C 3.55Å; Y841-T861 WeakPolarHBondContact O-CA 3.39Å; Y841-C862 PolarHBondContact N-O 2.87Å; Y841-C862 PolarHBondContact O-N 3.42Å; Y841-L864 HydrophobicContact CD2-CD1 3.54Å; Y841-L864 HydrophobicContact CE2-CD1 3.87Å
842C93.7Very high89.8Confident3 Ų342.9 Ų42.92%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-131156.5172.475.50000111.6W812 G813 D815 L859 V860 T861W812-C842 WeakPolarHBondContact CA-O 3.34Å; G813-C842 PolarHBondContact N-O 2.87Å; G813-C842 PolarHBondContact O-N 3Å; D815-C842 PolarHBondContact O-SG 3.15Å; C842-L859 HydrophobicContact CB-CD1 3.97Å; C842-L859 HydrophobicContact CB-CD2 4.1Å; C842-L859 HydrophobicContact CB-CG 4Å; C842-V860 CarbonylContact C-O 3.51Å; C842-V860 VanDerWaalsContact CA-O 3.24Å; C842-V860 WeakPolarHBondContact CA-O 3.47Å; C842-T861 HydrophobicContact CB-CG2 3.85Å
843C94.4Very high89.7Confident0 Ų044.2 Ų44.20%025%0.252CS..EExtended strand (participates in β ladder)trans-150155.2177.467.10000112.7L810 E811 W812 V860L810-C843 HydrophobicContact CD1-CB 4.27Å; E811-C843 CarbonylContact O-C 3.56Å; E811-C843 WeakPolarHBondContact O-CA 3.25Å; E811-C843 WeakPolarHBondContact O-CB 3.44Å; W812-C843 HydrophobicContact CD2-CB 4.39Å; W812-C843 HydrophobicContact CE3-CB 3.57Å; W812-C843 HydrophobicContact CZ3-CB 4.2Å; C843-V860 PolarHBondContact N-O 3Å; C843-V860 PolarHBondContact O-N 2.79Å
844R94.8Very high89.6Confident58 Ų5841 Ų4122%0.21923%0.231CC..EExtended strand (participates in β ladder)trans-146.5149.6175.362.5177.2-173.7-141.8-8.6110.9E811 L819 Y856 L859E811-R844 HydrophobicContact CB-CG 4.15Å; E811-R844 PolarHBondContact N-O 2.9Å; E811-R844 PolarHBondContact O-N 2.81Å; E811-R844 IonicContact OE2-CZ 2.87Å; E811-R844 IonicContact OE2-NE 2.71Å; E811-R844 PolarHBondContact OE2-NE 2.81Å; E811-R844 IonicContact OE2-NH2 2.68Å; E811-R844 PolarHBondContact OE2-NH2 3.1Å; L819-R844 HydrophobicContact CD1-CG 4.16Å; L819-R844 VanDerWaalsContact CD1-CZ 3.48Å; R844-Y856 HydrophobicContact CB-CD1 4.26Å; R844-Y856 HydrophobicContact CG-CD1 3.64Å; R844-Y856 HydrophobicContact CG-CE1 4.22Å; R844-Y856 HydrophobicContact CG-CG 4.18Å; R844-L859 HydrophobicContact CB-CD1 4.24Å
845L95.3Very high89.9Confident0 Ų035.6 Ų35.60%021%0.212CC..EExtended strand (participates in β ladder)trans-127.3130.8-171.9-17879.5000110.7C778 P781 W795 R809 L810 Y856 S857C778-L845 HydrophobicContact CB-CB 4.34Å; C778-L845 HydrophobicContact CB-CD2 3.96Å; C778-L845 HydrophobicContact CB-CG 4.27Å; C778-L845 WeakPolarHBondContact CB-O 3.31Å; P781-L845 HydrophobicContact CG-CB 4.45Å; W795-L845 HydrophobicContact CB-CD2 3.4Å; W795-L845 HydrophobicContact CD2-CD1 3.93Å; W795-L845 HydrophobicContact CD2-CD2 3.64Å; W795-L845 HydrophobicContact CD2-CG 4.46Å; W795-L845 HydrophobicContact CE3-CD1 4.2Å; W795-L845 HydrophobicContact CE3-CD2 4.28Å; W795-L845 HydrophobicContact CG-CD1 4.4Å; W795-L845 HydrophobicContact CG-CD2 3.25Å; W795-L845 HydrophobicContact CG-CG 4.46Å; W795-L845 HydrophobicContact CH2-CD1 4.35Å; W795-L845 HydrophobicContact CZ2-CD1 4.08Å; W795-L845 HydrophobicContact CZ3-CD1 4.41Å; R809-L845 WeakPolarHBondContact O-CA 3.37Å; L810-L845 HydrophobicContact CB-CD1 3.92Å; L810-L845 HydrophobicContact CD1-CB 4.38Å; L810-L845 HydrophobicContact CD1-CD1 4.17Å; L845-Y856 CarbonylContact O-C 3.55Å; L845-Y856 WeakPolarHBondContact O-CA 3.08Å; L845-S857 PolarHBondContact N-OG 2.8Å; L845-S857 PolarHBondContact O-N 2.64Å
846Q94.4Very high90Very high14 Ų1438.3 Ų38.37%0.06522%0.222CC..EExtended strand (participates in β ladder)trans-118.6145.4167.863.4-176.5-26.300110.9Y808 R809 G854 Y856Y808-Q846 WeakPolarHBondContact CA-O 3.24Å; R809-Q846 HydrophobicContact CB-CG 3.74Å; R809-Q846 PolarHBondContact N-O 2.6Å; R809-Q846 PolarHBondContact O-N 3.19Å; Q846-G854 PolarHBondContact OE1-O 3.34Å; Q846-Y856 HydrophobicContact CB-CD1 3.81Å; Q846-Y856 HydrophobicContact CB-CE1 4.19Å; Q846-Y856 HydrophobicContact CB-CG 4.03Å; Q846-Y856 HydrophobicContact CG-CD1 3.91Å; Q846-Y856 HydrophobicContact CG-CE1 3.75Å; Q846-Y856 HydrophobicContact CG-CG 4.48Å; Q846-Y856 PolarHBondContact NE2-OH 2.92Å
847A93.9Very high90.5Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-99.3149.2169.900000110.5P775 C778 P798 I805 Y808 G854P775-A847 HydrophobicContact CB-CB 3.86Å; P775-A847 HydrophobicContact CG-CB 4.07Å; C778-A847 PolarHBondContact SG-N 2.85Å; C778-A847 VanDerWaalsContact SG-N 3.41Å; P798-A847 HydrophobicContact CG-CB 3.65Å; I805-A847 HydrophobicContact CD1-CB 4.08Å; I805-A847 HydrophobicContact CG1-CB 4.48Å; I805-A847 HydrophobicContact CG2-CB 4.07Å; Y808-A847 HydrophobicContact CD1-CB 3.88Å; Y808-A847 HydrophobicContact CE1-CB 3.84Å; A847-G854 PolarHBondContact O-N 2.77Å
848V92.2Very high90.9Very high11 Ų1139.4 Ų39.47%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-129.5139.4-176.6-170.70000109.2I805 S806 E807 R809 G852 A853I805-V848 CarbonylContact C-O 3.56Å; I805-V848 WeakPolarHBondContact CG2-O 3.42Å; S806-V848 PolarHBondContact N-O 3.04Å; S806-V848 PolarHBondContact OG-O 3.07Å; S806-V848 VanDerWaalsContact OG-O 3.11Å; E807-V848 HydrophobicContact CG-CB 3.63Å; E807-V848 HydrophobicContact CG-CG1 4.18Å; E807-V848 HydrophobicContact CG-CG2 3.88Å; E807-V848 PolarHBondContact N-O 3.32Å; E807-V848 PolarHBondContact O-N 3.23Å; R809-V848 HydrophobicContact CG-CG2 4.38Å; V848-G852 WeakPolarHBondContact CA-O 3.39Å; V848-A853 HydrophobicContact CG1-CB 4.42Å; V848-A853 HydrophobicContact CG2-CB 3.97Å
849N90.9Very high91.5Very high5 Ų541.7 Ų41.73%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-131.9-173.416970.910.8000110.9G773 P775 A803 D804 S806 A851 G852G773-N849 PolarHBondContact O-ND2 3.08Å; G773-N849 PolarHBondContact O-OD1 2.88Å; P775-N849 HydrophobicContact CG-CB 3.94Å; A803-N849 PolarHBondContact O-ND2 2.9Å; A803-N849 VanDerWaalsContact O-ND2 3.14Å; D804-N849 WeakPolarHBondContact O-CB 3.49Å; S806-N849 WeakPolarHBondContact OG-CA 3.46Å; N849-A851 PolarHBondContact O-N 2.87Å; N849-A851 VanDerWaalsContact O-N 3.08Å; N849-A851 WeakPolarHBondContact OD1-CA 3.37Å; N849-A851 WeakPolarHBondContact OD1-CB 3.36Å; N849-A851 PolarHBondContact OD1-N 2.8Å; N849-G852 PolarHBondContact N-O 3.05Å; N849-G852 PolarHBondContact O-N 3.27Å; N849-G852 PolarHBondContact OD1-N 2.75Å; N849-G852 PolarHBondContact OD1-O 2.7Å
850Q87.3Confident91.8Very high189 Ų18941.8 Ų41.888%0.88323%0.228SC*.THydrogen-bonded Turntrans-56.7-24179.2-172.2177.60.300114.3
851A85.3Confident92Very high47 Ų4741.1 Ų41.139%0.38823%0.233SC..THydrogen-bonded Turntrans-88.2-10.3177.500000113.8A772 G773 N849A772-A851 HydrophobicContact CB-CB 4.26Å; A772-A851 VanDerWaalsContact O-CB 3.3Å; A772-A851 WeakPolarHBondContact O-CB 3.31Å; G773-A851 VanDerWaalsContact C-CB 3.47Å; N849-A851 PolarHBondContact O-N 2.87Å; N849-A851 VanDerWaalsContact O-N 3.08Å; N849-A851 WeakPolarHBondContact OD1-CA 3.37Å; N849-A851 WeakPolarHBondContact OD1-CB 3.36Å; N849-A851 PolarHBondContact OD1-N 2.8Å
852G87.1Confident91.7Very high27 Ų2741 Ų4128%0.27823%0.234SC..EExtended strand (participates in β ladder)trans134.5-172.6174.800000114P775 V848 N849P775-G852 WeakPolarHBondContact CD-O 3.48Å; V848-G852 WeakPolarHBondContact CA-O 3.39Å; N849-G852 PolarHBondContact N-O 3.05Å; N849-G852 PolarHBondContact O-N 3.27Å; N849-G852 PolarHBondContact OD1-N 2.75Å; N849-G852 PolarHBondContact OD1-O 2.7Å
853A89.8Confident91.4Very high43 Ų4346 Ų4636%0.35526%0.255SS..EExtended strand (participates in β ladder)trans-80132.7172.700000110.8P774 V848P774-A853 WeakPolarHBondContact CB-O 3.26Å; V848-A853 HydrophobicContact CG1-CB 4.42Å; V848-A853 HydrophobicContact CG2-CB 3.97Å
854G90.3Very high91Very high5 Ų546.1 Ų46.15%0.05226%0.256CS..PPolyproline II helixtrans-74.1172.8167.100000111.4P775 Q846 A847P775-G854 WeakPolarHBondContact O-CA 3.33Å; Q846-G854 PolarHBondContact OE1-O 3.34Å; A847-G854 PolarHBondContact O-N 2.77Å
855P92.4Very high90.5Very high76 Ų7646.3 Ų46.349%0.49427%0.265SS..PPolyproline II helixtrans-67.9147.8174.229.1-32.8000111.3Q777Q777-P855 HydrophobicContact CB-CG 3.83Å; Q777-P855 HydrophobicContact CG-CB 4.39Å; Q777-P855 HydrophobicContact CG-CG 4.03Å
856Y92.7Very high90Very high71 Ų7147.8 Ų47.828%0.27828%0.278SS..PPolyproline II helixtrans-60.6149.1171.1-63.6-93.9000111.7Q777 E811 R844 L845 Q846Q777-Y856 WeakPolarHBondContact CG-O 3.41Å; Q777-Y856 PolarHBondContact NE2-O 3.33Å; E811-Y856 HydrophobicContact CG-CE1 4.3Å; E811-Y856 VanDerWaalsContact OE1-CE1 3.28Å; E811-Y856 WeakPolarHBondContact OE1-CE1 3.43Å; E811-Y856 VanDerWaalsContact OE1-CZ 3.27Å; E811-Y856 PolarHBondContact OE1-OH 3.18Å; E811-Y856 VanDerWaalsContact OE2-CE1 3.25Å; E811-Y856 WeakPolarHBondContact OE2-CE1 3.32Å; E811-Y856 PolarHBondContact OE2-OH 2.99Å; R844-Y856 HydrophobicContact CB-CD1 4.26Å; R844-Y856 HydrophobicContact CG-CD1 3.64Å; R844-Y856 HydrophobicContact CG-CE1 4.22Å; R844-Y856 HydrophobicContact CG-CG 4.18Å; L845-Y856 CarbonylContact O-C 3.55Å; L845-Y856 WeakPolarHBondContact O-CA 3.08Å; Q846-Y856 HydrophobicContact CB-CD1 3.81Å; Q846-Y856 HydrophobicContact CB-CE1 4.19Å; Q846-Y856 HydrophobicContact CB-CG 4.03Å; Q846-Y856 HydrophobicContact CG-CD1 3.91Å; Q846-Y856 HydrophobicContact CG-CE1 3.75Å; Q846-Y856 HydrophobicContact CG-CG 4.48Å; Q846-Y856 PolarHBondContact NE2-OH 2.92Å
857S94.3Very high89.6Confident6 Ų647.6 Ų47.64%0.04228%0.277CS..PPolyproline II helixtrans-53.7159.4164.8700000111.4C778 L845C778-S857 WeakPolarHBondContact O-CA 3.49Å; C778-S857 VanDerWaalsContact O-CB 3.24Å; C778-S857 WeakPolarHBondContact O-CB 3.33Å; L845-S857 PolarHBondContact N-OG 2.8Å; L845-S857 PolarHBondContact O-N 2.64Å
858D92.3Very high89.3Confident101 Ų10150 Ų5054%0.5429%0.292SS..PPolyproline II helixtrans-55.6147.8164.6-51.6-30.2000109.9Q777 P780 V860Q777-D858 PolarHBondContact NE2-OD1 2.86Å; P780-D858 HydrophobicContact CG-CB 4.26Å; D858-V860 PolarHBondContact O-N 3.2Å
859L92.3Very high89.1Confident61 Ų6149.5 Ų49.532%0.31929%0.289SS..  trans-69.9115.6-174-17172.8000110.9E816 L819 C842 R844 T861E816-L859 HydrophobicContact CB-CD2 4.08Å; E816-L859 HydrophobicContact CG-CD2 4.1Å; L819-L859 HydrophobicContact CD1-CD1 3.92Å; C842-L859 HydrophobicContact CB-CD1 3.97Å; C842-L859 HydrophobicContact CB-CD2 4.1Å; C842-L859 HydrophobicContact CB-CG 4Å; R844-L859 HydrophobicContact CB-CD1 4.24Å; L859-T861 HydrophobicContact CD2-CG2 4.43Å
860V93.2Very high89Confident27 Ų2752.9 Ų52.916%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-89.2117.3174.5-179.30000108.6P780 P781 L783 C842 C843 D858P780-V860 HydrophobicContact CB-CG2 3.47Å; P780-V860 VanDerWaalsContact CB-CG2 3.47Å; P781-V860 HydrophobicContact CG-CB 4.5Å; P781-V860 HydrophobicContact CG-CG2 4.03Å; L783-V860 HydrophobicContact CD1-CG1 3.52Å; L783-V860 HydrophobicContact CG-CG1 4.02Å; C842-V860 CarbonylContact C-O 3.51Å; C842-V860 VanDerWaalsContact CA-O 3.24Å; C842-V860 WeakPolarHBondContact CA-O 3.47Å; C843-V860 PolarHBondContact N-O 3Å; C843-V860 PolarHBondContact O-N 2.79Å; D858-V860 PolarHBondContact O-N 3.2Å
861T91.9Very high89Confident104 Ų10445.9 Ų45.964%0.63828%0.282SS*.EExtended strand (participates in β ladder)trans-98.4146.6171.255.10000110.5Y841 C842 L859Y841-T861 CarbonylContact O-C 3.55Å; Y841-T861 WeakPolarHBondContact O-CA 3.39Å; C842-T861 HydrophobicContact CB-CG2 3.85Å; L859-T861 HydrophobicContact CD2-CG2 4.43Å
862C87.5Confident89.3Confident14 Ų1443.8 Ų43.810%0.09526%0.264CS..EExtended strand (participates in β ladder)trans-142.1167.7175.275.20000110.9L783 F785 H840 Y841L783-C862 HydrophobicContact CD1-CB 3.55Å; F785-C862 HydrophobicContact CE1-CB 4.36Å; F785-C862 HydrophobicContact CZ-CB 4.15Å; H840-C862 WeakPolarHBondContact CA-O 3.45Å; Y841-C862 PolarHBondContact N-O 2.87Å; Y841-C862 PolarHBondContact O-N 3.42Å
863K87.2Confident89.2Confident106 Ų10647.9 Ų47.946%0.46129%0.289SS..EExtended strand (participates in β ladder)trans-131.4130.1167.4-167.1-171.9-171.1168.70107.3F785 A838 A839 H840F785-K863 VanDerWaalsContact CE1-O 3.32Å; F785-K863 WeakPolarHBondContact CE1-O 3.37Å; F785-K863 WeakPolarHBondContact CZ-O 3.45Å; A838-K863 WeakPolarHBondContact O-CE 3.38Å; A839-K863 WeakPolarHBondContact O-CA 3.44Å; A839-K863 WeakPolarHBondContact O-CG 3.44Å; H840-K863 WeakPolarHBondContact NE2-CD 3.47Å; H840-K863 WeakPolarHBondContact NE2-CE 3.2Å
864L86.9Confident89.1Confident4 Ų447.4 Ų47.42%0.02128%0.283CS..PPolyproline II helixtrans-68.9156.7174.4-83.675.7000110F785 D788 V791 L835 A838 A839 Y841F785-L864 HydrophobicContact CD1-CG 4.24Å; F785-L864 HydrophobicContact CE1-CG 4.35Å; D788-L864 VanDerWaalsContact O-CD2 3.3Å; D788-L864 WeakPolarHBondContact O-CD2 3.39Å; V791-L864 HydrophobicContact CG2-CD1 3.98Å; V791-L864 HydrophobicContact CG2-CD2 4.21Å; V791-L864 HydrophobicContact CG2-CG 4.02Å; L835-L864 HydrophobicContact CB-CD2 3.62Å; L835-L864 HydrophobicContact CD1-CD1 4.3Å; L835-L864 HydrophobicContact CD1-CD2 3.97Å; L835-L864 HydrophobicContact CG-CD2 4.47Å; A838-L864 WeakPolarHBondContact CA-O 3.41Å; A839-L864 PolarHBondContact O-N 3.26Å; A839-L864 VanDerWaalsContact O-N 3.16Å; Y841-L864 HydrophobicContact CD2-CD1 3.54Å; Y841-L864 HydrophobicContact CE2-CD1 3.87Å
865P84.2Confident89.1Confident61 Ų6148 Ų4840%0.39628%0.284SS..PPolyproline II helixtrans-62.8156.2173.326.9-32.7000110.9D788 A838D788-P865 HydrophobicContact CB-CG 4.46Å; A838-P865 PolarHBondContact N-O 2.99Å
866A84.2Confident88.9Confident32 Ų3246.6 Ų46.626%0.26428%0.276SS..PPolyproline II helixtrans-74.4147.5170.200000110.6A838 N904 A906 I949A838-A866 HydrophobicContact CB-CB 4.27Å; A866-N904 VanDerWaalsContact CA-O 3.29Å; A866-N904 WeakPolarHBondContact CA-O 3.42Å; A866-N904 WeakPolarHBondContact CB-O 3.32Å; A866-A906 HydrophobicContact CB-CB 4.19Å; A866-I949 HydrophobicContact CB-CD1 4.47Å; A866-I949 HydrophobicContact CB-CG1 4.39Å
867S86.3Confident88.5Confident9 Ų945.4 Ų45.46%0.06328%0.276CS..  trans-118.3-174.4-179.470.10000112D788 A837 N904 N947D788-S867 WeakPolarHBondContact OD2-CB 3.38Å; A837-S867 WeakPolarHBondContact CB-OG 3.39Å; S867-N904 PolarHBondContact N-O 2.93Å; S867-N904 WeakPolarHBondContact OG-CB 3.3Å; S867-N947 PolarHBondContact O-ND2 2.81Å
868V86.4Confident88Confident52 Ų5249 Ų4932%0.31529%0.294SS..PPolyproline II helixtrans-70156.2171.7-62.50000110.7N904 I949V868-N904 PolarHBondContact O-ND2 2.92Å; V868-I949 HydrophobicContact CG1-CB 4.34Å; V868-I949 HydrophobicContact CG1-CG2 4.08Å
869P89.3Confident86.7Confident0 Ų052.3 Ų52.30%031%0.307CS..PPolyproline II helixtrans-67.1161.9-178.2-18.533.3000112.6C902 I908 A945 N947 G952 P953P869-C902 WeakPolarHBondContact CA-O 3.26Å; P869-I908 HydrophobicContact CB-CD1 4.05Å; P869-I908 HydrophobicContact CB-CG1 4.05Å; P869-I908 HydrophobicContact CG-CD1 4.41Å; P869-I908 HydrophobicContact CG-CG1 3.85Å; P869-A945 HydrophobicContact CB-CB 3.83Å; P869-A945 HydrophobicContact CG-CB 4.18Å; P869-N947 HydrophobicContact CG-CB 3.79Å; P869-G952 WeakPolarHBondContact O-CA 3.43Å; P869-P953 WeakPolarHBondContact O-CD 3.47Å
870D87.2Confident85Confident76 Ų7654 Ų5441%0.40632%0.316SS..PPolyproline II helixtrans-69.8164.1174.6-78-1.2000113.1V872 P901 C902 N904D870-V872 PolarHBondContact O-N 2.99Å; D870-P901 HydrophobicContact CB-CB 4.13Å; D870-P901 WeakPolarHBondContact O-CB 3.44Å; D870-P901 WeakPolarHBondContact O-CG 3.35Å; D870-C902 HydrophobicContact CB-CB 4.15Å; D870-C902 PolarHBondContact N-O 2.72Å; D870-C902 WeakPolarHBondContact OD2-CB 3.28Å; D870-N904 PolarHBondContact OD1-ND2 3.05Å
871A88.5Confident83.1Confident42 Ų4261.2 Ų61.235%0.34735%0.348SS..PPolyproline II helixtrans-66.6130.9172.700000111.3S873 P953A871-S873 PolarHBondContact O-N 3.44Å; A871-S873 VanDerWaalsContact O-N 3.15Å; A871-P953 WeakPolarHBondContact CA-O 3.48Å; A871-P953 HydrophobicContact CB-CB 4.24Å; A871-P953 HydrophobicContact CB-CG 4.01Å
872V90.5Very high81.1Confident3 Ų366.4 Ų66.42%0.01836%0.356CS..  trans-63.1115175-178.30000109.8D870 W898 P901 Y911 I943 A945 S955D870-V872 PolarHBondContact O-N 2.99Å; V872-W898 HydrophobicContact CG1-CB 3.63Å; V872-W898 HydrophobicContact CG1-CG 3.99Å; V872-P901 HydrophobicContact CG2-CG 3.9Å; V872-Y911 HydrophobicContact CG2-CD1 4.07Å; V872-Y911 HydrophobicContact CG2-CE1 4Å; V872-I943 HydrophobicContact CB-CG2 3.59Å; V872-I943 HydrophobicContact CG1-CG2 3.71Å; V872-I943 HydrophobicContact CG2-CG2 3.87Å; V872-A945 HydrophobicContact CG2-CB 4.29Å; V872-S955 WeakPolarHBondContact O-CB 3.29Å
873S86.8Confident79.5Confident113 Ų11369.1 Ų69.179%0.7937%0.372SS*.  trans-91-26-173.157.60000114.1A871A871-S873 PolarHBondContact O-N 3.44Å; A871-S873 VanDerWaalsContact O-N 3.15Å
874S86.7Confident77.7Confident33 Ų3370.7 Ų70.723%0.23139%0.385CS..  trans-106.321.2-167.9500000115.5S876 E899S874-S876 PolarHBondContact O-N 3.45Å; S874-E899 VanDerWaalsContact CB-OE2 3.25Å; S874-E899 WeakPolarHBondContact CB-OE2 3.15Å; S874-E899 VanDerWaalsContact OG-CB 3.28Å; S874-E899 WeakPolarHBondContact OG-CB 3.32Å; S874-E899 PolarHBondContact OG-N 2.67Å; S874-E899 PolarHBondContact OG-OE2 2.91Å
875L90.1Very high75.9Confident17 Ų1774.8 Ų74.89%0.08942%0.42CS..  trans-59.3125177.6178.765.2000112.2L896 W898 I941 I943 I958L875-L896 HydrophobicContact CD1-CB 4.47Å; L875-W898 HydrophobicContact CD1-CB 4.5Å; L875-W898 HydrophobicContact CD1-CE3 3.94Å; L875-I941 HydrophobicContact CD2-CG2 4.4Å; L875-I943 HydrophobicContact CB-CG2 4.18Å; L875-I943 HydrophobicContact CD1-CG2 4.14Å; L875-I943 HydrophobicContact CD2-CB 4.23Å; L875-I943 HydrophobicContact CD2-CG2 3.89Å; L875-I943 HydrophobicContact CG-CG2 4.28Å; L875-I958 HydrophobicContact CD2-CD1 4.15Å; L875-I958 HydrophobicContact CD2-CG1 4.03Å; L875-I958 HydrophobicContact CG-CD1 3.91Å; L875-I958 HydrophobicContact CG-CG1 4.27Å
876S87.6Confident74.4Confident46 Ų4676.8 Ų76.832%0.32244%0.435SS..EExtended strand (participates in β ladder)trans-146.4170.9-174.459.80000112.5S874 L896 N897S874-S876 PolarHBondContact O-N 3.45Å; S876-L896 WeakPolarHBondContact O-CA 3.38Å; S876-N897 PolarHBondContact N-O 2.87Å; S876-N897 PolarHBondContact O-N 2.93Å; S876-N897 PolarHBondContact OG-O 2.98Å
877V85.5Confident73Confident47 Ų4783.7 Ų83.729%0.28546%0.462SS..EExtended strand (participates in β ladder)trans-111.2136173.1-169.20000108.8L894 V895 L896 I958 A960V877-L894 HydrophobicContact CG1-CD2 4.43Å; V877-V895 CarbonylContact C-O 3.49Å; V877-V895 WeakPolarHBondContact CA-O 3.38Å; V877-V895 WeakPolarHBondContact CG1-O 3.38Å; V877-L896 HydrophobicContact CG2-CD2 4.08Å; V877-I958 HydrophobicContact CG2-CD1 3.79Å; V877-A960 HydrophobicContact CG2-CB 3.97Å
878L82.4Confident72Confident80 Ų8086 Ų8642%0.41947%0.473SS..  trans-90.5125.2173-70171.9000110.6V895 N897 T927L878-V895 HydrophobicContact CB-CB 4.25Å; L878-V895 HydrophobicContact CB-CG1 4.16Å; L878-V895 HydrophobicContact CD1-CG1 4.05Å; L878-V895 PolarHBondContact N-O 2.85Å; L878-N897 HydrophobicContact CD1-CB 3.86Å; L878-N897 HydrophobicContact CD2-CB 4.42Å; L878-N897 HydrophobicContact CG-CB 3.88Å; L878-T927 HydrophobicContact CD1-CG2 4.06Å
879E66.6Low71.1Confident172 Ų17285.8 Ų85.880%0.80447%0.474SS*.  trans-103.9-3.3-178.2-58.9-168.7148.700114.4
880D55.7Low70.2Confident96 Ų9688.8 Ų88.851%0.51349%0.494SS..  trans-84.1146.6-167.8-162.81.3000113.7R882D880-R882 PolarHBondContact O-N 2.92Å; D880-R882 IonicContact OD1-NE 2.68Å; D880-R882 WeakPolarHBondContact OD2-CD 3.47Å; D880-R882 IonicContact OD2-CZ 2.93Å; D880-R882 IonicContact OD2-NE 3.81Å; D880-R882 PolarHBondContact OD2-NE 3.11Å; D880-R882 IonicContact OD2-NH2 2.67Å
881E53.5Low69.6Low179 Ų17985.5 Ų85.584%0.83648%0.476SS*.THydrogen-bonded Turntrans-74.720.6-174.4-59.2-170.9144.500113.9
882R50.3Low69.1Low213 Ų21385.9 Ų85.980%0.80447%0.474SS*.THydrogen-bonded Turntrans-100.2-3.6-167.1-63.1-172.1-162.2-151.61116D880D880-R882 PolarHBondContact O-N 2.92Å; D880-R882 IonicContact OD1-NE 2.68Å; D880-R882 WeakPolarHBondContact OD2-CD 3.47Å; D880-R882 IonicContact OD2-CZ 2.93Å; D880-R882 IonicContact OD2-NE 3.81Å; D880-R882 PolarHBondContact OD2-NE 3.11Å; D880-R882 IonicContact OD2-NH2 2.67Å
883V53.1Low68.7Low70 Ų7086.6 Ų86.642%0.42448%0.479SS..SBendtrans-88.3134.3167-164.60000107.6A885 I888V883-A885 PolarHBondContact O-N 2.89Å; V883-I888 HydrophobicContact CB-CD1 4.15Å; V883-I888 HydrophobicContact CG1-CD1 3.47Å; V883-I888 VanDerWaalsContact CG1-CD1 3.47Å
884D49.7Very low68.6Low139 Ų13981.9 Ų81.974%0.74345%0.445SS*.  trans-43.599.5-168.8-88.4-55.4000113.7S886 Q887D884-S886 PolarHBondContact O-N 2.84Å; D884-Q887 PolarHBondContact O-N 2.9Å
885A49.5Very low68.7Low90 Ų9081.1 Ų81.174%0.74444%0.439SS*.THydrogen-bonded Turntrans-72.420.3-16600000114.8V883V883-A885 PolarHBondContact O-N 2.89Å
886S53.2Low68.6Low103 Ų10380.3 Ų80.372%0.7244%0.435SS*.THydrogen-bonded Turntrans-99.5-12177.4650000114D884D884-S886 PolarHBondContact O-N 2.84Å
887Q53.5Low68.7Low178 Ų17880.3 Ų80.383%0.83243%0.431SS*.THydrogen-bonded Turntrans-132.4-18.7-176.8-63.2-167.71.500115.7D884D884-Q887 PolarHBondContact O-N 2.9Å
888I65.6Low69.1Low56 Ų5678.2 Ų78.229%0.28742%0.418SS..  trans-99.7118.8-179.9-55.5-177.6000109.9V883 C893 V929V883-I888 HydrophobicContact CB-CD1 4.15Å; V883-I888 HydrophobicContact CG1-CD1 3.47Å; V883-I888 VanDerWaalsContact CG1-CD1 3.47Å; I888-C893 HydrophobicContact CG2-CB 3.69Å; I888-V929 HydrophobicContact CD1-CG1 4.32Å; I888-V929 HydrophobicContact CD1-CG2 4.29Å
889S68.4Low69.4Low48 Ų4880.6 Ų80.634%0.33643%0.427SS..  trans-98.2121.1173.91700000110.4S891 V892 C893S889-S891 PolarHBondContact O-N 3.18Å; S889-S891 PolarHBondContact OG-N 2.8Å; S889-V892 PolarHBondContact O-N 3.27Å; S889-C893 PolarHBondContact O-N 2.86Å
890P69.6Low70.5Confident64 Ų6477.1 Ų77.142%0.41641%0.411SS..THydrogen-bonded Turntrans-69.2-3.4179.631.1-36.8000113.2R963P890-R963 HydrophobicContact CB-CG 4.16Å; P890-R963 PolarHBondContact O-N 2.9Å
891S74Confident72Confident6 Ų673.4 Ų73.44%0.04239%0.392CS..THydrogen-bonded Turntrans-82-17.8169.8-440000113S889 P935 R963 P964S889-S891 PolarHBondContact O-N 3.18Å; S889-S891 PolarHBondContact OG-N 2.8Å; S891-P935 WeakPolarHBondContact O-CA 3.36Å; S891-P935 WeakPolarHBondContact O-CG 3.42Å; S891-R963 WeakPolarHBondContact CA-O 3.26Å; S891-R963 WeakPolarHBondContact CB-O 3.43Å; S891-P964 WeakPolarHBondContact CB-O 3.4Å; S891-P964 PolarHBondContact OG-O 2.74Å
892V78.4Confident73.5Confident51 Ų5168.1 Ų68.131%0.30937%0.374SS..THydrogen-bonded Turntrans-138.73.5-175-60.30000114.9S889 G932 L933 P935S889-V892 PolarHBondContact O-N 3.27Å; V892-G932 PolarHBondContact O-N 2.79Å; V892-L933 VanDerWaalsContact CA-O 3.3Å; V892-L933 WeakPolarHBondContact CA-O 3.31Å; V892-L933 VanDerWaalsContact CB-O 3.29Å; V892-L933 WeakPolarHBondContact CB-O 3.45Å; V892-L933 WeakPolarHBondContact CG1-O 3.43Å; V892-L933 WeakPolarHBondContact O-CB 3.41Å; V892-L933 PolarHBondContact O-N 2.83Å; V892-P935 HydrophobicContact CG1-CG 4.01Å
893C82.3Confident75.1Confident17 Ų1761 Ų6112%0.11535%0.352CS..  trans-132156.4177.4-55.60000112.2I888 S889 V929 I930I888-C893 HydrophobicContact CG2-CB 3.69Å; S889-C893 PolarHBondContact O-N 2.86Å; C893-V929 HydrophobicContact CB-CG1 4.32Å; C893-I930 CarbonylContact C-O 3.58Å; C893-I930 WeakPolarHBondContact CA-O 3.49Å; C893-I930 WeakPolarHBondContact CB-O 3.43Å
894L85.8Confident76.6Confident15 Ų1558.8 Ų58.88%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-132140.5168.3-72.1173.8000109.6V877 V929 I930 L933 Y939 I941 A960 T962V877-L894 HydrophobicContact CG1-CD2 4.43Å; L894-V929 WeakPolarHBondContact O-CA 3.46Å; L894-I930 PolarHBondContact N-O 3.34Å; L894-I930 PolarHBondContact O-N 3.1Å; L894-L933 HydrophobicContact CB-CD1 3.94Å; L894-L933 HydrophobicContact CD1-CD1 3.64Å; L894-L933 HydrophobicContact CG-CD1 3.57Å; L894-Y939 HydrophobicContact CD1-CD2 4.15Å; L894-I941 HydrophobicContact CD1-CD1 4.1Å; L894-A960 HydrophobicContact CD1-CB 3.54Å; L894-A960 HydrophobicContact CD2-CB 4Å; L894-A960 HydrophobicContact CG-CB 4.42Å; L894-T962 HydrophobicContact CG-CG2 4.37Å
895V87.1Confident77.9Confident17 Ų1754.3 Ų54.310%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-107.8118.2176.3-171.80000108.9V877 L878 T927 V929V877-V895 CarbonylContact C-O 3.49Å; V877-V895 WeakPolarHBondContact CA-O 3.38Å; V877-V895 WeakPolarHBondContact CG1-O 3.38Å; L878-V895 HydrophobicContact CB-CB 4.25Å; L878-V895 HydrophobicContact CB-CG1 4.16Å; L878-V895 HydrophobicContact CD1-CG1 4.05Å; L878-V895 PolarHBondContact N-O 2.85Å; V895-T927 HydrophobicContact CG1-CG2 4.06Å; V895-V929 HydrophobicContact CG1-CG2 4.36Å; V895-V929 HydrophobicContact CG2-CG1 4.48Å; V895-V929 HydrophobicContact CG2-CG2 4.22Å
896L89.3Confident79.5Confident0 Ų050.7 Ų50.70%030%0.295CS..EExtended strand (participates in β ladder)trans-102.2148.5179-61.5-177.8000111.4L875 S876 V877 W898 I913 T927 Y928 I930 I941 I958L875-L896 HydrophobicContact CD1-CB 4.47Å; S876-L896 WeakPolarHBondContact O-CA 3.38Å; V877-L896 HydrophobicContact CG2-CD2 4.08Å; L896-W898 HydrophobicContact CB-CE3 4.31Å; L896-W898 HydrophobicContact CB-CZ3 3.93Å; L896-I913 HydrophobicContact CD1-CD1 4.27Å; L896-I913 HydrophobicContact CD1-CG2 4.15Å; L896-T927 CarbonylContact O-C 3.55Å; L896-T927 VanDerWaalsContact O-CA 3.29Å; L896-T927 WeakPolarHBondContact O-CA 3.29Å; L896-T927 VanDerWaalsContact O-CG2 3.24Å; L896-T927 WeakPolarHBondContact O-CG2 3.23Å; L896-Y928 PolarHBondContact N-O 2.84Å; L896-Y928 PolarHBondContact O-N 2.96Å; L896-I930 HydrophobicContact CD1-CD1 3.51Å; L896-I930 HydrophobicContact CD1-CG1 4.26Å; L896-I930 HydrophobicContact CG-CD1 4.18Å; L896-I941 HydrophobicContact CD1-CD1 4.33Å; L896-I941 HydrophobicContact CD1-CG2 3.75Å; L896-I941 HydrophobicContact CD2-CD1 3.91Å; L896-I958 HydrophobicContact CD2-CD1 4.12Å
897N90.3Very high81Confident46 Ų4653.5 Ų53.525%0.24630%0.296CS..EExtended strand (participates in β ladder)trans-143.2142.5176.8-170.283.5000111.5S876 L878 T926 T927S876-N897 PolarHBondContact N-O 2.87Å; S876-N897 PolarHBondContact O-N 2.93Å; S876-N897 PolarHBondContact OG-O 2.98Å; L878-N897 HydrophobicContact CD1-CB 3.86Å; L878-N897 HydrophobicContact CD2-CB 4.42Å; L878-N897 HydrophobicContact CG-CB 3.88Å; N897-T926 CarbonylContact C-O 3.55Å; N897-T926 WeakPolarHBondContact CA-O 3.44Å; N897-T926 PolarHBondContact OD1-O 3.39Å; N897-T927 HydrophobicContact CB-CG2 4.5Å; N897-T927 PolarHBondContact OD1-OG1 2.84Å
898W92.7Very high82.7Confident3 Ų345.3 Ų45.31%0.01126%0.258CS..  trans-152.1168.4176.959.492.2000111V872 L875 L896 Y911 I913 V922 V925 T926 I943V872-W898 HydrophobicContact CG1-CB 3.63Å; V872-W898 HydrophobicContact CG1-CG 3.99Å; L875-W898 HydrophobicContact CD1-CB 4.5Å; L875-W898 HydrophobicContact CD1-CE3 3.94Å; L896-W898 HydrophobicContact CB-CE3 4.31Å; L896-W898 HydrophobicContact CB-CZ3 3.93Å; W898-Y911 AromaticContact CD1-CE1 3.86Å; W898-Y911 HydrophobicContact CZ2-CD2 4.1Å; W898-Y911 HydrophobicContact CZ2-CG 4.16Å; W898-Y911 AromaticContact NE1-CD1 3.63Å; W898-Y911 AromaticContact NE1-CD2 3.9Å; W898-Y911 AromaticContact NE1-CE1 3.38Å; W898-Y911 AromaticContact NE1-CE2 3.68Å; W898-Y911 AromaticContact NE1-CG 3.89Å; W898-Y911 AromaticContact NE1-CZ 3.42Å; W898-I913 HydrophobicContact CH2-CD1 4.04Å; W898-I913 HydrophobicContact CZ3-CD1 4.3Å; W898-V922 HydrophobicContact CH2-CG2 4.27Å; W898-V922 HydrophobicContact CZ2-CG2 4.24Å; W898-V925 VanDerWaalsContact CE2-O 3.26Å; W898-V925 HydrophobicContact CH2-CG2 4.39Å; W898-V925 HydrophobicContact CZ2-CG2 4.19Å; W898-V925 WeakPolarHBondContact CZ2-O 3.46Å; W898-V925 PolarHBondContact NE1-O 2.82Å; W898-V925 VanDerWaalsContact NE1-O 3.17Å; W898-T926 PolarHBondContact N-O 2.91Å; W898-T926 VanDerWaalsContact O-CB 3.23Å; W898-T926 WeakPolarHBondContact O-CB 3.5Å; W898-T926 WeakPolarHBondContact O-CG2 3.38Å; W898-I943 HydrophobicContact CD2-CD1 3.6Å; W898-I943 HydrophobicContact CE3-CD1 3.79Å; W898-I943 HydrophobicContact CG-CD1 4.3Å; W898-I943 HydrophobicContact CH2-CD1 3.64Å; W898-I943 HydrophobicContact CZ2-CD1 3.42Å; W898-I943 VanDerWaalsContact CZ2-CD1 3.42Å; W898-I943 HydrophobicContact CZ3-CD1 3.82Å
899E89.5Confident83.8Confident130 Ų13046 Ų4661%0.60727%0.265SS*.  trans-101.9157.2170.1-58.3161.4141.100110.1S874S874-E899 VanDerWaalsContact CB-OE2 3.25Å; S874-E899 WeakPolarHBondContact CB-OE2 3.15Å; S874-E899 VanDerWaalsContact OG-CB 3.28Å; S874-E899 WeakPolarHBondContact OG-CB 3.32Å; S874-E899 PolarHBondContact OG-N 2.67Å; S874-E899 PolarHBondContact OG-OE2 2.91Å
900E88.8Confident84.9Confident98 Ų9845.2 Ų45.246%0.45826%0.26SS..  trans-70.7123.9178-175.8165.3-172.600110.3I908 Y911E900-I908 HydrophobicContact CG-CD1 3.69Å; E900-Y911 WeakPolarHBondContact CG-OH 3.08Å
901P88.6Confident86Confident19 Ų1942.1 Ų42.112%0.12324%0.24CC..  trans-75.3174.4178.633.4-36.9000111.4D870 V872 N903 I908 A945D870-P901 HydrophobicContact CB-CB 4.13Å; D870-P901 WeakPolarHBondContact O-CB 3.44Å; D870-P901 WeakPolarHBondContact O-CG 3.35Å; V872-P901 HydrophobicContact CG2-CG 3.9Å; P901-N903 PolarHBondContact O-N 2.79Å; P901-I908 HydrophobicContact CG-CD1 3.81Å; P901-I908 WeakPolarHBondContact O-CD1 3.46Å; P901-A945 HydrophobicContact CG-CB 3.61Å
902C84.8Confident86.9Confident67 Ų6743.5 Ų43.545%0.45325%0.247SC..  trans-58.5130.3174.1-165.60000110.5P869 D870 N904P869-C902 WeakPolarHBondContact CA-O 3.26Å; D870-C902 HydrophobicContact CB-CB 4.15Å; D870-C902 PolarHBondContact N-O 2.72Å; D870-C902 WeakPolarHBondContact OD2-CB 3.28Å; C902-N904 VanDerWaalsContact C-N 3.33Å; C902-N904 PolarHBondContact SG-OD1 2.78Å
903N84.1Confident87.5Confident64 Ų6441 Ų4134%0.34223%0.232SC..  trans-86.7-5.3-176.573.915000113.4P901 G905 A906 I908 N947P901-N903 PolarHBondContact O-N 2.79Å; N903-G905 PolarHBondContact O-N 2.88Å; N903-G905 PolarHBondContact OD1-N 3.18Å; N903-A906 WeakPolarHBondContact CB-O 3.4Å; N903-A906 PolarHBondContact O-N 3.39Å; N903-A906 VanDerWaalsContact O-N 3.11Å; N903-I908 HydrophobicContact CB-CD1 4.06Å; N903-I908 HydrophobicContact CB-CG1 4.03Å; N903-N947 PolarHBondContact O-ND2 3.29Å
904N82.9Confident87.9Confident23 Ų2340.9 Ų40.912%0.12323%0.23CC..THydrogen-bonded Turntrans47.434.6178.4-61.2-24.5000114.2A837 A838 A866 S867 V868 D870 C902A837-N904 HydrophobicContact CB-CB 4.17Å; A838-N904 WeakPolarHBondContact CB-O 3.46Å; A866-N904 VanDerWaalsContact CA-O 3.29Å; A866-N904 WeakPolarHBondContact CA-O 3.42Å; A866-N904 WeakPolarHBondContact CB-O 3.32Å; S867-N904 PolarHBondContact N-O 2.93Å; S867-N904 WeakPolarHBondContact OG-CB 3.3Å; V868-N904 PolarHBondContact O-ND2 2.92Å; D870-N904 PolarHBondContact OD1-ND2 3.05Å; C902-N904 VanDerWaalsContact C-N 3.33Å; C902-N904 PolarHBondContact SG-OD1 2.78Å
905G77.8Confident87.8Confident46 Ų4641.4 Ų41.447%0.47423%0.233SC..THydrogen-bonded Turntrans93.60.2174.400000116.8A838 N903A838-G905 VanDerWaalsContact CB-CA 3.49Å; N903-G905 PolarHBondContact O-N 2.88Å; N903-G905 PolarHBondContact OD1-N 3.18Å
906A82.8Confident87.4Confident14 Ų1442.9 Ų42.912%0.11625%0.251CS..SBendtrans-135.3129.4174.200000111.1A866 N903 N947 I949A866-A906 HydrophobicContact CB-CB 4.19Å; N903-A906 WeakPolarHBondContact CB-O 3.4Å; N903-A906 PolarHBondContact O-N 3.39Å; N903-A906 VanDerWaalsContact O-N 3.11Å; A906-N947 HydrophobicContact CB-CB 4.23Å; A906-N947 VanDerWaalsContact O-CB 3.23Å; A906-N947 WeakPolarHBondContact O-CB 3.39Å; A906-N947 PolarHBondContact O-ND2 2.97Å; A906-N947 VanDerWaalsContact O-ND2 3.17Å; A906-I949 HydrophobicContact CB-CG1 4.15Å
907E85Confident86.6Confident161 Ų16151.1 Ų51.175%0.75230%0.295SS*.  trans-58.4139.1-169-63.7-174.917200113.5T909 N947E907-T909 PolarHBondContact O-N 3.42Å; E907-N947 WeakPolarHBondContact O-CA 3.14Å; E907-N947 WeakPolarHBondContact O-CB 3.5Å
908I88.8Confident86.1Confident6 Ų654 Ų543%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-74.5117.1178.7-68164.6000108.8P869 E900 P901 N903 Y911 N924 A945 V946P869-I908 HydrophobicContact CB-CD1 4.05Å; P869-I908 HydrophobicContact CB-CG1 4.05Å; P869-I908 HydrophobicContact CG-CD1 4.41Å; P869-I908 HydrophobicContact CG-CG1 3.85Å; E900-I908 HydrophobicContact CG-CD1 3.69Å; P901-I908 HydrophobicContact CG-CD1 3.81Å; P901-I908 WeakPolarHBondContact O-CD1 3.46Å; N903-I908 HydrophobicContact CB-CD1 4.06Å; N903-I908 HydrophobicContact CB-CG1 4.03Å; I908-Y911 HydrophobicContact CG2-CE1 4.26Å; I908-Y911 HydrophobicContact CG2-CE2 3.98Å; I908-N924 PolarHBondContact O-ND2 2.9Å; I908-A945 HydrophobicContact CD1-CB 4.2Å; I908-A945 HydrophobicContact CG1-CB 4.46Å; I908-A945 HydrophobicContact CG2-CB 4.19Å; I908-V946 CarbonylContact C-O 3.52Å; I908-V946 WeakPolarHBondContact CA-O 3.18Å
909T89.6Confident85.7Confident71 Ų7157 Ų5744%0.43633%0.33SS..EExtended strand (participates in β ladder)trans-89.8-31.6-175.862.10000112.2E907 N924 V946 E948E907-T909 PolarHBondContact O-N 3.42Å; T909-N924 PolarHBondContact O-N 2.87Å; T909-V946 PolarHBondContact N-O 3.35Å; T909-V946 PolarHBondContact OG1-O 2.9Å; T909-V946 VanDerWaalsContact OG1-O 3.12Å; T909-E948 HydrophobicContact CG2-CG 4.38Å
910S91.2Very high85.6Confident31 Ų3152.4 Ų52.422%0.21731%0.31CS..EExtended strand (participates in β ladder)trans-165.3167.4-169.848.70000111.6V922 V946S910-V922 VanDerWaalsContact CA-O 3.32Å; S910-V922 WeakPolarHBondContact CA-O 3.35Å; S910-V922 WeakPolarHBondContact CB-O 3.31Å; S910-V946 PolarHBondContact N-O 2.88Å; S910-V946 WeakPolarHBondContact O-CB 3.29Å; S910-V946 PolarHBondContact O-N 3.22Å
911Y93.3Very high85.6Confident0 Ų052.4 Ų52.40%032%0.318CS..EExtended strand (participates in β ladder)trans-125.9152.5169.2-57.1-101.6000109.6V872 W898 E900 I908 V922 V925 I943 Q944 A945V872-Y911 HydrophobicContact CG2-CD1 4.07Å; V872-Y911 HydrophobicContact CG2-CE1 4Å; W898-Y911 AromaticContact CD1-CE1 3.86Å; W898-Y911 HydrophobicContact CZ2-CD2 4.1Å; W898-Y911 HydrophobicContact CZ2-CG 4.16Å; W898-Y911 AromaticContact NE1-CD1 3.63Å; W898-Y911 AromaticContact NE1-CD2 3.9Å; W898-Y911 AromaticContact NE1-CE1 3.38Å; W898-Y911 AromaticContact NE1-CE2 3.68Å; W898-Y911 AromaticContact NE1-CG 3.89Å; W898-Y911 AromaticContact NE1-CZ 3.42Å; E900-Y911 WeakPolarHBondContact CG-OH 3.08Å; I908-Y911 HydrophobicContact CG2-CE1 4.26Å; I908-Y911 HydrophobicContact CG2-CE2 3.98Å; Y911-V922 PolarHBondContact N-O 2.96Å; Y911-V922 WeakPolarHBondContact O-CG2 3.27Å; Y911-V922 PolarHBondContact O-N 2.94Å; Y911-V925 VanDerWaalsContact CE2-O 3.26Å; Y911-V925 WeakPolarHBondContact CE2-O 3.2Å; Y911-I943 HydrophobicContact CD1-CD1 4.06Å; Y911-I943 HydrophobicContact CD1-CG1 4.4Å; Y911-I943 HydrophobicContact CG-CD1 4.11Å; Y911-Q944 CarbonylContact C-O 3.53Å; Y911-Q944 VanDerWaalsContact CA-O 3.23Å; Y911-Q944 WeakPolarHBondContact CA-O 3.39Å; Y911-A945 HydrophobicContact CD1-CB 3.72Å; Y911-A945 HydrophobicContact CE1-CB 3.69Å
912N91.3Very high85.5Confident34 Ų3452 Ų5218%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-113.3114.6168.3-64.9-72.8000109.3I943 Q944 V946N912-I943 WeakPolarHBondContact O-CA 3.25Å; N912-Q944 HydrophobicContact CB-CG 3.84Å; N912-Q944 PolarHBondContact N-O 2.92Å; N912-Q944 PolarHBondContact O-N 3.14Å; N912-V946 WeakPolarHBondContact ND2-CG2 3.21Å
913I91.4Very high85.5Confident0 Ų050.9 Ų50.90%032%0.316CS..EExtended strand (participates in β ladder)trans-83.4142.3170.3-57166.5000107.7L896 W898 S919 I920 V922 Y928 I930 I941 I943L896-I913 HydrophobicContact CD1-CD1 4.27Å; L896-I913 HydrophobicContact CD1-CG2 4.15Å; W898-I913 HydrophobicContact CH2-CD1 4.04Å; W898-I913 HydrophobicContact CZ3-CD1 4.3Å; I913-S919 CarbonylContact O-C 3.55Å; I913-S919 WeakPolarHBondContact O-CA 3.39Å; I913-S919 PolarHBondContact O-OG 3.36Å; I913-I920 HydrophobicContact CB-CB 4.45Å; I913-I920 PolarHBondContact N-O 2.93Å; I913-I920 PolarHBondContact O-N 3.34Å; I913-V922 HydrophobicContact CD1-CG1 3.83Å; I913-V922 HydrophobicContact CD1-CG2 4.23Å; I913-V922 HydrophobicContact CG1-CG2 4.44Å; I913-Y928 HydrophobicContact CD1-CD1 3.7Å; I913-Y928 HydrophobicContact CD1-CE1 4.38Å; I913-Y928 HydrophobicContact CD1-CG 4.08Å; I913-I930 HydrophobicContact CG2-CD1 4.32Å; I913-I941 HydrophobicContact CG2-CG2 3.74Å; I913-I943 HydrophobicContact CG1-CD1 3.77Å; I913-I943 HydrophobicContact CG1-CG1 3.86Å
914D90.3Very high85.7Confident14 Ų1451.4 Ų51.48%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-128.9123.8176.4172.923.9000110.4G916 I941 R942 F954D914-G916 WeakPolarHBondContact OD1-CA 3.46Å; D914-G916 PolarHBondContact OD1-N 2.88Å; D914-I941 WeakPolarHBondContact O-CA 3.49Å; D914-R942 HydrophobicContact CB-CG 3.91Å; D914-R942 PolarHBondContact N-O 2.96Å; D914-R942 PolarHBondContact O-N 2.66Å; D914-R942 IonicContact OD2-CZ 2.92Å; D914-R942 IonicContact OD2-NE 3.22Å; D914-R942 PolarHBondContact OD2-NE 2.75Å; D914-R942 IonicContact OD2-NH2 3.46Å; D914-R942 PolarHBondContact OD2-NH2 3.08Å; D914-F954 HydrophobicContact CB-CE1 3.71Å; D914-F954 HydrophobicContact CB-CZ 4.21Å
915L85.4Confident85.9Confident26 Ų2653.2 Ų53.214%0.13633%0.33CS..  trans-99.81.4-179.3-76148.6000113.1I918 I920 I930 Y939 R940 I941L915-I918 HydrophobicContact CB-CB 4.43Å; L915-I918 PolarHBondContact N-O 2.93Å; L915-I920 HydrophobicContact CD1-CD1 3.58Å; L915-I920 HydrophobicContact CD1-CG1 4.21Å; L915-I930 HydrophobicContact CD1-CD1 4.27Å; L915-I930 HydrophobicContact CD1-CG2 4.33Å; L915-I930 HydrophobicContact CD2-CD1 4.17Å; L915-I930 HydrophobicContact CG-CD1 4.49Å; L915-Y939 HydrophobicContact CD2-CD1 4.22Å; L915-Y939 HydrophobicContact CD2-CG 4.4Å; L915-R940 CarbonylContact C-O 3.6Å; L915-R940 VanDerWaalsContact CA-O 3.31Å; L915-R940 WeakPolarHBondContact CA-O 3.4Å; L915-I941 HydrophobicContact CD2-CD1 4.2Å; L915-I941 HydrophobicContact CD2-CG1 3.91Å
916G78.1Confident86.3Confident47 Ų4754 Ų5449%0.48533%0.326SS..SBendtrans117-71.9-177.800000112D914D914-G916 WeakPolarHBondContact OD1-CA 3.46Å; D914-G916 PolarHBondContact OD1-N 2.88Å
917D72.4Confident86.5Confident174 Ų17456.3 Ų56.393%0.9334%0.339SS*.SBendtrans-101.3-2.6177.8-61.5-47.5000112.7
918I79.5Confident86.6Confident105 Ų10552.2 Ų52.254%0.53832%0.317SS..  trans-134.8122.2-174.4-56.4176.1000108.6L915 I920L915-I918 HydrophobicContact CB-CB 4.43Å; L915-I918 PolarHBondContact N-O 2.93Å; I918-I920 HydrophobicContact CG2-CG1 4.15Å
919S84.9Confident86.5Confident66 Ų6654.4 Ų54.446%0.46233%0.33SS..EExtended strand (participates in β ladder)trans-105.7134.3167.2-170.20000110.7I913I913-S919 CarbonylContact O-C 3.55Å; I913-S919 WeakPolarHBondContact O-CA 3.39Å; I913-S919 PolarHBondContact O-OG 3.36Å
920I87.5Confident86.4Confident35 Ų3551.2 Ų51.218%0.17931%0.311CS..EExtended strand (participates in β ladder)trans-114.6110.1-178.8-55.4179000107.7I913 L915 I918 V922 Y928 I930I913-I920 HydrophobicContact CB-CB 4.45Å; I913-I920 PolarHBondContact N-O 2.93Å; I913-I920 PolarHBondContact O-N 3.34Å; L915-I920 HydrophobicContact CD1-CD1 3.58Å; L915-I920 HydrophobicContact CD1-CG1 4.21Å; I918-I920 HydrophobicContact CG2-CG1 4.15Å; I920-V922 HydrophobicContact CG2-CG1 3.98Å; I920-Y928 HydrophobicContact CG2-CE1 4.29Å; I920-I930 HydrophobicContact CD1-CG2 4.32Å
921P87.3Confident85.9Confident97 Ų9755.2 Ų55.263%0.6333%0.33SS*.EExtended strand (participates in β ladder)trans-72.8130.5168.530.1-32.3000109.4
922V87.4Confident85.2Confident10 Ų1058.6 Ų58.66%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-124150.8175-56.40000109.4W898 S910 Y911 I913 I920 V925 Y928W898-V922 HydrophobicContact CH2-CG2 4.27Å; W898-V922 HydrophobicContact CZ2-CG2 4.24Å; S910-V922 VanDerWaalsContact CA-O 3.32Å; S910-V922 WeakPolarHBondContact CA-O 3.35Å; S910-V922 WeakPolarHBondContact CB-O 3.31Å; Y911-V922 PolarHBondContact N-O 2.96Å; Y911-V922 WeakPolarHBondContact O-CG2 3.27Å; Y911-V922 PolarHBondContact O-N 2.94Å; I913-V922 HydrophobicContact CD1-CG1 3.83Å; I913-V922 HydrophobicContact CD1-CG2 4.23Å; I913-V922 HydrophobicContact CG1-CG2 4.44Å; I920-V922 HydrophobicContact CG2-CG1 3.98Å; V922-V925 HydrophobicContact CG2-CG2 4.35Å; V922-Y928 HydrophobicContact CB-CD2 4.16Å; V922-Y928 HydrophobicContact CB-CE2 4.3Å; V922-Y928 HydrophobicContact CG1-CD1 4.11Å; V922-Y928 HydrophobicContact CG1-CD2 3.57Å; V922-Y928 HydrophobicContact CG1-CE1 4.05Å; V922-Y928 HydrophobicContact CG1-CE2 3.49Å; V922-Y928 VanDerWaalsContact CG1-CE2 3.49Å; V922-Y928 HydrophobicContact CG1-CG 3.89Å
923G85.6Confident84.9Confident45 Ų4557.7 Ų57.746%0.46436%0.36SS..EExtended strand (participates in β ladder)trans-66.2-178.6175.800000112.3V925G923-V925 PolarHBondContact O-N 2.71Å
924N86.8Confident84.4Confident75 Ų7563.3 Ų63.340%0.40139%0.389SS..SBendtrans-66.197.7169.9-170.1-8.7000110.1I908 T909I908-N924 PolarHBondContact O-ND2 2.9Å; T909-N924 PolarHBondContact O-N 2.87Å
925V86.9Confident83.8Confident60 Ų6064.7 Ų64.736%0.36440%0.399SS..  trans-142.7155.3173.9-620000108.4W898 Y911 V922 G923W898-V925 VanDerWaalsContact CE2-O 3.26Å; W898-V925 HydrophobicContact CH2-CG2 4.39Å; W898-V925 HydrophobicContact CZ2-CG2 4.19Å; W898-V925 WeakPolarHBondContact CZ2-O 3.46Å; W898-V925 PolarHBondContact NE1-O 2.82Å; W898-V925 VanDerWaalsContact NE1-O 3.17Å; Y911-V925 VanDerWaalsContact CE2-O 3.26Å; Y911-V925 WeakPolarHBondContact CE2-O 3.2Å; V922-V925 HydrophobicContact CG2-CG2 4.35Å; G923-V925 PolarHBondContact O-N 2.71Å
926T86.8Confident83.6Confident62 Ų6268.7 Ų68.738%0.3842%0.417SS..SBendtrans-103.8-8.2175.942.30000113.6N897 W898N897-T926 CarbonylContact C-O 3.55Å; N897-T926 WeakPolarHBondContact CA-O 3.44Å; N897-T926 PolarHBondContact OD1-O 3.39Å; W898-T926 PolarHBondContact N-O 2.91Å; W898-T926 VanDerWaalsContact O-CB 3.23Å; W898-T926 WeakPolarHBondContact O-CB 3.5Å; W898-T926 WeakPolarHBondContact O-CG2 3.38Å
927T86.4Confident83.7Confident64 Ų6468.6 Ų68.639%0.39341%0.407SS..EExtended strand (participates in β ladder)trans-136.5136.6178.4-420000109.5L878 V895 L896 N897L878-T927 HydrophobicContact CD1-CG2 4.06Å; V895-T927 HydrophobicContact CG1-CG2 4.06Å; L896-T927 CarbonylContact O-C 3.55Å; L896-T927 VanDerWaalsContact O-CA 3.29Å; L896-T927 WeakPolarHBondContact O-CA 3.29Å; L896-T927 VanDerWaalsContact O-CG2 3.24Å; L896-T927 WeakPolarHBondContact O-CG2 3.23Å; N897-T927 HydrophobicContact CB-CG2 4.5Å; N897-T927 PolarHBondContact OD1-OG1 2.84Å
928Y88.1Confident84.3Confident74 Ų7464.5 Ų64.529%0.2939%0.392SS..EExtended strand (participates in β ladder)trans-144.4140.4179.8-172.7-98.1000112.4L896 I913 I920 V922 I930L896-Y928 PolarHBondContact N-O 2.84Å; L896-Y928 PolarHBondContact O-N 2.96Å; I913-Y928 HydrophobicContact CD1-CD1 3.7Å; I913-Y928 HydrophobicContact CD1-CE1 4.38Å; I913-Y928 HydrophobicContact CD1-CG 4.08Å; I920-Y928 HydrophobicContact CG2-CE1 4.29Å; V922-Y928 HydrophobicContact CB-CD2 4.16Å; V922-Y928 HydrophobicContact CB-CE2 4.3Å; V922-Y928 HydrophobicContact CG1-CD1 4.11Å; V922-Y928 HydrophobicContact CG1-CD2 3.57Å; V922-Y928 HydrophobicContact CG1-CE1 4.05Å; V922-Y928 HydrophobicContact CG1-CE2 3.49Å; V922-Y928 VanDerWaalsContact CG1-CE2 3.49Å; V922-Y928 HydrophobicContact CG1-CG 3.89Å; Y928-I930 HydrophobicContact CD1-CG1 3.87Å; Y928-I930 HydrophobicContact CE1-CG1 3.96Å
929V86.8Confident84.6Confident52 Ų5261.3 Ų61.332%0.31537%0.374SS..EExtended strand (participates in β ladder)trans-100.8119.5175.5-173.90000108.9I888 C893 L894 V895I888-V929 HydrophobicContact CD1-CG1 4.32Å; I888-V929 HydrophobicContact CD1-CG2 4.29Å; C893-V929 HydrophobicContact CB-CG1 4.32Å; L894-V929 WeakPolarHBondContact O-CA 3.46Å; V895-V929 HydrophobicContact CG1-CG2 4.36Å; V895-V929 HydrophobicContact CG2-CG1 4.48Å; V895-V929 HydrophobicContact CG2-CG2 4.22Å
930I86.6Confident84.9Confident4 Ų466.1 Ų66.12%0.02138%0.382CS..EExtended strand (participates in β ladder)trans-91.4122168.9-54.9173.2000107.5C893 L894 L896 I913 L915 I920 Y928 L933 I941C893-I930 CarbonylContact C-O 3.58Å; C893-I930 WeakPolarHBondContact CA-O 3.49Å; C893-I930 WeakPolarHBondContact CB-O 3.43Å; L894-I930 PolarHBondContact N-O 3.34Å; L894-I930 PolarHBondContact O-N 3.1Å; L896-I930 HydrophobicContact CD1-CD1 3.51Å; L896-I930 HydrophobicContact CD1-CG1 4.26Å; L896-I930 HydrophobicContact CG-CD1 4.18Å; I913-I930 HydrophobicContact CG2-CD1 4.32Å; L915-I930 HydrophobicContact CD1-CD1 4.27Å; L915-I930 HydrophobicContact CD1-CG2 4.33Å; L915-I930 HydrophobicContact CD2-CD1 4.17Å; L915-I930 HydrophobicContact CG-CD1 4.49Å; I920-I930 HydrophobicContact CD1-CG2 4.32Å; Y928-I930 HydrophobicContact CD1-CG1 3.87Å; Y928-I930 HydrophobicContact CE1-CG1 3.96Å; I930-L933 HydrophobicContact CB-CD1 4.45Å; I930-L933 HydrophobicContact CG2-CD1 4.13Å; I930-L933 HydrophobicContact CG2-CD2 3.79Å; I930-L933 HydrophobicContact CG2-CG 4.07Å; I930-I941 HydrophobicContact CD1-CD1 4.44Å
931D82.1Confident85Confident116 Ų11664.5 Ų64.562%0.6237%0.373SS*.  trans-109.1-178.5177.867.9-24.6000112.2L933D931-L933 PolarHBondContact O-N 3.44Å; D931-L933 VanDerWaalsContact O-N 3.14Å
932G78.4Confident85.2Confident71 Ų7163 Ų6373%0.73236%0.355SS*.SBendtrans68.810.2176.600000115.9V892V892-G932 PolarHBondContact O-N 2.79Å
933L83.9Confident85.5Confident15 Ų1562.6 Ų62.68%0.07935%0.352CS..PPolyproline II helixtrans-73148-177.7-57.4176.8000111.6V892 L894 I930 D931 Y939 T962V892-L933 VanDerWaalsContact CA-O 3.3Å; V892-L933 WeakPolarHBondContact CA-O 3.31Å; V892-L933 VanDerWaalsContact CB-O 3.29Å; V892-L933 WeakPolarHBondContact CB-O 3.45Å; V892-L933 WeakPolarHBondContact CG1-O 3.43Å; V892-L933 WeakPolarHBondContact O-CB 3.41Å; V892-L933 PolarHBondContact O-N 2.83Å; L894-L933 HydrophobicContact CB-CD1 3.94Å; L894-L933 HydrophobicContact CD1-CD1 3.64Å; L894-L933 HydrophobicContact CG-CD1 3.57Å; I930-L933 HydrophobicContact CB-CD1 4.45Å; I930-L933 HydrophobicContact CG2-CD1 4.13Å; I930-L933 HydrophobicContact CG2-CD2 3.79Å; I930-L933 HydrophobicContact CG2-CG 4.07Å; D931-L933 PolarHBondContact O-N 3.44Å; D931-L933 VanDerWaalsContact O-N 3.14Å; L933-Y939 HydrophobicContact CB-CE2 4Å; L933-Y939 HydrophobicContact CD1-CD2 4.36Å; L933-Y939 HydrophobicContact CD1-CE2 4.18Å; L933-Y939 HydrophobicContact CD2-CD1 4.3Å; L933-Y939 HydrophobicContact CD2-CE1 3.85Å; L933-Y939 HydrophobicContact CD2-CE2 4.16Å; L933-Y939 HydrophobicContact CG-CE2 4.35Å; L933-T962 HydrophobicContact CB-CG2 3.98Å; L933-T962 HydrophobicContact CD1-CG2 4.11Å
934L80.7Confident85.9Confident117 Ų11761.9 Ų61.961%0.61334%0.337SS*.PPolyproline II helixtrans-68.4140.7171.5-62.5176.3000111.2T937 Y939 T962L934-T937 WeakPolarHBondContact CB-OG1 3.37Å; L934-T937 WeakPolarHBondContact O-CB 3.38Å; L934-Y939 PolarHBondContact N-OH 2.86Å; L934-Y939 PolarHBondContact O-OH 2.93Å; L934-T962 PolarHBondContact O-OG1 3.2Å
935P78.7Confident86.1Confident44 Ų4458.3 Ų58.329%0.28632%0.318SS..THydrogen-bonded Turntrans-60.3156.3170.3-24.134.1000114.4S891 V892 T937 L965S891-P935 WeakPolarHBondContact O-CA 3.36Å; S891-P935 WeakPolarHBondContact O-CG 3.42Å; V892-P935 HydrophobicContact CG1-CG 4.01Å; P935-T937 PolarHBondContact O-N 3.02Å; P935-T937 PolarHBondContact O-OG1 2.91Å; P935-L965 HydrophobicContact CB-CG 4.46Å; P935-L965 HydrophobicContact CG-CD1 4.42Å; P935-L965 HydrophobicContact CG-CD2 4.44Å; P935-L965 HydrophobicContact CG-CG 4.27Å
936E80.5Confident86.3Confident109 Ų10956.5 Ų56.551%0.50931%0.307SS..THydrogen-bonded Turntrans50.617.6-179.2-119.5-144.310900116.3K961 T962 R963 P964E936-K961 VanDerWaalsContact C-CE 3.48Å; E936-K961 WeakPolarHBondContact O-CE 3.19Å; E936-K961 IonicContact OE1-NZ 2.72Å; E936-K961 PolarHBondContact OE1-NZ 2.75Å; E936-T962 WeakPolarHBondContact CA-O 3.28Å; E936-T962 PolarHBondContact N-OG1 2.94Å; E936-T962 VanDerWaalsContact N-OG1 3.14Å; E936-R963 PolarHBondContact N-O 2.96Å; E936-P964 HydrophobicContact CG-CB 4.27Å
937T80.4Confident86.4Confident46 Ų4653.8 Ų53.828%0.28229%0.29SS..  trans-104.9139.6-168.6-60.80000111.1L934 P935 Y939 K961 T962L934-T937 WeakPolarHBondContact CB-OG1 3.37Å; L934-T937 WeakPolarHBondContact O-CB 3.38Å; P935-T937 PolarHBondContact O-N 3.02Å; P935-T937 PolarHBondContact O-OG1 2.91Å; T937-Y939 HydrophobicContact CG2-CE1 4.14Å; T937-Y939 HydrophobicContact CG2-CE2 3.81Å; T937-Y939 WeakPolarHBondContact CG2-OH 3.47Å; T937-Y939 WeakPolarHBondContact O-CD2 3.36Å; T937-Y939 WeakPolarHBondContact O-CE2 3.19Å; T937-K961 WeakPolarHBondContact O-CA 3.46Å; T937-T962 PolarHBondContact N-OG1 2.71Å; T937-T962 PolarHBondContact O-N 2.97Å; T937-T962 VanDerWaalsContact O-N 3.1Å; T937-T962 PolarHBondContact O-OG1 3.41Å
938S84.8Confident86.4Confident88 Ų8859.1 Ų59.162%0.61531%0.31SS*.EExtended strand (participates in β ladder)trans-101.1119.4-178.1-60.30000112A960 K961S938-A960 CarbonylContact C-O 3.44Å; S938-A960 VanDerWaalsContact CA-O 3.3Å; S938-A960 WeakPolarHBondContact CA-O 3.42Å; S938-K961 WeakPolarHBondContact OG-CG 3.26Å
939Y86.6Confident86.4Confident38 Ų3860.2 Ų60.215%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-102153.4179.7-58.5-88000111.2L894 L915 L933 L934 T937 K959 A960 T962L894-Y939 HydrophobicContact CD1-CD2 4.15Å; L915-Y939 HydrophobicContact CD2-CD1 4.22Å; L915-Y939 HydrophobicContact CD2-CG 4.4Å; L933-Y939 HydrophobicContact CB-CE2 4Å; L933-Y939 HydrophobicContact CD1-CD2 4.36Å; L933-Y939 HydrophobicContact CD1-CE2 4.18Å; L933-Y939 HydrophobicContact CD2-CD1 4.3Å; L933-Y939 HydrophobicContact CD2-CE1 3.85Å; L933-Y939 HydrophobicContact CD2-CE2 4.16Å; L933-Y939 HydrophobicContact CG-CE2 4.35Å; L934-Y939 PolarHBondContact N-OH 2.86Å; L934-Y939 PolarHBondContact O-OH 2.93Å; T937-Y939 HydrophobicContact CG2-CE1 4.14Å; T937-Y939 HydrophobicContact CG2-CE2 3.81Å; T937-Y939 WeakPolarHBondContact CG2-OH 3.47Å; T937-Y939 WeakPolarHBondContact O-CD2 3.36Å; T937-Y939 WeakPolarHBondContact O-CE2 3.19Å; Y939-K959 WeakPolarHBondContact O-CA 3.24Å; Y939-A960 PolarHBondContact N-O 3.21Å; Y939-A960 PolarHBondContact O-N 2.93Å; Y939-A960 VanDerWaalsContact O-N 3.12Å; Y939-T962 HydrophobicContact CE2-CG2 4.14Å
940R89.8Confident86.3Confident167 Ų16758.9 Ų58.963%0.6332%0.317SS*.EExtended strand (participates in β ladder)trans-111.3131.1168.8-64-178.8-173.21763.1107.5L915 F957 I958 K959L915-R940 CarbonylContact C-O 3.6Å; L915-R940 VanDerWaalsContact CA-O 3.31Å; L915-R940 WeakPolarHBondContact CA-O 3.4Å; R940-F957 HydrophobicContact CB-CD1 4.14Å; R940-I958 WeakPolarHBondContact CA-O 3.41Å; R940-K959 HydrophobicContact CG-CG 4.44Å
941I90.9Very high86.3Confident0 Ų060.9 Ų60.90%033%0.334CS..EExtended strand (participates in β ladder)trans-133.4133.5-169.3-47.5179.2000109.3L875 L894 L896 I913 D914 L915 I930 F957 I958 A960L875-I941 HydrophobicContact CD2-CG2 4.4Å; L894-I941 HydrophobicContact CD1-CD1 4.1Å; L896-I941 HydrophobicContact CD1-CD1 4.33Å; L896-I941 HydrophobicContact CD1-CG2 3.75Å; L896-I941 HydrophobicContact CD2-CD1 3.91Å; I913-I941 HydrophobicContact CG2-CG2 3.74Å; D914-I941 WeakPolarHBondContact O-CA 3.49Å; L915-I941 HydrophobicContact CD2-CD1 4.2Å; L915-I941 HydrophobicContact CD2-CG1 3.91Å; I930-I941 HydrophobicContact CD1-CD1 4.44Å; I941-F957 CarbonylContact O-C 3.57Å; I941-F957 WeakPolarHBondContact O-CA 3.41Å; I941-I958 HydrophobicContact CB-CD1 4.36Å; I941-I958 HydrophobicContact CB-CG1 3.85Å; I941-I958 PolarHBondContact N-O 3.24Å; I941-I958 WeakPolarHBondContact O-CG1 3.48Å; I941-I958 PolarHBondContact O-N 3.45Å; I941-A960 HydrophobicContact CD1-CB 4.27Å
942R92.1Very high86.6Confident67 Ų6755.6 Ų55.625%0.25331%0.307SS..EExtended strand (participates in β ladder)trans-137.4165.316761.6179179.1147.77.1109.8D914 F954 S955 F957D914-R942 HydrophobicContact CB-CG 3.91Å; D914-R942 PolarHBondContact N-O 2.96Å; D914-R942 PolarHBondContact O-N 2.66Å; D914-R942 IonicContact OD2-CZ 2.92Å; D914-R942 IonicContact OD2-NE 3.22Å; D914-R942 PolarHBondContact OD2-NE 2.75Å; D914-R942 IonicContact OD2-NH2 3.46Å; D914-R942 PolarHBondContact OD2-NH2 3.08Å; R942-F954 HydrophobicContact CB-CD1 4.38Å; R942-F954 HydrophobicContact CG-CB 4.42Å; R942-F954 HydrophobicContact CG-CD1 3.68Å; R942-F954 HydrophobicContact CG-CE1 4.2Å; R942-F954 HydrophobicContact CG-CG 4.27Å; R942-S955 WeakPolarHBondContact CA-OG 3.4Å; R942-S955 WeakPolarHBondContact CB-OG 3.26Å; R942-F957 HydrophobicContact CB-CD1 3.95Å; R942-F957 HydrophobicContact CB-CE1 4.21Å; R942-F957 HydrophobicContact CB-CG 4.4Å; R942-F957 VanDerWaalsContact CD-CE1 3.46Å; R942-F957 VanDerWaalsContact CD-CZ 3.44Å; R942-F957 HydrophobicContact CG-CD1 3.95Å; R942-F957 HydrophobicContact CG-CE1 3.68Å; R942-F957 HydrophobicContact CG-CZ 4.2Å
943I93.1Very high87.2Confident0 Ų055.8 Ų55.80%030%0.295CS..EExtended strand (participates in β ladder)trans-141.3144.7-178.5-164.6176.6000111.1V872 L875 W898 Y911 N912 I913 F954 S955V872-I943 HydrophobicContact CB-CG2 3.59Å; V872-I943 HydrophobicContact CG1-CG2 3.71Å; V872-I943 HydrophobicContact CG2-CG2 3.87Å; L875-I943 HydrophobicContact CB-CG2 4.18Å; L875-I943 HydrophobicContact CD1-CG2 4.14Å; L875-I943 HydrophobicContact CD2-CB 4.23Å; L875-I943 HydrophobicContact CD2-CG2 3.89Å; L875-I943 HydrophobicContact CG-CG2 4.28Å; W898-I943 HydrophobicContact CD2-CD1 3.6Å; W898-I943 HydrophobicContact CE3-CD1 3.79Å; W898-I943 HydrophobicContact CG-CD1 4.3Å; W898-I943 HydrophobicContact CH2-CD1 3.64Å; W898-I943 HydrophobicContact CZ2-CD1 3.42Å; W898-I943 VanDerWaalsContact CZ2-CD1 3.42Å; W898-I943 HydrophobicContact CZ3-CD1 3.82Å; Y911-I943 HydrophobicContact CD1-CD1 4.06Å; Y911-I943 HydrophobicContact CD1-CG1 4.4Å; Y911-I943 HydrophobicContact CG-CD1 4.11Å; N912-I943 WeakPolarHBondContact O-CA 3.25Å; I913-I943 HydrophobicContact CG1-CD1 3.77Å; I913-I943 HydrophobicContact CG1-CG1 3.86Å; I943-F954 CarbonylContact O-C 3.5Å; I943-F954 WeakPolarHBondContact O-CA 3.36Å; I943-S955 PolarHBondContact N-OG 2.62Å; I943-S955 WeakPolarHBondContact O-CB 3.28Å; I943-S955 PolarHBondContact O-N 2.88Å
944Q92.9Very high87.5Confident31 Ų3157.9 Ų57.915%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-123.9142.9169.260.8-176.812.600110Y911 N912 G952 F954Y911-Q944 CarbonylContact C-O 3.53Å; Y911-Q944 VanDerWaalsContact CA-O 3.23Å; Y911-Q944 WeakPolarHBondContact CA-O 3.39Å; N912-Q944 HydrophobicContact CB-CG 3.84Å; N912-Q944 PolarHBondContact N-O 2.92Å; N912-Q944 PolarHBondContact O-N 3.14Å; Q944-G952 WeakPolarHBondContact CB-O 3.31Å; Q944-G952 PolarHBondContact OE1-O 3Å; Q944-F954 HydrophobicContact CB-CD1 3.81Å; Q944-F954 HydrophobicContact CB-CD2 4.48Å; Q944-F954 HydrophobicContact CB-CE1 4.16Å; Q944-F954 HydrophobicContact CB-CG 4Å; Q944-F954 VanDerWaalsContact CD-CZ 3.43Å; Q944-F954 HydrophobicContact CG-CD1 3.9Å; Q944-F954 HydrophobicContact CG-CE1 3.7Å; Q944-F954 HydrophobicContact CG-CE2 4.36Å; Q944-F954 HydrophobicContact CG-CG 4.32Å; Q944-F954 HydrophobicContact CG-CZ 3.97Å
945A91.8Very high88Confident0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-84.1160.1171.500000111.3P869 V872 P901 I908 Y911 G952P869-A945 HydrophobicContact CB-CB 3.83Å; P869-A945 HydrophobicContact CG-CB 4.18Å; V872-A945 HydrophobicContact CG2-CB 4.29Å; P901-A945 HydrophobicContact CG-CB 3.61Å; I908-A945 HydrophobicContact CD1-CB 4.2Å; I908-A945 HydrophobicContact CG1-CB 4.46Å; I908-A945 HydrophobicContact CG2-CB 4.19Å; Y911-A945 HydrophobicContact CD1-CB 3.72Å; Y911-A945 HydrophobicContact CE1-CB 3.69Å; A945-G952 PolarHBondContact O-N 3.24Å
946V90.6Very high88.4Confident21 Ų2159.1 Ų59.113%0.12730%0.303CS..EExtended strand (participates in β ladder)trans-141130.2-177.7-170.50000110.2I908 T909 S910 N912 G950 A951I908-V946 CarbonylContact C-O 3.52Å; I908-V946 WeakPolarHBondContact CA-O 3.18Å; T909-V946 PolarHBondContact N-O 3.35Å; T909-V946 PolarHBondContact OG1-O 2.9Å; T909-V946 VanDerWaalsContact OG1-O 3.12Å; S910-V946 PolarHBondContact N-O 2.88Å; S910-V946 WeakPolarHBondContact O-CB 3.29Å; S910-V946 PolarHBondContact O-N 3.22Å; N912-V946 WeakPolarHBondContact ND2-CG2 3.21Å; V946-G950 WeakPolarHBondContact CA-O 3.42Å; V946-A951 HydrophobicContact CG2-CB 4.07Å
947N89.8Confident88.8Confident5 Ų559.7 Ų59.73%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-119.7-171.3170.467.910.9000111S867 P869 N903 A906 E907 I949 G950S867-N947 PolarHBondContact O-ND2 2.81Å; P869-N947 HydrophobicContact CG-CB 3.79Å; N903-N947 PolarHBondContact O-ND2 3.29Å; A906-N947 HydrophobicContact CB-CB 4.23Å; A906-N947 VanDerWaalsContact O-CB 3.23Å; A906-N947 WeakPolarHBondContact O-CB 3.39Å; A906-N947 PolarHBondContact O-ND2 2.97Å; A906-N947 VanDerWaalsContact O-ND2 3.17Å; E907-N947 WeakPolarHBondContact O-CA 3.14Å; E907-N947 WeakPolarHBondContact O-CB 3.5Å; N947-I949 PolarHBondContact O-N 3.3Å; N947-I949 WeakPolarHBondContact OD1-CA 3.4Å; N947-I949 WeakPolarHBondContact OD1-CB 3.48Å; N947-I949 PolarHBondContact OD1-N 3.29Å; N947-G950 PolarHBondContact N-O 3.06Å; N947-G950 PolarHBondContact O-N 3.06Å; N947-G950 PolarHBondContact OD1-N 3.43Å; N947-G950 PolarHBondContact OD1-O 2.76Å
948E86.4Confident89.2Confident176 Ų17659.4 Ų59.482%0.82230%0.301SS*.SBendtrans-63.9-20.2179-60-164.5139.900114.2T909T909-E948 HydrophobicContact CG2-CG 4.38Å
949I86.9Confident89.3Confident98 Ų9863.2 Ų63.250%0.50331%0.306SS..SBendtrans-79.9-38.1175.8-50-59000110.6A866 V868 A906 N947A866-I949 HydrophobicContact CB-CD1 4.47Å; A866-I949 HydrophobicContact CB-CG1 4.39Å; V868-I949 HydrophobicContact CG1-CB 4.34Å; V868-I949 HydrophobicContact CG1-CG2 4.08Å; A906-I949 HydrophobicContact CB-CG1 4.15Å; N947-I949 PolarHBondContact O-N 3.3Å; N947-I949 WeakPolarHBondContact OD1-CA 3.4Å; N947-I949 WeakPolarHBondContact OD1-CB 3.48Å; N947-I949 PolarHBondContact OD1-N 3.29Å
950G85.6Confident89.2Confident23 Ų2362 Ų6224%0.23730%0.304CS..  trans157.1-164.8176.700000114.3V946 N947V946-G950 WeakPolarHBondContact CA-O 3.42Å; N947-G950 PolarHBondContact N-O 3.06Å; N947-G950 PolarHBondContact O-N 3.06Å; N947-G950 PolarHBondContact OD1-N 3.43Å; N947-G950 PolarHBondContact OD1-O 2.76Å
951A87Confident88.8Confident47 Ų4759.3 Ų59.339%0.38830%0.296SS..BIsolated β-bridgetrans-83.1130.3175.400000111V946V946-A951 HydrophobicContact CG2-CB 4.07Å
952G88.8Confident88.3Confident5 Ų559.4 Ų59.45%0.05230%0.297CS..  trans-73.3179.4171.100000112.9P869 Q944 A945P869-G952 WeakPolarHBondContact O-CA 3.43Å; Q944-G952 WeakPolarHBondContact CB-O 3.31Å; Q944-G952 PolarHBondContact OE1-O 3Å; A945-G952 PolarHBondContact O-N 3.24Å
953P90.1Very high87.5Confident74 Ų7462.4 Ų62.448%0.48131%0.308SS..PPolyproline II helixtrans-69.2148.8176.116.8-11.8000112.1P869 A871P869-P953 WeakPolarHBondContact O-CD 3.47Å; A871-P953 WeakPolarHBondContact CA-O 3.48Å; A871-P953 HydrophobicContact CB-CB 4.24Å; A871-P953 HydrophobicContact CB-CG 4.01Å
954F90.4Very high86.5Confident59 Ų5964.5 Ų64.526%0.25932%0.322SS..PPolyproline II helixtrans-69.2145.1173.1-78-82.2000112.8D914 R942 I943 Q944D914-F954 HydrophobicContact CB-CE1 3.71Å; D914-F954 HydrophobicContact CB-CZ 4.21Å; R942-F954 HydrophobicContact CB-CD1 4.38Å; R942-F954 HydrophobicContact CG-CB 4.42Å; R942-F954 HydrophobicContact CG-CD1 3.68Å; R942-F954 HydrophobicContact CG-CE1 4.2Å; R942-F954 HydrophobicContact CG-CG 4.27Å; I943-F954 CarbonylContact O-C 3.5Å; I943-F954 WeakPolarHBondContact O-CA 3.36Å; Q944-F954 HydrophobicContact CB-CD1 3.81Å; Q944-F954 HydrophobicContact CB-CD2 4.48Å; Q944-F954 HydrophobicContact CB-CE1 4.16Å; Q944-F954 HydrophobicContact CB-CG 4Å; Q944-F954 VanDerWaalsContact CD-CZ 3.43Å; Q944-F954 HydrophobicContact CG-CD1 3.9Å; Q944-F954 HydrophobicContact CG-CE1 3.7Å; Q944-F954 HydrophobicContact CG-CE2 4.36Å; Q944-F954 HydrophobicContact CG-CG 4.32Å; Q944-F954 HydrophobicContact CG-CZ 3.97Å
955S91.6Very high85.5Confident10 Ų1068 Ų687%0.0734%0.341CS..PPolyproline II helixtrans-55.8165.5165780000112.7V872 R942 I943V872-S955 WeakPolarHBondContact O-CB 3.29Å; R942-S955 WeakPolarHBondContact CA-OG 3.4Å; R942-S955 WeakPolarHBondContact CB-OG 3.26Å; I943-S955 PolarHBondContact N-OG 2.62Å; I943-S955 WeakPolarHBondContact O-CB 3.28Å; I943-S955 PolarHBondContact O-N 2.88Å
956H87Confident84.6Confident178 Ų17871.2 Ų71.282%0.82436%0.362SS*.PPolyproline II helixtrans-61.3155161.1-61.7-46000111.6
957F88.6Confident83.8Confident121 Ų12170.9 Ų70.953%0.53136%0.36SS..PPolyproline II helixtrans-78.1123177.8-75.6-79.7000111.9R940 I941 R942R940-F957 HydrophobicContact CB-CD1 4.14Å; I941-F957 CarbonylContact O-C 3.57Å; I941-F957 WeakPolarHBondContact O-CA 3.41Å; R942-F957 HydrophobicContact CB-CD1 3.95Å; R942-F957 HydrophobicContact CB-CE1 4.21Å; R942-F957 HydrophobicContact CB-CG 4.4Å; R942-F957 VanDerWaalsContact CD-CE1 3.46Å; R942-F957 VanDerWaalsContact CD-CZ 3.44Å; R942-F957 HydrophobicContact CG-CD1 3.95Å; R942-F957 HydrophobicContact CG-CE1 3.68Å; R942-F957 HydrophobicContact CG-CZ 4.2Å
958I88.6Confident83.1Confident39 Ų3978 Ų7820%0.240%0.398CS..EExtended strand (participates in β ladder)trans-89.6167.6161.564.8163.8000111L875 V877 L896 R940 I941L875-I958 HydrophobicContact CD2-CD1 4.15Å; L875-I958 HydrophobicContact CD2-CG1 4.03Å; L875-I958 HydrophobicContact CG-CD1 3.91Å; L875-I958 HydrophobicContact CG-CG1 4.27Å; V877-I958 HydrophobicContact CG2-CD1 3.79Å; L896-I958 HydrophobicContact CD2-CD1 4.12Å; R940-I958 WeakPolarHBondContact CA-O 3.41Å; I941-I958 HydrophobicContact CB-CD1 4.36Å; I941-I958 HydrophobicContact CB-CG1 3.85Å; I941-I958 PolarHBondContact N-O 3.24Å; I941-I958 WeakPolarHBondContact O-CG1 3.48Å; I941-I958 PolarHBondContact O-N 3.45Å
959K86.9Confident82.5Confident169 Ų16972.4 Ų72.474%0.73538%0.377SS*.EExtended strand (participates in β ladder)trans-128.2136.3175.5-66.2173.3-173.41650109.7Y939 R940Y939-K959 WeakPolarHBondContact O-CA 3.24Å; R940-K959 HydrophobicContact CG-CG 4.44Å
960A83.9Confident82.1Confident11 Ų1168.3 Ų68.39%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-138.3146.4-179.500000110.4V877 L894 S938 Y939 I941V877-A960 HydrophobicContact CG2-CB 3.97Å; L894-A960 HydrophobicContact CD1-CB 3.54Å; L894-A960 HydrophobicContact CD2-CB 4Å; L894-A960 HydrophobicContact CG-CB 4.42Å; S938-A960 CarbonylContact C-O 3.44Å; S938-A960 VanDerWaalsContact CA-O 3.3Å; S938-A960 WeakPolarHBondContact CA-O 3.42Å; Y939-A960 PolarHBondContact N-O 3.21Å; Y939-A960 PolarHBondContact O-N 2.93Å; Y939-A960 VanDerWaalsContact O-N 3.12Å; I941-A960 HydrophobicContact CD1-CB 4.27Å
961K82.4Confident81.9Confident111 Ų11175.2 Ų75.248%0.48338%0.376SS..EExtended strand (participates in β ladder)trans-126.8132.8178.3-168.1-169.3178.3-169.90110.8E936 T937 S938E936-K961 VanDerWaalsContact C-CE 3.48Å; E936-K961 WeakPolarHBondContact O-CE 3.19Å; E936-K961 IonicContact OE1-NZ 2.72Å; E936-K961 PolarHBondContact OE1-NZ 2.75Å; T937-K961 WeakPolarHBondContact O-CA 3.46Å; S938-K961 WeakPolarHBondContact OG-CG 3.26Å
962T80.9Confident81.9Confident3 Ų373.7 Ų73.72%0.01836%0.361CS..  trans-75.3155.8172.249.90000112L894 L933 L934 E936 T937 Y939L894-T962 HydrophobicContact CG-CG2 4.37Å; L933-T962 HydrophobicContact CB-CG2 3.98Å; L933-T962 HydrophobicContact CD1-CG2 4.11Å; L934-T962 PolarHBondContact O-OG1 3.2Å; E936-T962 WeakPolarHBondContact CA-O 3.28Å; E936-T962 PolarHBondContact N-OG1 2.94Å; E936-T962 VanDerWaalsContact N-OG1 3.14Å; T937-T962 PolarHBondContact N-OG1 2.71Å; T937-T962 PolarHBondContact O-N 2.97Å; T937-T962 VanDerWaalsContact O-N 3.1Å; T937-T962 PolarHBondContact O-OG1 3.41Å; Y939-T962 HydrophobicContact CE2-CG2 4.14Å
963R75.2Confident81.8Confident129 Ų12977.3 Ų77.349%0.48738%0.376SS..  trans-78.5161.2179.7-63.2-166.8-171.2-177.76.1112.4P890 S891 E936P890-R963 HydrophobicContact CB-CG 4.16Å; P890-R963 PolarHBondContact O-N 2.9Å; S891-R963 WeakPolarHBondContact CA-O 3.26Å; S891-R963 WeakPolarHBondContact CB-O 3.43Å; E936-R963 PolarHBondContact N-O 2.96Å
964P71.9Confident81.5Confident44 Ų4475.8 Ų75.829%0.28637%0.367SS..  trans-68.6-177.516928.8-35.4000112.3S891 E936 A1044S891-P964 WeakPolarHBondContact CB-O 3.4Å; S891-P964 PolarHBondContact OG-O 2.74Å; E936-P964 HydrophobicContact CG-CB 4.27Å; P964-A1044 HydrophobicContact CG-CB 4.45Å; P964-A1044 WeakPolarHBondContact O-CB 3.2Å
965L71.9Confident81.3Confident104 Ų10475.9 Ų75.955%0.54538%0.378SS..PPolyproline II helixtrans-98.7155.5175.5-69.1171000112.4P935 N1042 A1044P935-L965 HydrophobicContact CB-CG 4.46Å; P935-L965 HydrophobicContact CG-CD1 4.42Å; P935-L965 HydrophobicContact CG-CD2 4.44Å; P935-L965 HydrophobicContact CG-CG 4.27Å; L965-N1042 PolarHBondContact O-ND2 3.44Å; L965-A1044 VanDerWaalsContact C-CB 3.5Å
966P72.4Confident80.9Confident69 Ų6977.9 Ų77.945%0.44840%0.396SS..PPolyproline II helixtrans-62.2155.5173.9-22.533.8000113.5A1044P966-A1044 HydrophobicContact CG-CB 4.15Å
967P73.9Confident80.7Confident13 Ų1371.9 Ų71.98%0.08438%0.377CS..PPolyproline II helixtrans-83.6154.2-17234.1-33.6000113.2M999 A1040 N1042 G1047P967-M999 HydrophobicContact CB-CE 4.35Å; P967-A1040 HydrophobicContact CB-CB 4.33Å; P967-A1040 HydrophobicContact CG-CB 4.15Å; P967-N1042 WeakPolarHBondContact CD-OD1 3.4Å; P967-N1042 HydrophobicContact CG-CB 4.46Å; P967-G1047 WeakPolarHBondContact O-CA 3.38Å
968L73.7Confident80.5Confident154 Ų15466.8 Ų66.881%0.80636%0.358SS*.PPolyproline II helixtrans-78155.8175-72.3175.1000112.3
969P75.6Confident80Confident59 Ų5967.6 Ų67.638%0.38337%0.366SS..PPolyproline II helixtrans-69.7130-175.226.8-32.5000111.6P1048P969-P1048 HydrophobicContact CB-CG 4.3Å; P969-P1048 WeakPolarHBondContact CB-O 3.43Å; P969-P1048 HydrophobicContact CG-CG 4.2Å
970P78.8Confident79.9Confident13 Ų1365.8 Ų65.88%0.08436%0.36CS..PPolyproline II helixtrans-78.2139.1-176.730.6-34000112.3Y1001 I1038 A1040P970-Y1001 HydrophobicContact CB-CD1 4.28Å; P970-Y1001 HydrophobicContact CB-CE1 3.95Å; P970-Y1001 HydrophobicContact CG-CD1 3.91Å; P970-Y1001 HydrophobicContact CG-CE1 4.04Å; P970-I1038 HydrophobicContact CG-CD1 4.27Å; P970-I1038 HydrophobicContact CG-CG1 3.98Å; P970-I1038 HydrophobicContact CG-CG2 4.02Å; P970-I1038 WeakPolarHBondContact O-CG2 3.44Å; P970-A1040 HydrophobicContact CG-CB 4.26Å
971R80.5Confident80.1Confident168 Ų16866.7 Ų66.763%0.63437%0.366SS*.PPolyproline II helixtrans-71.1140.2177.3-167.3176.5-178.8-148.8-1.8112W986 G987 D988R971-W986 CarbonylContact O-C 3.55Å; R971-W986 WeakPolarHBondContact O-CA 3.41Å; R971-W986 WeakPolarHBondContact O-CB 3.13Å; R971-G987 PolarHBondContact O-N 2.97Å; R971-D988 WeakPolarHBondContact CD-OD1 3.11Å; R971-D988 IonicContact NH1-OD1 3.83Å
972L86.4Confident80.4Confident15 Ų1561.5 Ų61.58%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-121.5133.5-173.7-17963.5000112.4L984 W986 L1003 F1036 I1038 C1053L972-L984 HydrophobicContact CD1-CB 4.35Å; L972-L984 HydrophobicContact CD1-CD1 4.48Å; L972-W986 HydrophobicContact CD1-CB 4.15Å; L972-W986 HydrophobicContact CD1-CE3 3.79Å; L972-L1003 HydrophobicContact CD1-CD1 3.85Å; L972-L1003 HydrophobicContact CD2-CD1 3.84Å; L972-F1036 HydrophobicContact CD2-CB 3.79Å; L972-I1038 HydrophobicContact CB-CG2 3.94Å; L972-I1038 HydrophobicContact CD1-CG2 4.49Å; L972-I1038 HydrophobicContact CD2-CG2 4.22Å; L972-I1038 HydrophobicContact CG-CG2 4.45Å; L972-C1053 HydrophobicContact CD2-CB 4.3Å
973E86.4Confident80.8Confident81 Ų8165.6 Ų65.638%0.37936%0.361SS..EExtended strand (participates in β ladder)trans-142160-177.865.5179.4-174.900113.3L984 K985E973-L984 CarbonylContact O-C 3.39Å; E973-L984 VanDerWaalsContact O-CA 3.28Å; E973-L984 WeakPolarHBondContact O-CA 3.31Å; E973-K985 HydrophobicContact CG-CB 3.93Å; E973-K985 HydrophobicContact CG-CG 4.25Å; E973-K985 WeakPolarHBondContact CG-O 3.32Å; E973-K985 PolarHBondContact N-O 2.71Å; E973-K985 PolarHBondContact O-N 3.04Å; E973-K985 WeakPolarHBondContact OE1-CD 3.36Å; E973-K985 WeakPolarHBondContact OE1-CE 3.19Å; E973-K985 WeakPolarHBondContact OE1-CG 3.37Å; E973-K985 IonicContact OE1-NZ 2.83Å; E973-K985 PolarHBondContact OE1-NZ 3.47Å
974C85.5Confident81.5Confident41 Ų4159.4 Ų59.428%0.27734%0.338SS..EExtended strand (participates in β ladder)trans-103.5109.2174175.60000111.3K983 L984 F1055C974-K983 CarbonylContact C-O 3.59Å; C974-L984 HydrophobicContact CB-CD2 3.7Å; C974-F1055 HydrophobicContact CB-CB 4.1Å; C974-F1055 HydrophobicContact CB-CD1 3.34Å; C974-F1055 HydrophobicContact CB-CD2 3.96Å; C974-F1055 HydrophobicContact CB-CE1 3.6Å; C974-F1055 HydrophobicContact CB-CE2 4.19Å; C974-F1055 HydrophobicContact CB-CG 3.52Å; C974-F1055 HydrophobicContact CB-CZ 4.02Å
975A85.2Confident82.2Confident61 Ų6160.1 Ų60.150%0.50434%0.336SS..EExtended strand (participates in β ladder)trans-81-22.3-176.900000114.4K983 K985A975-K983 PolarHBondContact N-O 2.77Å; A975-K985 HydrophobicContact CB-CB 4.42Å
976A82.8Confident83Confident53 Ų5355.2 Ų55.244%0.43831%0.311SS..EExtended strand (participates in β ladder)trans-161139.7174.200000112.6L982 K983A976-L982 CarbonylContact O-C 3.43Å; A976-L982 WeakPolarHBondContact O-CA 3.46Å; A976-K983 HydrophobicContact CB-CB 4.23Å; A976-K983 PolarHBondContact N-O 3.04Å; A976-K983 PolarHBondContact O-N 3.21Å
977A83.8Confident82.9Confident52 Ų5252.7 Ų52.743%0.4330%0.297SS..EExtended strand (participates in β ladder)trans-123.3142.317300000111.2L982 C1056A977-L982 HydrophobicContact CB-CD2 3.74Å; A977-C1056 WeakPolarHBondContact CB-O 3.49Å
978G83.1Confident82.3Confident13 Ų1355.9 Ų55.913%0.13431%0.313CS..EExtended strand (participates in β ladder)trans-144.2178.7171.400000110.8Q980 S981 T1057 T1058G978-Q980 PolarHBondContact O-N 3.13Å; G978-S981 PolarHBondContact N-O 2.87Å; G978-S981 PolarHBondContact O-N 2.91Å; G978-T1057 VanDerWaalsContact O-CB 3.24Å; G978-T1057 WeakPolarHBondContact O-CB 3.45Å; G978-T1057 WeakPolarHBondContact O-CG2 3.48Å; G978-T1058 VanDerWaalsContact C-OG1 3.31Å; G978-T1058 WeakPolarHBondContact CA-OG1 3.46Å
979P79.7Confident81.3Confident56 Ų5654.3 Ų54.336%0.36432%0.315SS..THydrogen-bonded Turntrans-61.8-20.4-170.7-26.836.2000115.3T1029 E1030 T1058P979-T1029 CarbonylContact O-C 3.58Å; P979-E1030 HydrophobicContact CB-CB 4.29Å; P979-E1030 WeakPolarHBondContact O-CA 3.36Å; P979-E1030 PolarHBondContact O-N 3.44Å; P979-E1030 VanDerWaalsContact O-N 3.15Å; P979-T1058 WeakPolarHBondContact CA-O 3.36Å; P979-T1058 VanDerWaalsContact CD-OG1 3.31Å; P979-T1058 WeakPolarHBondContact CD-OG1 3.46Å
980Q84.6Confident80Confident131 Ų13156.4 Ų56.461%0.61233%0.331SS*.THydrogen-bonded Turntrans-137.918.9179.3-59.1-170.7-900114.5G978 Q1026 R1027 L1028G978-Q980 PolarHBondContact O-N 3.13Å; Q980-Q1026 CarbonylContact O-C 3.6Å; Q980-R1027 PolarHBondContact O-N 2.84Å; Q980-L1028 VanDerWaalsContact CA-O 3.3Å; Q980-L1028 WeakPolarHBondContact CA-O 3.36Å; Q980-L1028 WeakPolarHBondContact CB-O 3.5Å; Q980-L1028 WeakPolarHBondContact CG-O 3.36Å; Q980-L1028 PolarHBondContact O-N 3.5Å
981S86.9Confident78.5Confident31 Ų3159.4 Ų59.422%0.21735%0.353CS..EExtended strand (participates in β ladder)trans-157.4148.4-178.8630000114.2G978 I1025G978-S981 PolarHBondContact N-O 2.87Å; G978-S981 PolarHBondContact O-N 2.91Å; S981-I1025 VanDerWaalsContact CA-O 3.24Å; S981-I1025 WeakPolarHBondContact CA-O 3.32Å; S981-I1025 WeakPolarHBondContact CB-O 3.38Å
982L88.6Confident76.9Confident1 Ų161.3 Ų61.31%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-123.7139.6171-70168.5000109.2A976 A977 I1025 L1028 Y1034 F1036 F1055 T1057A976-L982 CarbonylContact O-C 3.43Å; A976-L982 WeakPolarHBondContact O-CA 3.46Å; A977-L982 HydrophobicContact CB-CD2 3.74Å; L982-I1025 PolarHBondContact N-O 2.94Å; L982-I1025 PolarHBondContact O-N 3.49Å; L982-I1025 VanDerWaalsContact O-O 3.14Å; L982-L1028 HydrophobicContact CB-CD1 3.94Å; L982-L1028 HydrophobicContact CD1-CD1 3.64Å; L982-L1028 HydrophobicContact CG-CD1 3.57Å; L982-Y1034 HydrophobicContact CD1-CD2 4.17Å; L982-F1036 HydrophobicContact CD1-CE2 4.31Å; L982-F1036 HydrophobicContact CD1-CZ 4.43Å; L982-F1055 HydrophobicContact CD1-CB 4.03Å; L982-F1055 HydrophobicContact CD2-CB 4.14Å; L982-T1057 HydrophobicContact CG-CG2 4.49Å
983K89.5Confident75Confident89 Ų8967 Ų6739%0.38740%0.395SS..EExtended strand (participates in β ladder)trans-113.9120.8168.8-173.4-176.3178.3-173.50109C974 A975 A976 K1024C974-K983 CarbonylContact C-O 3.59Å; A975-K983 PolarHBondContact N-O 2.77Å; A976-K983 HydrophobicContact CB-CB 4.23Å; A976-K983 PolarHBondContact N-O 3.04Å; A976-K983 PolarHBondContact O-N 3.21Å; K983-K1024 HydrophobicContact CB-CB 4.47Å; K983-K1024 HydrophobicContact CB-CG 4.29Å; K983-K1024 HydrophobicContact CG-CB 4.28Å
984L90.6Very high73.3Confident0 Ų069.4 Ų69.40%041%0.406CS..EExtended strand (participates in β ladder)trans-102.8154.7178.5-53.2-173.4000111.3L972 E973 C974 W986 L1003 T1022 Y1023 I1025 F1036 F1055L972-L984 HydrophobicContact CD1-CB 4.35Å; L972-L984 HydrophobicContact CD1-CD1 4.48Å; E973-L984 CarbonylContact O-C 3.39Å; E973-L984 VanDerWaalsContact O-CA 3.28Å; E973-L984 WeakPolarHBondContact O-CA 3.31Å; C974-L984 HydrophobicContact CB-CD2 3.7Å; L984-W986 HydrophobicContact CB-CZ3 4.33Å; L984-L1003 HydrophobicContact CD1-CD2 4.43Å; L984-T1022 WeakPolarHBondContact O-CA 3.24Å; L984-T1022 WeakPolarHBondContact O-CB 3.24Å; L984-Y1023 PolarHBondContact N-O 2.89Å; L984-Y1023 PolarHBondContact O-N 3Å; L984-I1025 HydrophobicContact CD1-CD1 3.94Å; L984-I1025 HydrophobicContact CG-CD1 3.85Å; L984-F1036 HydrophobicContact CD1-CB 4.31Å; L984-F1036 HydrophobicContact CD1-CD1 3.58Å; L984-F1036 HydrophobicContact CD1-CD2 3.88Å; L984-F1036 HydrophobicContact CD1-CE1 3.71Å; L984-F1036 HydrophobicContact CD1-CE2 4.02Å; L984-F1036 HydrophobicContact CD1-CG 3.66Å; L984-F1036 HydrophobicContact CD1-CZ 3.94Å; L984-F1055 HydrophobicContact CD1-CD2 4.45Å; L984-F1055 HydrophobicContact CD1-CE2 4.43Å; L984-F1055 HydrophobicContact CD2-CD2 3.48Å; L984-F1055 VanDerWaalsContact CD2-CD2 3.48Å; L984-F1055 HydrophobicContact CD2-CE2 3.69Å; L984-F1055 HydrophobicContact CD2-CG 4.25Å
985K86.6Confident71.3Confident58 Ų5872.1 Ų72.125%0.25243%0.432SS..EExtended strand (participates in β ladder)trans-139.2151.9176.6168.5170.5166.6-66.90108.9E973 A975 H1021 T1022E973-K985 HydrophobicContact CG-CB 3.93Å; E973-K985 HydrophobicContact CG-CG 4.25Å; E973-K985 WeakPolarHBondContact CG-O 3.32Å; E973-K985 PolarHBondContact N-O 2.71Å; E973-K985 PolarHBondContact O-N 3.04Å; E973-K985 WeakPolarHBondContact OE1-CD 3.36Å; E973-K985 WeakPolarHBondContact OE1-CE 3.19Å; E973-K985 WeakPolarHBondContact OE1-CG 3.37Å; E973-K985 IonicContact OE1-NZ 2.83Å; E973-K985 PolarHBondContact OE1-NZ 3.47Å; A975-K985 HydrophobicContact CB-CB 4.42Å; K985-H1021 CarbonylContact C-O 3.6Å; K985-H1021 WeakPolarHBondContact CA-O 3.38Å; K985-T1022 HydrophobicContact CB-CG2 3.91Å; K985-T1022 HydrophobicContact CD-CG2 4.32Å; K985-T1022 HydrophobicContact CG-CG2 3.98Å
986W87.5Confident69.8Low2 Ų272.4 Ų72.41%0.00843%0.427CS..EExtended strand (participates in β ladder)trans-148.6167.4175.752.688.4000112.8R971 L972 L984 Y1001 L1003 Y1016 S1020 H1021 I1038R971-W986 CarbonylContact O-C 3.55Å; R971-W986 WeakPolarHBondContact O-CA 3.41Å; R971-W986 WeakPolarHBondContact O-CB 3.13Å; L972-W986 HydrophobicContact CD1-CB 4.15Å; L972-W986 HydrophobicContact CD1-CE3 3.79Å; L984-W986 HydrophobicContact CB-CZ3 4.33Å; W986-Y1001 AromaticContact NE1-CD2 3.65Å; W986-Y1001 AromaticContact NE1-CG 3.63Å; W986-L1003 HydrophobicContact CH2-CB 4.34Å; W986-L1003 HydrophobicContact CH2-CD2 3.86Å; W986-L1003 HydrophobicContact CZ3-CD1 4.47Å; W986-L1003 HydrophobicContact CZ3-CD2 3.67Å; W986-L1003 HydrophobicContact CZ3-CG 4.48Å; W986-Y1016 AromaticContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CG 4.41Å; W986-Y1016 AromaticContact CZ2-CD1 3.6Å; W986-Y1016 HydrophobicContact CZ2-CD1 3.6Å; W986-Y1016 AromaticContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CG 4.47Å; W986-S1020 WeakPolarHBondContact CZ2-O 3.48Å; W986-S1020 PolarHBondContact NE1-O 3.14Å; W986-H1021 PolarHBondContact N-O 3.25Å; W986-I1038 HydrophobicContact CB-CD1 3.86Å; W986-I1038 HydrophobicContact CD2-CD1 3.38Å; W986-I1038 HydrophobicContact CE3-CD1 4.1Å; W986-I1038 HydrophobicContact CG-CD1 3.27Å; W986-I1038 HydrophobicContact CZ2-CD1 4.24Å
987G72.1Confident68.4Low16 Ų1677.5 Ų77.517%0.16545%0.447CS..SBendtrans83.9141.8-172.700000112.2R971R971-G987 PolarHBondContact O-N 2.97Å
988D61Low67.5Low79 Ų7980.1 Ų80.142%0.42245%0.454SS..  trans-82.5128.6-176.8-77.2-54.3000111.7R971 S990 S991R971-D988 WeakPolarHBondContact CD-OD1 3.11Å; R971-D988 IonicContact NH1-OD1 3.83Å; D988-S990 PolarHBondContact O-N 2.82Å; D988-S991 PolarHBondContact O-OG 2.85Å
989S51.3Low67.1Low121 Ų12181 Ų8185%0.84646%0.455SS*.THydrogen-bonded Turntrans-76.325.2177.650.70000114
990S49.8Very low67.2Low103 Ų10380.6 Ų80.672%0.7245%0.452SS*.THydrogen-bonded Turntrans-126.1-20.1178.659.60000113.9D988 K992D988-S990 PolarHBondContact O-N 2.82Å; S990-K992 PolarHBondContact O-N 3.15Å; S990-K992 VanDerWaalsContact O-N 3.07Å
991S47.7Very low67.3Low76 Ų7675.4 Ų75.453%0.53143%0.426SS..  trans-80.985.717851.60000111.4D988D988-S991 PolarHBondContact O-OG 2.85Å
992K46.6Very low67.4Low208 Ų20874.6 Ų74.690%0.90442%0.419SS*.  trans-81.54.7169.2-94.9-167.7174-171.80114.4S990S990-K992 PolarHBondContact O-N 3.15Å; S990-K992 VanDerWaalsContact O-N 3.07Å
993L46.6Very low67.5Low134 Ų13474.5 Ų74.570%0.70242%0.419SS*.SBendtrans-103.5140.7165.1-87.465.3000108.3
994H49.4Very low67.6Low132 Ų13271.4 Ų71.461%0.61141%0.406SS*.  trans62.644.2177-45.7-70.9000116.5T996 M999H994-T996 VanDerWaalsContact C-N 3.3Å; H994-T996 PolarHBondContact O-N 3.39Å; H994-M999 HydrophobicContact CB-CE 4.33Å
995A45Very low67.6Low99 Ų9972.8 Ų72.882%0.81841%0.413SS*.  trans-84.778.8147.400000108.5
996T52.7Low67.8Low66 Ų6672.6 Ų72.641%0.40541%0.413SS..  trans-86.8135.3170.849.20000109.1H994 D998 M999H994-T996 VanDerWaalsContact C-N 3.3Å; H994-T996 PolarHBondContact O-N 3.39Å; T996-D998 PolarHBondContact O-N 2.84Å; T996-D998 VanDerWaalsContact O-N 3.08Å; T996-M999 PolarHBondContact O-N 2.99Å
997D53.8Low67.6Low160 Ų16074.6 Ų74.686%0.85642%0.424SS*.THydrogen-bonded Turntrans-59.7-23.2-174.7-82.4-49.9000113.6M999D997-M999 VanDerWaalsContact C-N 3.32Å; D997-M999 PolarHBondContact O-N 3.15Å
998D64.1Low67.9Low108 Ų10885.8 Ų85.858%0.57846%0.461SS*.THydrogen-bonded Turntrans-81.52.3-178.6-51.9-76.9000115T996 V1000T996-D998 PolarHBondContact O-N 2.84Å; T996-D998 VanDerWaalsContact O-N 3.08Å; D998-V1000 PolarHBondContact O-N 2.99Å
999M74.6Confident69Low32 Ų3287.8 Ų87.816%0.15847%0.472CS..  trans-73.4121.3177.3-81.5-163-171.600113.3P967 H994 T996 D997 V1041P967-M999 HydrophobicContact CB-CE 4.35Å; H994-M999 HydrophobicContact CB-CE 4.33Å; T996-M999 PolarHBondContact O-N 2.99Å; D997-M999 VanDerWaalsContact C-N 3.32Å; D997-M999 PolarHBondContact O-N 3.15Å; M999-V1041 WeakPolarHBondContact CA-O 3.35Å
1000V82.2Confident70.4Confident47 Ų4790 Ų9029%0.28547%0.466SS..EExtended strand (participates in β ladder)trans-109.6121.9178.5-179.70000111.3D998 R1017 A1040 V1041D998-V1000 PolarHBondContact O-N 2.99Å; V1000-R1017 HydrophobicContact CG1-CG 3.89Å; V1000-A1040 CarbonylContact O-C 3.58Å; V1000-A1040 WeakPolarHBondContact O-CA 3.18Å; V1000-V1041 HydrophobicContact CB-CB 4.45Å; V1000-V1041 PolarHBondContact N-O 2.87Å; V1000-V1041 PolarHBondContact O-N 2.89Å
1001Y86.9Confident72.1Confident22 Ų2293.8 Ų93.89%0.08647%0.465CS..EExtended strand (participates in β ladder)trans-93151174.1-58.6-69.7000112.6P970 W986 R1017 G1018 H1021 Q1039 A1040P970-Y1001 HydrophobicContact CB-CD1 4.28Å; P970-Y1001 HydrophobicContact CB-CE1 3.95Å; P970-Y1001 HydrophobicContact CG-CD1 3.91Å; P970-Y1001 HydrophobicContact CG-CE1 4.04Å; W986-Y1001 AromaticContact NE1-CD2 3.65Å; W986-Y1001 AromaticContact NE1-CG 3.63Å; Y1001-R1017 CarbonylContact O-C 3.54Å; Y1001-R1017 VanDerWaalsContact O-CA 3.26Å; Y1001-R1017 WeakPolarHBondContact O-CA 3.39Å; Y1001-G1018 WeakPolarHBondContact CB-O 3.38Å; Y1001-G1018 PolarHBondContact N-O 3.32Å; Y1001-G1018 PolarHBondContact O-N 3.33Å; Y1001-H1021 AromaticContact CE2-CE1 3.49Å; Y1001-H1021 VanDerWaalsContact CE2-CE1 3.49Å; Y1001-H1021 WeakPolarHBondContact CE2-CE1 3.37Å; Y1001-H1021 AromaticContact CE2-ND1 3.85Å; Y1001-H1021 AromaticContact CE2-NE2 3.59Å; Y1001-H1021 AromaticContact CZ-NE2 3.7Å; Y1001-H1021 PolarHBondContact OH-NE2 3.06Å; Y1001-Q1039 VanDerWaalsContact CA-O 3.31Å; Y1001-Q1039 WeakPolarHBondContact CA-O 3.25Å; Y1001-A1040 HydrophobicContact CD1-CB 3.82Å; Y1001-A1040 HydrophobicContact CE1-CB 3.86Å
1002I89Confident74Confident13 Ų1392.3 Ų92.37%0.06745%0.449CS..EExtended strand (participates in β ladder)trans-134.3107.3175.3-48.1-179.2000110.3P1014 Y1016 R1017 I1038 Q1039I1002-P1014 HydrophobicContact CG2-CB 4.37Å; I1002-Y1016 WeakPolarHBondContact CA-O 3.47Å; I1002-R1017 HydrophobicContact CG1-CG 4.07Å; I1002-I1038 VanDerWaalsContact O-CA 3.26Å; I1002-I1038 WeakPolarHBondContact O-CA 3.44Å; I1002-I1038 WeakPolarHBondContact O-CG1 3.29Å; I1002-Q1039 HydrophobicContact CB-CG 4.13Å; I1002-Q1039 HydrophobicContact CD1-CG 4.4Å; I1002-Q1039 HydrophobicContact CG1-CG 4.38Å; I1002-Q1039 PolarHBondContact N-O 2.85Å; I1002-Q1039 PolarHBondContact O-N 2.6Å; I1002-Q1039 VanDerWaalsContact O-N 3.08Å
1003L89.7Confident75.9Confident0 Ų086.3 Ų86.30%043%0.426CS..EExtended strand (participates in β ladder)trans-98.4137178.3176.877.9000111L972 L984 W986 P1014 I1015 Y1016 Y1023 F1036 I1038L972-L1003 HydrophobicContact CD1-CD1 3.85Å; L972-L1003 HydrophobicContact CD2-CD1 3.84Å; L984-L1003 HydrophobicContact CD1-CD2 4.43Å; W986-L1003 HydrophobicContact CH2-CB 4.34Å; W986-L1003 HydrophobicContact CH2-CD2 3.86Å; W986-L1003 HydrophobicContact CZ3-CD1 4.47Å; W986-L1003 HydrophobicContact CZ3-CD2 3.67Å; W986-L1003 HydrophobicContact CZ3-CG 4.48Å; L1003-P1014 WeakPolarHBondContact O-CA 3.41Å; L1003-I1015 HydrophobicContact CD2-CD1 3.64Å; L1003-I1015 HydrophobicContact CD2-CG1 3.92Å; L1003-I1015 HydrophobicContact CG-CD1 4.11Å; L1003-I1015 HydrophobicContact CG-CG1 4.02Å; L1003-I1015 PolarHBondContact O-N 2.6Å; L1003-Y1016 PolarHBondContact N-O 3.01Å; L1003-Y1016 PolarHBondContact O-N 3.44Å; L1003-Y1023 HydrophobicContact CD2-CD1 4.26Å; L1003-F1036 HydrophobicContact CD1-CB 4.39Å; L1003-I1038 HydrophobicContact CB-CD1 4.33Å; L1003-I1038 HydrophobicContact CB-CG1 4.41Å; L1003-I1038 HydrophobicContact CD1-CB 4.07Å; L1003-I1038 HydrophobicContact CD1-CD1 4.46Å
1004Q91.6Very high77.8Confident23 Ų2383.8 Ų83.811%0.10742%0.418CS..EExtended strand (participates in β ladder)trans-126.2148.1179.8-47.6-171.9-25.400111.8F1012 I1013 P1014 F1036 R1037 F1049Q1004-F1012 HydrophobicContact CB-CB 3.93Å; Q1004-F1012 HydrophobicContact CB-CD1 4.34Å; Q1004-F1012 VanDerWaalsContact OE1-CB 3.3Å; Q1004-I1013 CarbonylContact C-O 3.53Å; Q1004-I1013 WeakPolarHBondContact CA-O 3.5Å; Q1004-P1014 HydrophobicContact CG-CB 4.32Å; Q1004-F1036 CarbonylContact O-C 3.57Å; Q1004-F1036 WeakPolarHBondContact O-CA 3.34Å; Q1004-R1037 HydrophobicContact CB-CG 4.19Å; Q1004-R1037 PolarHBondContact N-O 2.97Å; Q1004-R1037 PolarHBondContact O-N 3.12Å; Q1004-R1037 VanDerWaalsContact OE1-CZ 3.28Å; Q1004-F1049 HydrophobicContact CG-CE1 4.33Å
1005I90.4Very high79.6Confident30 Ų3079.8 Ų79.815%0.15440%0.4CS..EExtended strand (participates in β ladder)trans-112.7146.2172.5-164.1175.6000110.6F1012 I1013 I1015 Y1034 S1035 F1036I1005-F1012 CarbonylContact O-C 3.51Å; I1005-F1012 WeakPolarHBondContact O-CA 3.41Å; I1005-I1013 PolarHBondContact N-O 2.99Å; I1005-I1013 PolarHBondContact O-N 3.03Å; I1005-I1015 HydrophobicContact CB-CD1 4.05Å; I1005-I1015 HydrophobicContact CB-CG1 4.41Å; I1005-I1015 HydrophobicContact CB-CG2 4.18Å; I1005-I1015 HydrophobicContact CG2-CG2 3.51Å; I1005-Y1034 HydrophobicContact CD1-CD1 4.47Å; I1005-S1035 CarbonylContact C-O 3.46Å; I1005-S1035 WeakPolarHBondContact CA-O 3.16Å; I1005-S1035 WeakPolarHBondContact CG1-O 3.12Å; I1005-F1036 HydrophobicContact CB-CD1 3.88Å; I1005-F1036 HydrophobicContact CB-CE1 3.88Å; I1005-F1036 HydrophobicContact CD1-CD1 4.32Å; I1005-F1036 HydrophobicContact CD1-CE1 3.5Å; I1005-F1036 HydrophobicContact CD1-CZ 3.72Å; I1005-F1036 HydrophobicContact CG1-CD1 3.77Å; I1005-F1036 HydrophobicContact CG1-CE1 3.46Å; I1005-F1036 VanDerWaalsContact CG1-CE1 3.46Å; I1005-F1036 HydrophobicContact CG1-CG 4.47Å; I1005-F1036 HydrophobicContact CG1-CZ 3.92Å
1006E90.9Very high81.7Confident54 Ų5477.3 Ų77.325%0.25237%0.37SS..EExtended strand (participates in β ladder)trans-75.1129.2171.3-169.1-179.6-167.900111.4K1010 R1011 F1012 S1035E1006-K1010 WeakPolarHBondContact OE1-CB 3.28Å; E1006-K1010 WeakPolarHBondContact OE1-CG 3.37Å; E1006-R1011 WeakPolarHBondContact CA-O 3.33Å; E1006-F1012 HydrophobicContact CB-CD1 4.29Å; E1006-F1012 HydrophobicContact CB-CE1 3.83Å; E1006-F1012 HydrophobicContact CB-CZ 4.06Å; E1006-F1012 HydrophobicContact CG-CZ 4.38Å; E1006-S1035 PolarHBondContact N-O 3.19Å; E1006-S1035 WeakPolarHBondContact OE2-CB 3.33Å; E1006-S1035 PolarHBondContact OE2-OG 2.94Å
1007D84.3Confident83.4Confident44 Ų4481.7 Ų81.724%0.23538%0.379CS..  trans-90.8178.7175.696.4-40.9000113.1N1009 K1010 R1011 I1013D1007-N1009 VanDerWaalsContact CG-N 3.31Å; D1007-N1009 PolarHBondContact O-N 2.81Å; D1007-N1009 VanDerWaalsContact O-N 3.08Å; D1007-N1009 VanDerWaalsContact OD1-C 3.27Å; D1007-N1009 VanDerWaalsContact OD1-CA 3.28Å; D1007-N1009 WeakPolarHBondContact OD1-CA 3.12Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.39Å; D1007-N1009 PolarHBondContact OD1-N 2.91Å; D1007-N1009 PolarHBondContact OD2-N 2.84Å; D1007-N1009 PolarHBondContact OD2-ND2 2.84Å; D1007-K1010 PolarHBondContact O-N 3.29Å; D1007-K1010 PolarHBondContact OD1-N 2.89Å; D1007-K1010 VanDerWaalsContact OD1-N 3.15Å; D1007-R1011 PolarHBondContact N-O 3.13Å; D1007-R1011 WeakPolarHBondContact OD1-CB 3.34Å; D1007-R1011 PolarHBondContact OD1-N 3.39Å; D1007-I1013 HydrophobicContact CB-CD1 3.73Å; D1007-I1013 HydrophobicContact CB-CG1 4.35Å
1008R78.7Confident84.8Confident250 Ų25074.5 Ų74.594%0.94334%0.343SS*.THydrogen-bonded Turntrans-63-14.3178-66.8-173.8179.8-173.40.3114.3
1009N84.6Confident85.6Confident121 Ų12173.4 Ų73.465%0.64734%0.341SS*.THydrogen-bonded Turntrans-102.912.2178.6-52.5-73.2000112.4D1007 R1011D1007-N1009 VanDerWaalsContact CG-N 3.31Å; D1007-N1009 PolarHBondContact O-N 2.81Å; D1007-N1009 VanDerWaalsContact O-N 3.08Å; D1007-N1009 VanDerWaalsContact OD1-C 3.27Å; D1007-N1009 VanDerWaalsContact OD1-CA 3.28Å; D1007-N1009 WeakPolarHBondContact OD1-CA 3.12Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.39Å; D1007-N1009 PolarHBondContact OD1-N 2.91Å; D1007-N1009 PolarHBondContact OD2-N 2.84Å; D1007-N1009 PolarHBondContact OD2-ND2 2.84Å; N1009-R1011 VanDerWaalsContact C-N 3.29Å; N1009-R1011 PolarHBondContact O-N 2.97Å
1010K80.4Confident85.9Confident167 Ų16774 Ų7473%0.72635%0.349SS*.SBendtrans60.229.7-174.9-54.9-160.4173.4-165.50114.8E1006 D1007E1006-K1010 WeakPolarHBondContact OE1-CB 3.28Å; E1006-K1010 WeakPolarHBondContact OE1-CG 3.37Å; D1007-K1010 PolarHBondContact O-N 3.29Å; D1007-K1010 PolarHBondContact OD1-N 2.89Å; D1007-K1010 VanDerWaalsContact OD1-N 3.15Å
1011R84.8Confident86Confident183 Ų18376.1 Ų76.169%0.69136%0.356SS*.  trans-98.4134.4173-63.1-176.3175.7-168-2.4109.9E1006 D1007 N1009 I1013E1006-R1011 WeakPolarHBondContact CA-O 3.33Å; D1007-R1011 PolarHBondContact N-O 3.13Å; D1007-R1011 WeakPolarHBondContact OD1-CB 3.34Å; D1007-R1011 PolarHBondContact OD1-N 3.39Å; N1009-R1011 VanDerWaalsContact C-N 3.29Å; N1009-R1011 PolarHBondContact O-N 2.97Å; R1011-I1013 PolarHBondContact O-N 2.86Å
1012F87.1Confident85.9Confident45 Ų4577.6 Ų77.620%0.19737%0.367CS..EExtended strand (participates in β ladder)trans-81.8115.1171.5-74.9-81.2000110.3Q1004 I1005 E1006 R1037 I1052Q1004-F1012 HydrophobicContact CB-CB 3.93Å; Q1004-F1012 HydrophobicContact CB-CD1 4.34Å; Q1004-F1012 VanDerWaalsContact OE1-CB 3.3Å; I1005-F1012 CarbonylContact O-C 3.51Å; I1005-F1012 WeakPolarHBondContact O-CA 3.41Å; E1006-F1012 HydrophobicContact CB-CD1 4.29Å; E1006-F1012 HydrophobicContact CB-CE1 3.83Å; E1006-F1012 HydrophobicContact CB-CZ 4.06Å; E1006-F1012 HydrophobicContact CG-CZ 4.38Å; F1012-R1037 HydrophobicContact CD1-CG 3.77Å; F1012-R1037 HydrophobicContact CE1-CB 4.49Å; F1012-R1037 HydrophobicContact CE1-CG 4.15Å; F1012-R1037 HydrophobicContact CG-CG 4.11Å; F1012-I1052 HydrophobicContact CE1-CG1 4.39Å; F1012-I1052 HydrophobicContact CE1-CG2 4.19Å; F1012-I1052 HydrophobicContact CE2-CD1 3.7Å; F1012-I1052 HydrophobicContact CE2-CG1 4.18Å; F1012-I1052 HydrophobicContact CZ-CB 4.37Å; F1012-I1052 HydrophobicContact CZ-CD1 3.62Å; F1012-I1052 HydrophobicContact CZ-CG1 3.7Å; F1012-I1052 HydrophobicContact CZ-CG2 3.71Å
1013I86.7Confident86Confident83 Ų8381.1 Ų81.143%0.42638%0.38SS..EExtended strand (participates in β ladder)trans-107.9129.1-178.5-55.8179.8000108.7Q1004 I1005 D1007 R1011 I1015Q1004-I1013 CarbonylContact C-O 3.53Å; Q1004-I1013 WeakPolarHBondContact CA-O 3.5Å; I1005-I1013 PolarHBondContact N-O 2.99Å; I1005-I1013 PolarHBondContact O-N 3.03Å; D1007-I1013 HydrophobicContact CB-CD1 3.73Å; D1007-I1013 HydrophobicContact CB-CG1 4.35Å; R1011-I1013 PolarHBondContact O-N 2.86Å; I1013-I1015 PolarHBondContact O-N 2.97Å
1014P87.1Confident85.9Confident81 Ų8186.4 Ų86.453%0.52640%0.403SS..EExtended strand (participates in β ladder)trans-62.8127.3176.826.2-33.7000111.7I1002 L1003 Q1004I1002-P1014 HydrophobicContact CG2-CB 4.37Å; L1003-P1014 WeakPolarHBondContact O-CA 3.41Å; Q1004-P1014 HydrophobicContact CG-CB 4.32Å
1015I87.9Confident85.8Confident47 Ų4786.5 Ų86.524%0.24140%0.404CS..EExtended strand (participates in β ladder)trans-114.3-12.9177.152.1160.9000112.9L1003 I1005 I1013 Y1023 I1025 F1036L1003-I1015 HydrophobicContact CD2-CD1 3.64Å; L1003-I1015 HydrophobicContact CD2-CG1 3.92Å; L1003-I1015 HydrophobicContact CG-CD1 4.11Å; L1003-I1015 HydrophobicContact CG-CG1 4.02Å; L1003-I1015 PolarHBondContact O-N 2.6Å; I1005-I1015 HydrophobicContact CB-CD1 4.05Å; I1005-I1015 HydrophobicContact CB-CG1 4.41Å; I1005-I1015 HydrophobicContact CB-CG2 4.18Å; I1005-I1015 HydrophobicContact CG2-CG2 3.51Å; I1013-I1015 PolarHBondContact O-N 2.97Å; I1015-Y1023 HydrophobicContact CB-CE1 4.39Å; I1015-Y1023 HydrophobicContact CD1-CD1 4.3Å; I1015-Y1023 HydrophobicContact CD1-CE1 4.11Å; I1015-Y1023 PolarHBondContact O-OH 3.38Å; I1015-I1025 HydrophobicContact CD1-CG1 4.27Å; I1015-F1036 HydrophobicContact CD1-CD1 3.99Å; I1015-F1036 HydrophobicContact CD1-CE1 3.83Å
1016Y88.6Confident85.6Confident48 Ų4891 Ų9119%0.18842%0.424CS..EExtended strand (participates in β ladder)trans-151.3141171.3178-97.8000111.1W986 I1002 L1003 G1018 S1020 Y1023W986-Y1016 AromaticContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CG 4.41Å; W986-Y1016 AromaticContact CZ2-CD1 3.6Å; W986-Y1016 HydrophobicContact CZ2-CD1 3.6Å; W986-Y1016 AromaticContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CG 4.47Å; I1002-Y1016 WeakPolarHBondContact CA-O 3.47Å; L1003-Y1016 PolarHBondContact N-O 3.01Å; L1003-Y1016 PolarHBondContact O-N 3.44Å; Y1016-G1018 WeakPolarHBondContact CE1-O 3.28Å; Y1016-G1018 VanDerWaalsContact OH-CA 3.32Å; Y1016-G1018 WeakPolarHBondContact OH-CA 3.45Å; Y1016-S1020 WeakPolarHBondContact OH-CB 3.47Å; Y1016-S1020 PolarHBondContact OH-N 2.88Å; Y1016-Y1023 AromaticContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CE2 4.19Å; Y1016-Y1023 HydrophobicContact CG-CD2 4.34Å
1017R88.6Confident85.3Confident157 Ų15799.7 Ų99.759%0.59246%0.455SS*.EExtended strand (participates in β ladder)trans-137132.6166.7179.4165.2-168.5155.210.4109V1000 Y1001 I1002 E1046V1000-R1017 HydrophobicContact CG1-CG 3.89Å; Y1001-R1017 CarbonylContact O-C 3.54Å; Y1001-R1017 VanDerWaalsContact O-CA 3.26Å; Y1001-R1017 WeakPolarHBondContact O-CA 3.39Å; I1002-R1017 HydrophobicContact CG1-CG 4.07Å; R1017-E1046 IonicContact NH2-OE1 3.23Å
1018G82.6Confident85.4Confident10 Ų1098.2 Ų98.210%0.10345%0.447CS..EExtended strand (participates in β ladder)trans143-172.8178.600000114.2Y1001 Y1016Y1001-G1018 WeakPolarHBondContact CB-O 3.38Å; Y1001-G1018 PolarHBondContact N-O 3.32Å; Y1001-G1018 PolarHBondContact O-N 3.33Å; Y1016-G1018 WeakPolarHBondContact CE1-O 3.28Å; Y1016-G1018 VanDerWaalsContact OH-CA 3.32Å; Y1016-G1018 WeakPolarHBondContact OH-CA 3.45Å
1019P81.3Confident85.5Confident84 Ų8490.1 Ų90.155%0.54543%0.425SS..SBendtrans-86.3-1.4-172.733.7-36.8000115.2H1021P1019-H1021 PolarHBondContact O-ND1 3.22Å
1020S81.4Confident85.4Confident46 Ų4686.2 Ų86.232%0.32240%0.403SS..  trans-65.5142177.4-176.30000111.1W986 Y1016 T1022W986-S1020 WeakPolarHBondContact CZ2-O 3.48Å; W986-S1020 PolarHBondContact NE1-O 3.14Å; Y1016-S1020 WeakPolarHBondContact OH-CB 3.47Å; Y1016-S1020 PolarHBondContact OH-N 2.88Å; S1020-T1022 PolarHBondContact OG-N 3.37Å; S1020-T1022 PolarHBondContact OG-O 3.5Å
1021H83.4Confident85.3Confident91 Ų9181.7 Ų81.742%0.42139%0.393SS..SBendtrans-972.7176.1-68.266000113.1K985 W986 Y1001 P1019K985-H1021 CarbonylContact C-O 3.6Å; K985-H1021 WeakPolarHBondContact CA-O 3.38Å; W986-H1021 PolarHBondContact N-O 3.25Å; Y1001-H1021 AromaticContact CE2-CE1 3.49Å; Y1001-H1021 VanDerWaalsContact CE2-CE1 3.49Å; Y1001-H1021 WeakPolarHBondContact CE2-CE1 3.37Å; Y1001-H1021 AromaticContact CE2-ND1 3.85Å; Y1001-H1021 AromaticContact CE2-NE2 3.59Å; Y1001-H1021 AromaticContact CZ-NE2 3.7Å; Y1001-H1021 PolarHBondContact OH-NE2 3.06Å; P1019-H1021 PolarHBondContact O-ND1 3.22Å
1022T85.1Confident85.2Confident53 Ų5375.2 Ų75.233%0.32537%0.374SS..EExtended strand (participates in β ladder)trans-145.9154175.874.40000113.1L984 K985 S1020L984-T1022 WeakPolarHBondContact O-CA 3.24Å; L984-T1022 WeakPolarHBondContact O-CB 3.24Å; K985-T1022 HydrophobicContact CB-CG2 3.91Å; K985-T1022 HydrophobicContact CD-CG2 4.32Å; K985-T1022 HydrophobicContact CG-CG2 3.98Å; S1020-T1022 PolarHBondContact OG-N 3.37Å; S1020-T1022 PolarHBondContact OG-O 3.5Å
1023Y90.4Very high85.1Confident86 Ų8676.5 Ų76.534%0.33739%0.387SS..EExtended strand (participates in β ladder)trans-151.8150.4176.6-172.9-111.3000112L984 L1003 I1015 Y1016 I1025L984-Y1023 PolarHBondContact N-O 2.89Å; L984-Y1023 PolarHBondContact O-N 3Å; L1003-Y1023 HydrophobicContact CD2-CD1 4.26Å; I1015-Y1023 HydrophobicContact CB-CE1 4.39Å; I1015-Y1023 HydrophobicContact CD1-CD1 4.3Å; I1015-Y1023 HydrophobicContact CD1-CE1 4.11Å; I1015-Y1023 PolarHBondContact O-OH 3.38Å; Y1016-Y1023 AromaticContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CE2 4.19Å; Y1016-Y1023 HydrophobicContact CG-CD2 4.34Å; Y1023-I1025 HydrophobicContact CD1-CD1 4.16Å; Y1023-I1025 HydrophobicContact CD1-CG1 4.13Å; Y1023-I1025 HydrophobicContact CE1-CG1 4.13Å
1024K88.3Confident85.1Confident112 Ų11275 Ų7549%0.48738%0.376SS..EExtended strand (participates in β ladder)trans-123.7120.8-177.1-173.9-177.9179.8-176.90111.3K983 Q1026K983-K1024 HydrophobicContact CB-CB 4.47Å; K983-K1024 HydrophobicContact CB-CG 4.29Å; K983-K1024 HydrophobicContact CG-CB 4.28Å; K1024-Q1026 HydrophobicContact CG-CG 4.4Å
1025I89.6Confident85.2Confident24 Ų2471.9 Ų71.912%0.12336%0.357CS..EExtended strand (participates in β ladder)trans-96.6138.6175.8-48.690000109.1S981 L982 L984 I1015 Y1023 L1028 F1036S981-I1025 VanDerWaalsContact CA-O 3.24Å; S981-I1025 WeakPolarHBondContact CA-O 3.32Å; S981-I1025 WeakPolarHBondContact CB-O 3.38Å; L982-I1025 PolarHBondContact N-O 2.94Å; L982-I1025 PolarHBondContact O-N 3.49Å; L982-I1025 VanDerWaalsContact O-O 3.14Å; L984-I1025 HydrophobicContact CD1-CD1 3.94Å; L984-I1025 HydrophobicContact CG-CD1 3.85Å; I1015-I1025 HydrophobicContact CD1-CG1 4.27Å; Y1023-I1025 HydrophobicContact CD1-CD1 4.16Å; Y1023-I1025 HydrophobicContact CD1-CG1 4.13Å; Y1023-I1025 HydrophobicContact CE1-CG1 4.13Å; I1025-L1028 HydrophobicContact CG2-CD1 4.46Å; I1025-L1028 HydrophobicContact CG2-CD2 3.85Å; I1025-L1028 HydrophobicContact CG2-CG 4.35Å; I1025-F1036 HydrophobicContact CD1-CE1 4.01Å; I1025-F1036 HydrophobicContact CD1-CZ 4.19Å; I1025-F1036 HydrophobicContact CG1-CE1 4.3Å
1026Q86.6Confident85.4Confident125 Ų12569.6 Ų69.658%0.58435%0.345SS*.EExtended strand (participates in β ladder)trans-132.5172.8-178.8-61.9-173.7-69.500111.1Q980 K1024 L1028Q980-Q1026 CarbonylContact O-C 3.6Å; K1024-Q1026 HydrophobicContact CG-CG 4.4Å; Q1026-L1028 VanDerWaalsContact C-N 3.28Å; Q1026-L1028 PolarHBondContact O-N 2.88Å
1027R84.9Confident85.5Confident236 Ų23670.5 Ų70.589%0.89135%0.348SS*.SBendtrans65.428.1-177.4-42.5179.5-161.8151.95113.6Q980Q980-R1027 PolarHBondContact O-N 2.84Å
1028L85.9Confident85.5Confident14 Ų1463 Ų637%0.07332%0.32CS..PPolyproline II helixtrans-76.7161.4173-54-179.2000110.2Q980 L982 I1025 Q1026 Y1034 T1057Q980-L1028 VanDerWaalsContact CA-O 3.3Å; Q980-L1028 WeakPolarHBondContact CA-O 3.36Å; Q980-L1028 WeakPolarHBondContact CB-O 3.5Å; Q980-L1028 WeakPolarHBondContact CG-O 3.36Å; Q980-L1028 PolarHBondContact O-N 3.5Å; L982-L1028 HydrophobicContact CB-CD1 3.94Å; L982-L1028 HydrophobicContact CD1-CD1 3.64Å; L982-L1028 HydrophobicContact CG-CD1 3.57Å; I1025-L1028 HydrophobicContact CG2-CD1 4.46Å; I1025-L1028 HydrophobicContact CG2-CD2 3.85Å; I1025-L1028 HydrophobicContact CG2-CG 4.35Å; Q1026-L1028 VanDerWaalsContact C-N 3.28Å; Q1026-L1028 PolarHBondContact O-N 2.88Å; L1028-Y1034 HydrophobicContact CB-CE2 3.91Å; L1028-Y1034 HydrophobicContact CD1-CD2 4.18Å; L1028-Y1034 HydrophobicContact CD1-CE2 4.05Å; L1028-Y1034 HydrophobicContact CD2-CD1 4.47Å; L1028-Y1034 HydrophobicContact CD2-CD2 4.31Å; L1028-Y1034 HydrophobicContact CD2-CE1 4.04Å; L1028-Y1034 HydrophobicContact CD2-CE2 3.88Å; L1028-Y1034 HydrophobicContact CG-CE2 4.16Å; L1028-T1057 HydrophobicContact CB-CG2 3.8Å; L1028-T1057 HydrophobicContact CD1-CG2 3.96Å
1029T81Confident85.8Confident79 Ų7963 Ų6349%0.48532%0.317SS..PPolyproline II helixtrans-86.9148.8174.4-57.30000110.1P979 T1032 Y1034 T1057P979-T1029 CarbonylContact O-C 3.58Å; T1029-T1032 WeakPolarHBondContact O-CB 3.4Å; T1029-Y1034 PolarHBondContact N-OH 3.47Å; T1029-T1057 WeakPolarHBondContact O-CB 3.31Å; T1029-T1057 PolarHBondContact O-OG1 3.48Å
1030E81.3Confident85.9Confident39 Ų3959.1 Ų59.118%0.18229%0.292CS..THydrogen-bonded Turntrans-64.6149.5175.652.7159.6-152.400112.2P979 T1032 T1058 S1060 K1089P979-E1030 HydrophobicContact CB-CB 4.29Å; P979-E1030 WeakPolarHBondContact O-CA 3.36Å; P979-E1030 PolarHBondContact O-N 3.44Å; P979-E1030 VanDerWaalsContact O-N 3.15Å; E1030-T1032 VanDerWaalsContact C-N 3.26Å; E1030-T1032 PolarHBondContact O-N 2.93Å; E1030-T1032 PolarHBondContact O-OG1 2.98Å; E1030-T1058 VanDerWaalsContact CB-O 3.3Å; E1030-T1058 WeakPolarHBondContact CB-O 3.29Å; E1030-S1060 WeakPolarHBondContact OE2-CB 3.39Å; E1030-S1060 PolarHBondContact OE2-OG 3.16Å; E1030-K1089 WeakPolarHBondContact OE1-CD 3.42Å; E1030-K1089 WeakPolarHBondContact OE1-CE 3.38Å; E1030-K1089 IonicContact OE1-NZ 2.63Å; E1030-K1089 PolarHBondContact OE1-NZ 2.85Å
1031S79.4Confident85.9Confident73 Ų7358 Ų5851%0.5128%0.284SS..THydrogen-bonded Turntrans51.936.9-179.7-1650000115T1057 T1058S1031-T1057 WeakPolarHBondContact CA-O 3.41Å; S1031-T1057 PolarHBondContact N-OG1 2.83Å; S1031-T1058 PolarHBondContact N-O 3.15Å
1032T81.6Confident85.7Confident47 Ų4755.1 Ų55.129%0.28827%0.271SS..  trans-127.9142.9-173.6-54.70000111.3T1029 E1030 Y1034 C1056 T1057T1029-T1032 WeakPolarHBondContact O-CB 3.4Å; E1030-T1032 VanDerWaalsContact C-N 3.26Å; E1030-T1032 PolarHBondContact O-N 2.93Å; E1030-T1032 PolarHBondContact O-OG1 2.98Å; T1032-Y1034 HydrophobicContact CG2-CE2 3.87Å; T1032-C1056 VanDerWaalsContact O-CA 3.29Å; T1032-C1056 WeakPolarHBondContact O-CA 3.33Å; T1032-T1057 PolarHBondContact N-OG1 2.81Å; T1032-T1057 PolarHBondContact O-N 3.15Å; T1032-T1057 PolarHBondContact O-OG1 3.2Å
1033C85.1Confident85Confident71 Ų7158.3 Ų58.348%0.4829%0.286SS..EExtended strand (participates in β ladder)trans-109.7150.6-175.5-55.50000113.4T1054 F1055 C1056C1033-T1054 HydrophobicContact CB-CG2 4.07Å; C1033-F1055 CarbonylContact C-O 3.54Å; C1033-F1055 VanDerWaalsContact CA-O 3.3Å; C1033-F1055 WeakPolarHBondContact CA-O 3.23Å; C1033-C1056 HydrophobicContact CB-CB 4.02Å; C1033-C1056 WeakPolarHBondContact CB-SG 3.32Å; C1033-C1056 WeakPolarHBondContact SG-CB 3.38Å; C1033-C1056 CovalentContact SG-SG 2.04Å; C1033-C1056 PolarHBondContact SG-SG 3.08Å
1034Y87.4Confident83.8Confident51 Ų5155.8 Ų55.820%0.228%0.283CS..EExtended strand (participates in β ladder)trans-143.4141.7-175.9-57.5-93.3000111.2L982 I1005 L1028 T1029 T1032 F1036 T1054 F1055L982-Y1034 HydrophobicContact CD1-CD2 4.17Å; I1005-Y1034 HydrophobicContact CD1-CD1 4.47Å; L1028-Y1034 HydrophobicContact CB-CE2 3.91Å; L1028-Y1034 HydrophobicContact CD1-CD2 4.18Å; L1028-Y1034 HydrophobicContact CD1-CE2 4.05Å; L1028-Y1034 HydrophobicContact CD2-CD1 4.47Å; L1028-Y1034 HydrophobicContact CD2-CD2 4.31Å; L1028-Y1034 HydrophobicContact CD2-CE1 4.04Å; L1028-Y1034 HydrophobicContact CD2-CE2 3.88Å; L1028-Y1034 HydrophobicContact CG-CE2 4.16Å; T1029-Y1034 PolarHBondContact N-OH 3.47Å; T1032-Y1034 HydrophobicContact CG2-CE2 3.87Å; Y1034-F1036 WeakPolarHBondContact O-CE2 3.35Å; Y1034-T1054 CarbonylContact O-C 3.56Å; Y1034-T1054 VanDerWaalsContact O-CA 3.31Å; Y1034-T1054 WeakPolarHBondContact O-CA 3.36Å; Y1034-F1055 PolarHBondContact N-O 2.85Å; Y1034-F1055 PolarHBondContact O-N 2.93Å
1035S89.6Confident82.9Confident16 Ų1651.9 Ų51.911%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-105.6148.9-176.7-37.10000113.2I1005 E1006 C1053 T1054I1005-S1035 CarbonylContact C-O 3.46Å; I1005-S1035 WeakPolarHBondContact CA-O 3.16Å; I1005-S1035 WeakPolarHBondContact CG1-O 3.12Å; E1006-S1035 PolarHBondContact N-O 3.19Å; E1006-S1035 WeakPolarHBondContact OE2-CB 3.33Å; E1006-S1035 PolarHBondContact OE2-OG 2.94Å; S1035-C1053 CarbonylContact C-O 3.56Å; S1035-C1053 WeakPolarHBondContact CA-O 3.33Å; S1035-T1054 PolarHBondContact OG-OG1 3Å
1036F91.2Very high82.4Confident0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-145.2157.6-173.3-57.1-94.9000112.8L972 L982 L984 L1003 Q1004 I1005 I1015 I1025 Y1034 I1052 C1053 F1055L972-F1036 HydrophobicContact CD2-CB 3.79Å; L982-F1036 HydrophobicContact CD1-CE2 4.31Å; L982-F1036 HydrophobicContact CD1-CZ 4.43Å; L984-F1036 HydrophobicContact CD1-CB 4.31Å; L984-F1036 HydrophobicContact CD1-CD1 3.58Å; L984-F1036 HydrophobicContact CD1-CD2 3.88Å; L984-F1036 HydrophobicContact CD1-CE1 3.71Å; L984-F1036 HydrophobicContact CD1-CE2 4.02Å; L984-F1036 HydrophobicContact CD1-CG 3.66Å; L984-F1036 HydrophobicContact CD1-CZ 3.94Å; L1003-F1036 HydrophobicContact CD1-CB 4.39Å; Q1004-F1036 CarbonylContact O-C 3.57Å; Q1004-F1036 WeakPolarHBondContact O-CA 3.34Å; I1005-F1036 HydrophobicContact CB-CD1 3.88Å; I1005-F1036 HydrophobicContact CB-CE1 3.88Å; I1005-F1036 HydrophobicContact CD1-CD1 4.32Å; I1005-F1036 HydrophobicContact CD1-CE1 3.5Å; I1005-F1036 HydrophobicContact CD1-CZ 3.72Å; I1005-F1036 HydrophobicContact CG1-CD1 3.77Å; I1005-F1036 HydrophobicContact CG1-CE1 3.46Å; I1005-F1036 VanDerWaalsContact CG1-CE1 3.46Å; I1005-F1036 HydrophobicContact CG1-CG 4.47Å; I1005-F1036 HydrophobicContact CG1-CZ 3.92Å; I1015-F1036 HydrophobicContact CD1-CD1 3.99Å; I1015-F1036 HydrophobicContact CD1-CE1 3.83Å; I1025-F1036 HydrophobicContact CD1-CE1 4.01Å; I1025-F1036 HydrophobicContact CD1-CZ 4.19Å; I1025-F1036 HydrophobicContact CG1-CE1 4.3Å; Y1034-F1036 WeakPolarHBondContact O-CE2 3.35Å; F1036-I1052 CarbonylContact O-C 3.55Å; F1036-I1052 WeakPolarHBondContact O-CA 3.33Å; F1036-C1053 PolarHBondContact N-O 2.73Å; F1036-C1053 PolarHBondContact O-N 2.93Å; F1036-F1055 AromaticContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CE2 4.28Å; F1036-F1055 HydrophobicContact CE2-CD2 4.05Å
1037R90.1Very high82Confident67 Ų6750.3 Ų50.325%0.25327%0.268SS..EExtended strand (participates in β ladder)trans-150.8161.1169.570.1179.4-172.7162.43.9111.8Q1004 F1012 F1049 I1052Q1004-R1037 HydrophobicContact CB-CG 4.19Å; Q1004-R1037 PolarHBondContact N-O 2.97Å; Q1004-R1037 PolarHBondContact O-N 3.12Å; Q1004-R1037 VanDerWaalsContact OE1-CZ 3.28Å; F1012-R1037 HydrophobicContact CD1-CG 3.77Å; F1012-R1037 HydrophobicContact CE1-CB 4.49Å; F1012-R1037 HydrophobicContact CE1-CG 4.15Å; F1012-R1037 HydrophobicContact CG-CG 4.11Å; R1037-F1049 HydrophobicContact CG-CD1 4.14Å; R1037-I1052 HydrophobicContact CB-CG1 4.36Å
1038I89.6Confident81.8Confident0 Ų042.8 Ų42.80%025%0.25CC..EExtended strand (participates in β ladder)trans-146.5148.5-173.9-174.2168.8000113.7P970 L972 W986 I1002 L1003 F1049 S1050P970-I1038 HydrophobicContact CG-CD1 4.27Å; P970-I1038 HydrophobicContact CG-CG1 3.98Å; P970-I1038 HydrophobicContact CG-CG2 4.02Å; P970-I1038 WeakPolarHBondContact O-CG2 3.44Å; L972-I1038 HydrophobicContact CB-CG2 3.94Å; L972-I1038 HydrophobicContact CD1-CG2 4.49Å; L972-I1038 HydrophobicContact CD2-CG2 4.22Å; L972-I1038 HydrophobicContact CG-CG2 4.45Å; W986-I1038 HydrophobicContact CB-CD1 3.86Å; W986-I1038 HydrophobicContact CD2-CD1 3.38Å; W986-I1038 HydrophobicContact CE3-CD1 4.1Å; W986-I1038 HydrophobicContact CG-CD1 3.27Å; W986-I1038 HydrophobicContact CZ2-CD1 4.24Å; I1002-I1038 VanDerWaalsContact O-CA 3.26Å; I1002-I1038 WeakPolarHBondContact O-CA 3.44Å; I1002-I1038 WeakPolarHBondContact O-CG1 3.29Å; L1003-I1038 HydrophobicContact CB-CD1 4.33Å; L1003-I1038 HydrophobicContact CB-CG1 4.41Å; L1003-I1038 HydrophobicContact CD1-CB 4.07Å; L1003-I1038 HydrophobicContact CD1-CD1 4.46Å; I1038-F1049 CarbonylContact O-C 3.6Å; I1038-F1049 WeakPolarHBondContact O-CA 3.38Å; I1038-S1050 WeakPolarHBondContact CG2-OG 3.3Å; I1038-S1050 PolarHBondContact N-OG 2.59Å; I1038-S1050 WeakPolarHBondContact O-CB 3.34Å; I1038-S1050 PolarHBondContact O-N 2.81Å; I1038-S1050 PolarHBondContact O-OG 2.93Å
1039Q88.1Confident81.7Confident9 Ų945.6 Ų45.64%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-128.7171168.276.918038.300112.4Y1001 I1002 E1046 P1048 F1049Y1001-Q1039 VanDerWaalsContact CA-O 3.31Å; Y1001-Q1039 WeakPolarHBondContact CA-O 3.25Å; I1002-Q1039 HydrophobicContact CB-CG 4.13Å; I1002-Q1039 HydrophobicContact CD1-CG 4.4Å; I1002-Q1039 HydrophobicContact CG1-CG 4.38Å; I1002-Q1039 PolarHBondContact N-O 2.85Å; I1002-Q1039 PolarHBondContact O-N 2.6Å; I1002-Q1039 VanDerWaalsContact O-N 3.08Å; Q1039-E1046 VanDerWaalsContact NE2-CD 3.28Å; Q1039-E1046 PolarHBondContact NE2-OE2 3.33Å; Q1039-P1048 WeakPolarHBondContact CB-O 3.23Å; Q1039-F1049 HydrophobicContact CB-CD1 3.84Å; Q1039-F1049 HydrophobicContact CB-CE1 4.15Å; Q1039-F1049 HydrophobicContact CB-CG 4.19Å; Q1039-F1049 HydrophobicContact CG-CD1 4.26Å; Q1039-F1049 HydrophobicContact CG-CE1 4.05Å; Q1039-F1049 HydrophobicContact CG-CZ 4.42Å
1040A84.1Confident81.9Confident3 Ų342.9 Ų42.93%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-125.1158.3174.200000111.3P967 P970 V1000 Y1001 G1047P967-A1040 HydrophobicContact CB-CB 4.33Å; P967-A1040 HydrophobicContact CG-CB 4.15Å; P970-A1040 HydrophobicContact CG-CB 4.26Å; V1000-A1040 CarbonylContact O-C 3.58Å; V1000-A1040 WeakPolarHBondContact O-CA 3.18Å; Y1001-A1040 HydrophobicContact CD1-CB 3.82Å; Y1001-A1040 HydrophobicContact CE1-CB 3.86Å; A1040-G1047 WeakPolarHBondContact O-CA 3.48Å; A1040-G1047 PolarHBondContact O-N 2.85Å
1041V82.1Confident82Confident23 Ų2349.1 Ų49.114%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-141.7142.8-175.9-175.20000109.7M999 V1000 E1046M999-V1041 WeakPolarHBondContact CA-O 3.35Å; V1000-V1041 HydrophobicContact CB-CB 4.45Å; V1000-V1041 PolarHBondContact N-O 2.87Å; V1000-V1041 PolarHBondContact O-N 2.89Å; V1041-E1046 HydrophobicContact CG1-CG 4Å; V1041-E1046 HydrophobicContact CG2-CB 4.11Å; V1041-E1046 HydrophobicContact CG2-CG 3.81Å
1042N78.7Confident82.4Confident29 Ų2950.4 Ų50.416%0.15528%0.275CS..EExtended strand (participates in β ladder)trans-141.5-174.8171.576.2-1.2000111.5L965 P967 A1044 G1045L965-N1042 PolarHBondContact O-ND2 3.44Å; P967-N1042 WeakPolarHBondContact CD-OD1 3.4Å; P967-N1042 HydrophobicContact CG-CB 4.46Å; N1042-A1044 PolarHBondContact O-N 3.01Å; N1042-A1044 WeakPolarHBondContact OD1-CA 3.4Å; N1042-A1044 WeakPolarHBondContact OD1-CB 3.49Å; N1042-A1044 PolarHBondContact OD1-N 2.88Å; N1042-G1045 PolarHBondContact N-O 2.82Å; N1042-G1045 VanDerWaalsContact N-O 3.11Å; N1042-G1045 PolarHBondContact O-N 3.37Å; N1042-G1045 PolarHBondContact OD1-N 2.86Å
1043D69.4Low82.6Confident121 Ų12149.6 Ų49.665%0.64727%0.271SS*.THydrogen-bonded Turntrans-57.8-16.6179.5-58.1-9.8000115.8
1044A65.6Low82.7Confident32 Ų3249.9 Ų49.926%0.26427%0.27SS..THydrogen-bonded Turntrans-94.9-6.3175.500000113.2P964 L965 P966 N1042P964-A1044 HydrophobicContact CG-CB 4.45Å; P964-A1044 WeakPolarHBondContact O-CB 3.2Å; L965-A1044 VanDerWaalsContact C-CB 3.5Å; P966-A1044 HydrophobicContact CG-CB 4.15Å; N1042-A1044 PolarHBondContact O-N 3.01Å; N1042-A1044 WeakPolarHBondContact OD1-CA 3.4Å; N1042-A1044 WeakPolarHBondContact OD1-CB 3.49Å; N1042-A1044 PolarHBondContact OD1-N 2.88Å
1045G69.7Low82.8Confident30 Ų3049.4 Ų49.431%0.30927%0.269SS..EExtended strand (participates in β ladder)trans133.2-173.4172.300000115N1042N1042-G1045 PolarHBondContact N-O 2.82Å; N1042-G1045 VanDerWaalsContact N-O 3.11Å; N1042-G1045 PolarHBondContact O-N 3.37Å; N1042-G1045 PolarHBondContact OD1-N 2.86Å
1046E79.1Confident82.5Confident113 Ų11351.4 Ų51.453%0.52828%0.283SS..EExtended strand (participates in β ladder)trans-76.8125.8173.2-57.5-154.1152.800110.8R1017 Q1039 V1041R1017-E1046 IonicContact NH2-OE1 3.23Å; Q1039-E1046 VanDerWaalsContact NE2-CD 3.28Å; Q1039-E1046 PolarHBondContact NE2-OE2 3.33Å; V1041-E1046 HydrophobicContact CG1-CG 4Å; V1041-E1046 HydrophobicContact CG2-CB 4.11Å; V1041-E1046 HydrophobicContact CG2-CG 3.81Å
1047G77.4Confident82.1Confident4 Ų452 Ų524%0.04129%0.286CS..PPolyproline II helixtrans-78.4163.7169.100000111.9P967 A1040P967-G1047 WeakPolarHBondContact O-CA 3.38Å; A1040-G1047 WeakPolarHBondContact O-CA 3.48Å; A1040-G1047 PolarHBondContact O-N 2.85Å
1048P82.1Confident81.7Confident78 Ų7851.8 Ų51.851%0.50629%0.293SS..PPolyproline II helixtrans-68.9161.2-176.129.9-36000113.2P969 Q1039P969-P1048 HydrophobicContact CB-CG 4.3Å; P969-P1048 WeakPolarHBondContact CB-O 3.43Å; P969-P1048 HydrophobicContact CG-CG 4.2Å; Q1039-P1048 WeakPolarHBondContact CB-O 3.23Å
1049F83.4Confident81.2Confident73 Ų7354.8 Ų54.832%0.3231%0.306SS..PPolyproline II helixtrans-70.2148.4170.4-75-78.1000112.5Q1004 R1037 I1038 Q1039Q1004-F1049 HydrophobicContact CG-CE1 4.33Å; R1037-F1049 HydrophobicContact CG-CD1 4.14Å; I1038-F1049 CarbonylContact O-C 3.6Å; I1038-F1049 WeakPolarHBondContact O-CA 3.38Å; Q1039-F1049 HydrophobicContact CB-CD1 3.84Å; Q1039-F1049 HydrophobicContact CB-CE1 4.15Å; Q1039-F1049 HydrophobicContact CB-CG 4.19Å; Q1039-F1049 HydrophobicContact CG-CD1 4.26Å; Q1039-F1049 HydrophobicContact CG-CE1 4.05Å; Q1039-F1049 HydrophobicContact CG-CZ 4.42Å
1050S84.1Confident80.7Confident21 Ų2156.2 Ų56.215%0.14732%0.316CS..PPolyproline II helixtrans-64.1166.1165.3770000112.3I1038I1038-S1050 WeakPolarHBondContact CG2-OG 3.3Å; I1038-S1050 PolarHBondContact N-OG 2.59Å; I1038-S1050 WeakPolarHBondContact O-CB 3.34Å; I1038-S1050 PolarHBondContact O-N 2.81Å; I1038-S1050 PolarHBondContact O-OG 2.93Å
1051E84.6Confident80.4Confident170 Ų17060.9 Ų60.979%0.79435%0.345SS*.PPolyproline II helixtrans-57.4162.7160.2-60.3-174.4163.700112
1052I88.6Confident80.2Confident100 Ų10060.4 Ų60.451%0.51334%0.342SS..PPolyproline II helixtrans-88.4124-179.4-63.2163.8000109.4F1012 F1036 R1037F1012-I1052 HydrophobicContact CE1-CG1 4.39Å; F1012-I1052 HydrophobicContact CE1-CG2 4.19Å; F1012-I1052 HydrophobicContact CE2-CD1 3.7Å; F1012-I1052 HydrophobicContact CE2-CG1 4.18Å; F1012-I1052 HydrophobicContact CZ-CB 4.37Å; F1012-I1052 HydrophobicContact CZ-CD1 3.62Å; F1012-I1052 HydrophobicContact CZ-CG1 3.7Å; F1012-I1052 HydrophobicContact CZ-CG2 3.71Å; F1036-I1052 CarbonylContact O-C 3.55Å; F1036-I1052 WeakPolarHBondContact O-CA 3.33Å; R1037-I1052 HydrophobicContact CB-CG1 4.36Å
1053C84.6Confident80.1Confident31 Ų3162.4 Ų62.421%0.20936%0.357CS..EExtended strand (participates in β ladder)trans-113.6135.3-178.8-51.40000111.5L972 S1035 F1036 F1055L972-C1053 HydrophobicContact CD2-CB 4.3Å; S1035-C1053 CarbonylContact C-O 3.56Å; S1035-C1053 WeakPolarHBondContact CA-O 3.33Å; F1036-C1053 PolarHBondContact N-O 2.73Å; F1036-C1053 PolarHBondContact O-N 2.93Å; C1053-F1055 HydrophobicContact CB-CE1 4.42Å; C1053-F1055 HydrophobicContact CB-CE2 3.74Å; C1053-F1055 HydrophobicContact CB-CZ 3.58Å
1054T87.9Confident80.4Confident77 Ų7759.8 Ų59.847%0.47235%0.352SS..EExtended strand (participates in β ladder)trans-118133.7-177.4-56.60000111.8C1033 Y1034 S1035C1033-T1054 HydrophobicContact CB-CG2 4.07Å; Y1034-T1054 CarbonylContact O-C 3.56Å; Y1034-T1054 VanDerWaalsContact O-CA 3.31Å; Y1034-T1054 WeakPolarHBondContact O-CA 3.36Å; S1035-T1054 PolarHBondContact OG-OG1 3Å
1055F88.4Confident81.1Confident41 Ų4159.2 Ų59.218%0.1834%0.344CS..EExtended strand (participates in β ladder)trans-137.1150.5-174.5-51.6-65.9000112.2C974 L982 L984 C1033 Y1034 F1036 C1053C974-F1055 HydrophobicContact CB-CB 4.1Å; C974-F1055 HydrophobicContact CB-CD1 3.34Å; C974-F1055 HydrophobicContact CB-CD2 3.96Å; C974-F1055 HydrophobicContact CB-CE1 3.6Å; C974-F1055 HydrophobicContact CB-CE2 4.19Å; C974-F1055 HydrophobicContact CB-CG 3.52Å; C974-F1055 HydrophobicContact CB-CZ 4.02Å; L982-F1055 HydrophobicContact CD1-CB 4.03Å; L982-F1055 HydrophobicContact CD2-CB 4.14Å; L984-F1055 HydrophobicContact CD1-CD2 4.45Å; L984-F1055 HydrophobicContact CD1-CE2 4.43Å; L984-F1055 HydrophobicContact CD2-CD2 3.48Å; L984-F1055 VanDerWaalsContact CD2-CD2 3.48Å; L984-F1055 HydrophobicContact CD2-CE2 3.69Å; L984-F1055 HydrophobicContact CD2-CG 4.25Å; C1033-F1055 CarbonylContact C-O 3.54Å; C1033-F1055 VanDerWaalsContact CA-O 3.3Å; C1033-F1055 WeakPolarHBondContact CA-O 3.23Å; Y1034-F1055 PolarHBondContact N-O 2.85Å; Y1034-F1055 PolarHBondContact O-N 2.93Å; F1036-F1055 AromaticContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CE2 4.28Å; F1036-F1055 HydrophobicContact CE2-CD2 4.05Å; C1053-F1055 HydrophobicContact CB-CE1 4.42Å; C1053-F1055 HydrophobicContact CB-CE2 3.74Å; C1053-F1055 HydrophobicContact CB-CZ 3.58Å
1056C83.4Confident81.5Confident58 Ų5864.1 Ų64.139%0.39236%0.357SS..EExtended strand (participates in β ladder)trans-130.3153.2-168.5-44.70000114.5A977 T1032 C1033A977-C1056 WeakPolarHBondContact CB-O 3.49Å; T1032-C1056 VanDerWaalsContact O-CA 3.29Å; T1032-C1056 WeakPolarHBondContact O-CA 3.33Å; C1033-C1056 HydrophobicContact CB-CB 4.02Å; C1033-C1056 WeakPolarHBondContact CB-SG 3.32Å; C1033-C1056 WeakPolarHBondContact SG-CB 3.38Å; C1033-C1056 CovalentContact SG-SG 2.04Å; C1033-C1056 PolarHBondContact SG-SG 3.08Å
1057T84.1Confident81.7Confident11 Ų1161 Ų617%0.06735%0.35CS..  trans-90.5167.5176.955.80000113.5G978 L982 L1028 T1029 S1031 T1032G978-T1057 VanDerWaalsContact O-CB 3.24Å; G978-T1057 WeakPolarHBondContact O-CB 3.45Å; G978-T1057 WeakPolarHBondContact O-CG2 3.48Å; L982-T1057 HydrophobicContact CG-CG2 4.49Å; L1028-T1057 HydrophobicContact CB-CG2 3.8Å; L1028-T1057 HydrophobicContact CD1-CG2 3.96Å; T1029-T1057 WeakPolarHBondContact O-CB 3.31Å; T1029-T1057 PolarHBondContact O-OG1 3.48Å; S1031-T1057 WeakPolarHBondContact CA-O 3.41Å; S1031-T1057 PolarHBondContact N-OG1 2.83Å; T1032-T1057 PolarHBondContact N-OG1 2.81Å; T1032-T1057 PolarHBondContact O-N 3.15Å; T1032-T1057 PolarHBondContact O-OG1 3.2Å
1058T80.4Confident82Confident64 Ų6461 Ų6139%0.39335%0.349SS..  trans-106.3171.9-17255.10000114.8G978 P979 E1030 S1031G978-T1058 VanDerWaalsContact C-OG1 3.31Å; G978-T1058 WeakPolarHBondContact CA-OG1 3.46Å; P979-T1058 WeakPolarHBondContact CA-O 3.36Å; P979-T1058 VanDerWaalsContact CD-OG1 3.31Å; P979-T1058 WeakPolarHBondContact CD-OG1 3.46Å; E1030-T1058 VanDerWaalsContact CB-O 3.3Å; E1030-T1058 WeakPolarHBondContact CB-O 3.29Å; S1031-T1058 PolarHBondContact N-O 3.15Å
1059K78.6Confident81.8Confident63 Ų6366.8 Ų66.827%0.27436%0.361SS..  trans-87.9174.1-179.2-86.6-168.9172-173.60114.4D1091 D1141K1059-D1091 IonicContact NZ-OD1 2.73Å; K1059-D1091 PolarHBondContact NZ-OD1 3.45Å; K1059-D1091 IonicContact NZ-OD2 2.72Å; K1059-D1091 PolarHBondContact NZ-OD2 3.13Å; K1059-D1141 WeakPolarHBondContact CE-OD2 3.27Å; K1059-D1141 IonicContact NZ-OD1 2.88Å; K1059-D1141 PolarHBondContact NZ-OD1 3.03Å; K1059-D1141 IonicContact NZ-OD2 3.69Å; K1059-D1141 PolarHBondContact NZ-OD2 3.1Å
1060S78.6Confident81.7Confident38 Ų3864.7 Ų64.727%0.26635%0.354SS..  trans-121.6155.3-170.8470000115.3E1030 R1137E1030-S1060 WeakPolarHBondContact OE2-CB 3.39Å; E1030-S1060 PolarHBondContact OE2-OG 3.16Å; S1060-R1137 PolarHBondContact O-NH1 3.5Å; S1060-R1137 PolarHBondContact OG-NH1 3.46Å
1061V78.1Confident81.3Confident102 Ų10267.3 Ų67.362%0.61837%0.369SS*.PPolyproline II helixtrans-101.1163.7-173-64.10000114.7L1146V1061-L1146 HydrophobicContact CG1-CB 4.32Å; V1061-L1146 HydrophobicContact CG1-CD1 4.16Å; V1061-L1146 HydrophobicContact CG1-CD2 4.4Å
1062P78Confident80.9Confident13 Ų1364 Ų648%0.08435%0.354CS..PPolyproline II helixtrans-90.7165.2-169.6-12.133.2000116.9M1088 R1137 L1146P1062-M1088 HydrophobicContact CB-SD 3.71Å; P1062-M1088 HydrophobicContact CG-SD 4.02Å; P1062-R1137 HydrophobicContact CB-CB 4.44Å; P1062-R1137 HydrophobicContact CG-CB 3.39Å; P1062-L1146 WeakPolarHBondContact CD-O 3.24Å; P1062-L1146 VanDerWaalsContact CG-O 3.24Å; P1062-L1146 WeakPolarHBondContact CG-O 3.42Å
1063P75.3Confident80.2Confident71 Ų7162.3 Ų62.346%0.46135%0.346SS..PPolyproline II helixtrans-85.6173.7-179.936.1-36.8000115
1064A75.6Confident79.1Confident66 Ų6670.5 Ų70.555%0.54538%0.381SS..PPolyproline II helixtrans-90.8160.5179.900000113.8P1149A1064-P1149 HydrophobicContact CB-CG 3.67Å
1065I81.3Confident77.9Confident19 Ų1969.2 Ų69.210%0.09738%0.383CS..  trans-130.4167.6177.560.4169.3000114.2V1085 Y1095 V1133 V1135 S1151I1065-V1085 HydrophobicContact CG2-CG2 3.45Å; I1065-V1085 VanDerWaalsContact CG2-CG2 3.45Å; I1065-Y1095 HydrophobicContact CD1-CD1 4.36Å; I1065-V1133 HydrophobicContact CD1-CG1 3.69Å; I1065-V1133 HydrophobicContact CD1-CG2 4.24Å; I1065-V1133 HydrophobicContact CG1-CG1 4.37Å; I1065-V1135 HydrophobicContact CB-CG2 4.3Å; I1065-V1135 HydrophobicContact CD1-CG2 3.54Å; I1065-V1135 HydrophobicContact CG1-CG2 3.79Å; I1065-V1135 HydrophobicContact CG2-CG2 3.59Å; I1065-S1151 WeakPolarHBondContact O-CB 3.47Å
1066K78.8Confident77.2Confident134 Ų13470.8 Ų70.858%0.58339%0.393SS*.PPolyproline II helixtrans-74.8164.7-178.5-54.2-173.2-163.777.70112.6E1083 S1151K1066-E1083 WeakPolarHBondContact CG-OE2 3.36Å; K1066-E1083 IonicContact NZ-OE1 2.77Å; K1066-E1083 PolarHBondContact NZ-OE1 3.11Å; K1066-E1083 IonicContact NZ-OE2 3.26Å; K1066-E1083 PolarHBondContact NZ-OE2 3.27Å; K1066-S1151 VanDerWaalsContact O-CB 3.3Å; K1066-S1151 WeakPolarHBondContact O-CB 3.21Å
1067A82.8Confident76.5Confident46 Ų4668.8 Ų68.838%0.3838%0.381SS..PPolyproline II helixtrans-67.1148.117800000112.5P1152A1067-P1152 HydrophobicContact CB-CB 4.16Å; A1067-P1152 VanDerWaalsContact CB-O 3.3Å; A1067-P1152 WeakPolarHBondContact CB-O 3.45Å
1068P82.8Confident76.3Confident5 Ų568.2 Ų68.23%0.03238%0.377CS..PPolyproline II helixtrans-71.8162.7178.330.2-34.2000112.5I1080 T1081 W1082 L1097 F1131 V1154P1068-I1080 HydrophobicContact CB-CG2 3.85Å; P1068-I1080 HydrophobicContact CG-CG2 4.35Å; P1068-T1081 CarbonylContact C-O 3.53Å; P1068-T1081 WeakPolarHBondContact CA-O 3.42Å; P1068-T1081 VanDerWaalsContact CB-O 3.28Å; P1068-T1081 WeakPolarHBondContact CB-O 3.45Å; P1068-W1082 HydrophobicContact CB-CB 4.36Å; P1068-L1097 HydrophobicContact CG-CD1 4.44Å; P1068-F1131 HydrophobicContact CG-CB 4.08Å; P1068-F1131 WeakPolarHBondContact CG-O 3.39Å; P1068-V1154 HydrophobicContact CG-CG1 4.11Å; P1068-V1154 WeakPolarHBondContact O-CG1 2.97Å
1069R77.4Confident76.2Confident200 Ų20067.9 Ų67.976%0.75537%0.371SS*.EExtended strand (participates in β ladder)trans-101.8149.5168.8-74.8-179165.9-166-4.9110.6I1080 T1081R1069-I1080 CarbonylContact O-C 3.52Å; R1069-I1080 VanDerWaalsContact O-CA 3.26Å; R1069-I1080 WeakPolarHBondContact O-CA 3.33Å; R1069-T1081 PolarHBondContact N-O 3.44Å; R1069-T1081 PolarHBondContact O-N 2.65Å
1070V81.3Confident76.6Confident28 Ų2864.9 Ų64.917%0.1736%0.358CS..EExtended strand (participates in β ladder)trans-128.8137.4176.4-177.30000110.4C1078 E1079 I1080 F1131 V1154 F1156V1070-C1078 HydrophobicContact CG1-CB 3.98Å; V1070-E1079 CarbonylContact C-O 3.51Å; V1070-E1079 VanDerWaalsContact CA-O 3.23Å; V1070-E1079 WeakPolarHBondContact CA-O 3.16Å; V1070-I1080 HydrophobicContact CG1-CG1 4.39Å; V1070-I1080 HydrophobicContact CG2-CB 4.43Å; V1070-I1080 HydrophobicContact CG2-CG1 3.89Å; V1070-I1080 HydrophobicContact CG2-CG2 4.15Å; V1070-F1131 HydrophobicContact CG1-CE2 4.44Å; V1070-F1131 HydrophobicContact CG2-CD2 3.62Å; V1070-F1131 HydrophobicContact CG2-CE2 4.07Å; V1070-F1131 HydrophobicContact CG2-CG 4.28Å; V1070-V1154 HydrophobicContact CG2-CG1 3.6Å; V1070-F1156 HydrophobicContact CG1-CB 3.96Å; V1070-F1156 HydrophobicContact CG1-CD1 4.2Å; V1070-F1156 HydrophobicContact CG1-CD2 3.76Å; V1070-F1156 HydrophobicContact CG1-CE2 4.35Å; V1070-F1156 HydrophobicContact CG1-CG 3.68Å
1071T76.9Confident76.4Confident76 Ų7664.8 Ų64.847%0.46636%0.356SS..EExtended strand (participates in β ladder)trans-134.7133.3178.8300000111.3C1078 E1079T1071-C1078 CarbonylContact O-C 3.28Å; T1071-C1078 WeakPolarHBondContact O-CA 3.14Å; T1071-C1078 VanDerWaalsContact O-CB 3.27Å; T1071-C1078 WeakPolarHBondContact O-CB 3.45Å; T1071-E1079 PolarHBondContact N-O 3.25Å; T1071-E1079 PolarHBondContact O-N 3.47Å
1072Q76Confident76.8Confident101 Ų10161.2 Ų61.247%0.47233%0.331SS..EExtended strand (participates in β ladder)trans-74.9145178.4-171.9166.9-18.200111.7F1156 L1158Q1072-F1156 HydrophobicContact CB-CE2 3.88Å; Q1072-F1156 HydrophobicContact CB-CZ 3.69Å; Q1072-F1156 HydrophobicContact CG-CZ 3.95Å; Q1072-L1158 HydrophobicContact CG-CD1 4.14Å
1073L74.3Confident77Confident65 Ų6564.6 Ų64.634%0.3435%0.346SS..EExtended strand (participates in β ladder)trans-113.4164.7171.8-58.8173.5000109.7G1075 A1077 Q1119L1073-G1075 PolarHBondContact O-N 3.5Å; L1073-A1077 HydrophobicContact CB-CB 4.23Å; L1073-A1077 PolarHBondContact N-O 3.28Å; L1073-Q1119 HydrophobicContact CD1-CG 4.5Å
1074E60.7Low77.2Confident202 Ų20266 Ų6694%0.94435%0.354SS*.THydrogen-bonded Turntrans-61.9138.4178.8-70.8-164.9148.600112.1
1075G63.6Low77.3Confident50 Ų5064.1 Ų64.152%0.51534%0.335SS..THydrogen-bonded Turntrans79.2-146-169.800000112.7L1073 A1077L1073-G1075 PolarHBondContact O-N 3.5Å; G1075-A1077 PolarHBondContact O-N 3.4Å
1076N72.6Confident77.1Confident74 Ų7467.9 Ų67.940%0.39636%0.361SS..THydrogen-bonded Turntrans-100.856.3-171.3-72.840.2000112.1S1121 G1122 L1123 L1158N1076-S1121 CarbonylContact O-C 3.55Å; N1076-G1122 PolarHBondContact O-N 3.38Å; N1076-L1123 WeakPolarHBondContact CB-O 3.31Å; N1076-L1123 PolarHBondContact ND2-O 3.25Å; N1076-L1123 PolarHBondContact O-N 3.19Å; N1076-L1158 HydrophobicContact CB-CD2 4.2Å
1077A70.4Confident77Confident16 Ų1665.6 Ų65.613%0.13236%0.36CS..EExtended strand (participates in β ladder)trans-143.5157.6-176.200000113.9L1073 G1075 I1120L1073-A1077 HydrophobicContact CB-CB 4.23Å; L1073-A1077 PolarHBondContact N-O 3.28Å; G1075-A1077 PolarHBondContact O-N 3.4Å; A1077-I1120 CarbonylContact C-O 3.54Å; A1077-I1120 VanDerWaalsContact CA-O 3.23Å; A1077-I1120 WeakPolarHBondContact CA-O 3.31Å; A1077-I1120 WeakPolarHBondContact CB-O 3.38Å
1078C79.6Confident76.7Confident0 Ų065.7 Ų65.70%035%0.353CS..EExtended strand (participates in β ladder)trans-146.9162.2170.773.40000112.3V1070 T1071 Q1119 I1120 L1123 F1156V1070-C1078 HydrophobicContact CG1-CB 3.98Å; T1071-C1078 CarbonylContact O-C 3.28Å; T1071-C1078 WeakPolarHBondContact O-CA 3.14Å; T1071-C1078 VanDerWaalsContact O-CB 3.27Å; T1071-C1078 WeakPolarHBondContact O-CB 3.45Å; C1078-Q1119 WeakPolarHBondContact O-CA 3.43Å; C1078-I1120 PolarHBondContact N-O 2.86Å; C1078-I1120 PolarHBondContact O-N 2.95Å; C1078-L1123 HydrophobicContact CB-CD1 4.01Å; C1078-F1156 HydrophobicContact CB-CD1 4.26Å; C1078-F1156 HydrophobicContact CB-CE1 3.68Å; C1078-F1156 HydrophobicContact CB-CZ 3.86Å
1079E78.1Confident76.2Confident56 Ų5673 Ų7326%0.26238%0.384SS..EExtended strand (participates in β ladder)trans-113.4142.3174.9-176.8169.3-102.700110.5V1070 T1071 T1081 Q1119V1070-E1079 CarbonylContact C-O 3.51Å; V1070-E1079 VanDerWaalsContact CA-O 3.23Å; V1070-E1079 WeakPolarHBondContact CA-O 3.16Å; T1071-E1079 PolarHBondContact N-O 3.25Å; T1071-E1079 PolarHBondContact O-N 3.47Å; E1079-T1081 HydrophobicContact CG-CG2 4.09Å; E1079-Q1119 HydrophobicContact CB-CG 3.92Å; E1079-Q1119 HydrophobicContact CG-CG 3.83Å; E1079-Q1119 WeakPolarHBondContact OE1-CG 3.35Å; E1079-Q1119 PolarHBondContact OE1-NE2 2.92Å
1080I85.9Confident75.9Confident0 Ų066 Ų660%037%0.374CS..EExtended strand (participates in β ladder)trans-125.3132.5-178.7-51.598.9000110.1P1068 R1069 V1070 W1082 L1097 T1117 F1118 I1120 F1131P1068-I1080 HydrophobicContact CB-CG2 3.85Å; P1068-I1080 HydrophobicContact CG-CG2 4.35Å; R1069-I1080 CarbonylContact O-C 3.52Å; R1069-I1080 VanDerWaalsContact O-CA 3.26Å; R1069-I1080 WeakPolarHBondContact O-CA 3.33Å; V1070-I1080 HydrophobicContact CG1-CG1 4.39Å; V1070-I1080 HydrophobicContact CG2-CB 4.43Å; V1070-I1080 HydrophobicContact CG2-CG1 3.89Å; V1070-I1080 HydrophobicContact CG2-CG2 4.15Å; I1080-W1082 HydrophobicContact CG2-CZ3 4.48Å; I1080-L1097 HydrophobicContact CB-CD2 4.29Å; I1080-L1097 HydrophobicContact CG2-CD1 4.04Å; I1080-L1097 HydrophobicContact CG2-CD2 4.05Å; I1080-T1117 CarbonylContact O-C 3.57Å; I1080-T1117 WeakPolarHBondContact O-CA 3.25Å; I1080-F1118 WeakPolarHBondContact CD1-O 3.34Å; I1080-F1118 PolarHBondContact N-O 3.41Å; I1080-F1118 PolarHBondContact O-N 2.79Å; I1080-I1120 HydrophobicContact CD1-CB 4.45Å; I1080-I1120 HydrophobicContact CD1-CD1 4.04Å; I1080-I1120 HydrophobicContact CD1-CG1 4.18Å; I1080-F1131 HydrophobicContact CD1-CD1 4.12Å; I1080-F1131 HydrophobicContact CD1-CE1 3.66Å; I1080-F1131 HydrophobicContact CD1-CZ 3.95Å; I1080-F1131 HydrophobicContact CG1-CD1 3.83Å; I1080-F1131 HydrophobicContact CG1-CD2 4.28Å; I1080-F1131 HydrophobicContact CG1-CE1 3.81Å; I1080-F1131 HydrophobicContact CG1-CE2 4.25Å; I1080-F1131 HydrophobicContact CG1-CG 4.06Å; I1080-F1131 HydrophobicContact CG1-CZ 4.01Å; I1080-F1131 HydrophobicContact CG2-CB 4.15Å; I1080-F1131 HydrophobicContact CG2-CD1 4.38Å; I1080-F1131 HydrophobicContact CG2-CG 4.26Å
1081T74.6Confident75.8Confident37 Ų3765 Ų6523%0.22737%0.368CS..EExtended strand (participates in β ladder)trans-139.5148.2-171.962.70000114P1068 R1069 E1079 T1116 T1117P1068-T1081 CarbonylContact C-O 3.53Å; P1068-T1081 WeakPolarHBondContact CA-O 3.42Å; P1068-T1081 VanDerWaalsContact CB-O 3.28Å; P1068-T1081 WeakPolarHBondContact CB-O 3.45Å; R1069-T1081 PolarHBondContact N-O 3.44Å; R1069-T1081 PolarHBondContact O-N 2.65Å; E1079-T1081 HydrophobicContact CG-CG2 4.09Å; T1081-T1116 CarbonylContact C-O 3.52Å; T1081-T1116 WeakPolarHBondContact CA-O 3.2Å; T1081-T1117 HydrophobicContact CG2-CG2 3.69Å
1082W86.3Confident75.8Confident26 Ų2663.8 Ų63.810%0.09836%0.361CS..  trans-146.8-179.5-177.86089.8000115.7P1068 I1080 Y1095 L1097 Y1111 E1115 T1116 F1118 V1133P1068-W1082 HydrophobicContact CB-CB 4.36Å; I1080-W1082 HydrophobicContact CG2-CZ3 4.48Å; W1082-Y1095 AromaticContact CD1-CD1 3.9Å; W1082-Y1095 AromaticContact NE1-CD1 3.6Å; W1082-Y1095 AromaticContact NE1-CD2 3.72Å; W1082-Y1095 AromaticContact NE1-CG 3.27Å; W1082-Y1095 VanDerWaalsContact NE1-CG 3.27Å; W1082-L1097 HydrophobicContact CE3-CD1 3.97Å; W1082-L1097 HydrophobicContact CH2-CB 4.02Å; W1082-L1097 HydrophobicContact CH2-CD1 4.42Å; W1082-L1097 HydrophobicContact CH2-CD2 4.13Å; W1082-L1097 HydrophobicContact CH2-CG 4.42Å; W1082-L1097 HydrophobicContact CZ3-CB 4.25Å; W1082-L1097 HydrophobicContact CZ3-CD1 3.82Å; W1082-L1097 HydrophobicContact CZ3-CD2 3.76Å; W1082-L1097 HydrophobicContact CZ3-CG 4.15Å; W1082-Y1111 AromaticContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CE1 4.34Å; W1082-Y1111 HydrophobicContact CH2-CG 4.47Å; W1082-Y1111 AromaticContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CE1 4.03Å; W1082-E1115 VanDerWaalsContact CZ2-O 3.25Å; W1082-E1115 WeakPolarHBondContact CZ2-O 3.43Å; W1082-T1116 PolarHBondContact N-O 3Å; W1082-T1116 WeakPolarHBondContact O-CB 3.33Å; W1082-F1118 HydrophobicContact CH2-CB 4.11Å; W1082-F1118 HydrophobicContact CZ3-CB 4.16Å; W1082-V1133 HydrophobicContact CB-CG1 3.94Å; W1082-V1133 HydrophobicContact CD2-CB 4.47Å; W1082-V1133 HydrophobicContact CD2-CG1 4.5Å; W1082-V1133 HydrophobicContact CD2-CG2 4.08Å; W1082-V1133 HydrophobicContact CG-CB 4.43Å; W1082-V1133 HydrophobicContact CG-CG1 4.01Å; W1082-V1133 HydrophobicContact CG-CG2 4.08Å
1083E83.4Confident76.1Confident85 Ų8560.1 Ų60.140%0.39735%0.345SS..  trans-93.7143.2-169.6-173.1170.7-149.600113.1K1066K1066-E1083 WeakPolarHBondContact CG-OE2 3.36Å; K1066-E1083 IonicContact NZ-OE1 2.77Å; K1066-E1083 PolarHBondContact NZ-OE1 3.11Å; K1066-E1083 IonicContact NZ-OE2 3.26Å; K1066-E1083 PolarHBondContact NZ-OE2 3.27Å
1084V78.9Confident76.3Confident101 Ų10157.7 Ų57.761%0.61234%0.337SS*.  trans-89.5139.6-177.5177.20000112Y1095 T1116V1084-Y1095 WeakPolarHBondContact CA-OH 3.23Å; V1084-T1116 HydrophobicContact CG2-CG2 3.63Å
1085V78.4Confident77.5Confident26 Ų2648.5 Ų48.516%0.15829%0.293CS..  trans-118.2133.6173.71790000110.8I1065 Y1095 V1135I1065-V1085 HydrophobicContact CG2-CG2 3.45Å; I1065-V1085 VanDerWaalsContact CG2-CG2 3.45Å; V1085-Y1095 PolarHBondContact N-OH 3.05Å; V1085-V1135 HydrophobicContact CB-CG1 4.23Å; V1085-V1135 HydrophobicContact CG1-CG1 4.35Å; V1085-V1135 HydrophobicContact CG2-CG1 4.39Å; V1085-V1135 HydrophobicContact CG2-CG2 4.06Å
1086P77.5Confident78.5Confident98 Ų9846.6 Ų46.664%0.63627%0.271SS*.  trans-79.4159.1-177.631.6-36.3000114.5V1093P1086-V1093 WeakPolarHBondContact O-CG2 3.35Å
1087P75.9Confident79Confident86 Ų8643 Ų4356%0.55825%0.253SS*.  trans-56142.2179.8-2836.6000115.9D1091P1087-D1091 WeakPolarHBondContact CA-O 3.24Å; P1087-D1091 WeakPolarHBondContact CB-O 3.22Å
1088M76.7Confident79.8Confident48 Ų4843.6 Ų43.624%0.23625%0.252CS..BIsolated β-bridgetrans-97.9103.1-178.4-67.7-173.774.600111.1P1062 G1090 D1091 R1137P1062-M1088 HydrophobicContact CB-SD 3.71Å; P1062-M1088 HydrophobicContact CG-SD 4.02Å; M1088-G1090 PolarHBondContact O-N 3.26Å; M1088-D1091 PolarHBondContact N-O 3.38Å; M1088-D1091 WeakPolarHBondContact O-CB 3.46Å; M1088-D1091 PolarHBondContact O-N 3.21Å; M1088-D1091 VanDerWaalsContact O-N 3.08Å; M1088-R1137 HydrophobicContact CB-CG 4.38Å; M1088-R1137 PolarHBondContact O-NH2 3.16Å; M1088-R1137 VanDerWaalsContact O-NH2 3.15Å
1089K72.8Confident79.8Confident159 Ų15944.1 Ų44.169%0.69126%0.255SS*.THydrogen-bonded Turntrans50.839.6-174.3-78.5-172.4170.6176.40113.3E1030 D1091E1030-K1089 WeakPolarHBondContact OE1-CD 3.42Å; E1030-K1089 WeakPolarHBondContact OE1-CE 3.38Å; E1030-K1089 IonicContact OE1-NZ 2.63Å; E1030-K1089 PolarHBondContact OE1-NZ 2.85Å; K1089-D1091 VanDerWaalsContact C-N 3.3Å; K1089-D1091 PolarHBondContact O-N 3.1Å
1090G69.3Low80Confident53 Ų5342.5 Ų42.555%0.54625%0.249SC..THydrogen-bonded Turntrans86.8-15.1-179.600000115M1088 P1092 L1140M1088-G1090 PolarHBondContact O-N 3.26Å; G1090-P1092 WeakPolarHBondContact O-CD 3.44Å; G1090-L1140 WeakPolarHBondContact O-CD1 3.42Å
1091D80.4Confident79.6Confident7 Ų744.6 Ų44.64%0.03726%0.261CS..BIsolated β-bridgetrans-69.7121.7170.8-66.9-42.9000109.5K1059 P1087 M1088 K1089 R1137 R1138 C1139 L1140K1059-D1091 IonicContact NZ-OD1 2.73Å; K1059-D1091 PolarHBondContact NZ-OD1 3.45Å; K1059-D1091 IonicContact NZ-OD2 2.72Å; K1059-D1091 PolarHBondContact NZ-OD2 3.13Å; P1087-D1091 WeakPolarHBondContact CA-O 3.24Å; P1087-D1091 WeakPolarHBondContact CB-O 3.22Å; M1088-D1091 PolarHBondContact N-O 3.38Å; M1088-D1091 WeakPolarHBondContact O-CB 3.46Å; M1088-D1091 PolarHBondContact O-N 3.21Å; M1088-D1091 VanDerWaalsContact O-N 3.08Å; K1089-D1091 VanDerWaalsContact C-N 3.3Å; K1089-D1091 PolarHBondContact O-N 3.1Å; D1091-R1137 HydrophobicContact CB-CG 3.75Å; D1091-R1137 IonicContact OD2-CZ 3.65Å; D1091-R1137 VanDerWaalsContact OD2-CZ 3.22Å; D1091-R1137 IonicContact OD2-NE 2.68Å; D1091-R1137 PolarHBondContact OD2-NE 2.91Å; D1091-R1137 IonicContact OD2-NH2 2.63Å; D1091-R1137 PolarHBondContact OD2-NH2 2.85Å; D1091-R1138 WeakPolarHBondContact CB-O 3.45Å; D1091-C1139 WeakPolarHBondContact OD1-CA 3.47Å; D1091-L1140 PolarHBondContact OD1-N 2.95Å
1092P75.9Confident79.4Confident50 Ų5044.2 Ų44.233%0.32527%0.265SS..  trans-72.7166.3-17730.6-35.9000112.4G1090 R1138 L1140G1090-P1092 WeakPolarHBondContact O-CD 3.44Å; P1092-R1138 WeakPolarHBondContact CD-O 3.21Å; P1092-R1138 HydrophobicContact CG-CB 4.5Å; P1092-R1138 PolarHBondContact O-N 3.14Å; P1092-L1140 HydrophobicContact CG-CD2 4.01Å
1093V82.3Confident78.5Confident23 Ų2355.3 Ų55.314%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-132.6141.8-171.8-138.30000110.6P1086 V1135 C1136P1086-V1093 WeakPolarHBondContact O-CG2 3.35Å; V1093-V1135 HydrophobicContact CB-CG1 4.49Å; V1093-V1135 HydrophobicContact CG1-CG1 3.27Å; V1093-C1136 VanDerWaalsContact CA-O 3.31Å; V1093-C1136 WeakPolarHBondContact CA-O 3.38Å; V1093-C1136 VanDerWaalsContact CG1-O 3.26Å; V1093-C1136 WeakPolarHBondContact CG1-O 3.35Å
1094G78.6Confident78.1Confident15 Ų1555.2 Ų55.216%0.15531%0.306CS..EExtended strand (participates in β ladder)trans-140.3171.7176.200000112.8C1136G1094-C1136 PolarHBondContact N-O 3.41Å; G1094-C1136 PolarHBondContact O-N 2.89Å
1095Y87.2Confident77.7Confident8 Ų856 Ų563%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-117.9157.2-169.4-49-80.4000112.8I1065 W1082 V1084 V1085 K1112 G1113 D1114 T1116 C1134 V1135I1065-Y1095 HydrophobicContact CD1-CD1 4.36Å; W1082-Y1095 AromaticContact CD1-CD1 3.9Å; W1082-Y1095 AromaticContact NE1-CD1 3.6Å; W1082-Y1095 AromaticContact NE1-CD2 3.72Å; W1082-Y1095 AromaticContact NE1-CG 3.27Å; W1082-Y1095 VanDerWaalsContact NE1-CG 3.27Å; V1084-Y1095 WeakPolarHBondContact CA-OH 3.23Å; V1085-Y1095 PolarHBondContact N-OH 3.05Å; Y1095-K1112 WeakPolarHBondContact O-CA 3.33Å; Y1095-G1113 PolarHBondContact N-O 3.13Å; Y1095-G1113 PolarHBondContact O-N 3.28Å; Y1095-G1113 VanDerWaalsContact O-N 3.12Å; Y1095-D1114 WeakPolarHBondContact CE2-O 3.5Å; Y1095-T1116 HydrophobicContact CD2-CG2 4.06Å; Y1095-T1116 HydrophobicContact CE2-CG2 3.73Å; Y1095-C1134 VanDerWaalsContact CA-O 3.29Å; Y1095-C1134 WeakPolarHBondContact CA-O 3.41Å; Y1095-V1135 HydrophobicContact CD1-CG2 4.01Å; Y1095-V1135 HydrophobicContact CE1-CG2 3.94Å
1096V83.8Confident77.5Confident10 Ų1061.8 Ų61.86%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-135.5108.8174.7-1760000109.5Q1098 Q1109 Y1111 K1112 V1133 C1134 F1150V1096-Q1098 HydrophobicContact CG1-CG 4.45Å; V1096-Q1109 HydrophobicContact CG1-CG 3.74Å; V1096-Q1109 VanDerWaalsContact CG1-OE1 3.24Å; V1096-Y1111 CarbonylContact C-O 3.59Å; V1096-Y1111 WeakPolarHBondContact CA-O 3.41Å; V1096-K1112 HydrophobicContact CG2-CB 4.31Å; V1096-K1112 HydrophobicContact CG2-CD 3.92Å; V1096-K1112 HydrophobicContact CG2-CG 3.95Å; V1096-V1133 VanDerWaalsContact O-CA 3.24Å; V1096-V1133 WeakPolarHBondContact O-CA 3.33Å; V1096-C1134 PolarHBondContact N-O 2.85Å; V1096-C1134 PolarHBondContact O-N 2.95Å; V1096-C1134 VanDerWaalsContact O-N 3.13Å; V1096-F1150 HydrophobicContact CB-CE1 4.49Å; V1096-F1150 HydrophobicContact CG1-CE1 4.47Å; V1096-F1150 HydrophobicContact CG1-CZ 4.44Å
1097L83.9Confident77.8Confident0 Ų059.4 Ų59.40%032%0.32CS..EExtended strand (participates in β ladder)trans-92.6136.5174.9-170.977.1000110.4P1068 I1080 W1082 V1110 Y1111 F1118 F1131 R1132 V1133P1068-L1097 HydrophobicContact CG-CD1 4.44Å; I1080-L1097 HydrophobicContact CB-CD2 4.29Å; I1080-L1097 HydrophobicContact CG2-CD1 4.04Å; I1080-L1097 HydrophobicContact CG2-CD2 4.05Å; W1082-L1097 HydrophobicContact CE3-CD1 3.97Å; W1082-L1097 HydrophobicContact CH2-CB 4.02Å; W1082-L1097 HydrophobicContact CH2-CD1 4.42Å; W1082-L1097 HydrophobicContact CH2-CD2 4.13Å; W1082-L1097 HydrophobicContact CH2-CG 4.42Å; W1082-L1097 HydrophobicContact CZ3-CB 4.25Å; W1082-L1097 HydrophobicContact CZ3-CD1 3.82Å; W1082-L1097 HydrophobicContact CZ3-CD2 3.76Å; W1082-L1097 HydrophobicContact CZ3-CG 4.15Å; L1097-V1110 HydrophobicContact CB-CG2 4.34Å; L1097-V1110 HydrophobicContact CD2-CG2 3.85Å; L1097-V1110 HydrophobicContact CG-CG2 4.04Å; L1097-V1110 PolarHBondContact O-N 2.97Å; L1097-Y1111 PolarHBondContact N-O 3.17Å; L1097-Y1111 PolarHBondContact O-N 2.88Å; L1097-F1118 HydrophobicContact CD2-CB 4.36Å; L1097-F1118 HydrophobicContact CD2-CD1 4.15Å; L1097-F1131 HydrophobicContact CD1-CB 4.47Å; L1097-F1131 HydrophobicContact CD2-CD1 4.43Å; L1097-R1132 WeakPolarHBondContact CA-O 3.5Å; L1097-R1132 WeakPolarHBondContact CD1-O 3.25Å; L1097-V1133 HydrophobicContact CD1-CB 4.09Å
1098Q85.8Confident77.8Confident27 Ų2760.3 Ų60.313%0.12632%0.315CS..EExtended strand (participates in β ladder)trans-126.6144.9174.6-50-176.5-43.700111.3V1096 Y1107 K1108 Q1109 F1131 R1132 F1150V1096-Q1098 HydrophobicContact CG1-CG 4.45Å; Q1098-Y1107 HydrophobicContact CB-CD1 4.18Å; Q1098-Y1107 HydrophobicContact CB-CG 4.48Å; Q1098-K1108 CarbonylContact C-O 3.53Å; Q1098-K1108 WeakPolarHBondContact CA-O 3.2Å; Q1098-K1108 WeakPolarHBondContact CB-O 3.25Å; Q1098-Q1109 HydrophobicContact CG-CB 4.4Å; Q1098-F1131 WeakPolarHBondContact O-CA 3.37Å; Q1098-R1132 HydrophobicContact CB-CG 4.33Å; Q1098-R1132 PolarHBondContact N-O 2.97Å; Q1098-R1132 PolarHBondContact O-N 3.01Å; Q1098-R1132 VanDerWaalsContact OE1-CZ 3.28Å; Q1098-F1150 HydrophobicContact CG-CE1 3.95Å; Q1098-F1150 HydrophobicContact CG-CZ 4.44Å
1099V80.9Confident78Confident11 Ų1163.2 Ų63.27%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-114150.1173.778.90000111.9V1101 Y1107 K1108 V1110 Y1129 R1130 F1131V1099-V1101 HydrophobicContact CG1-CG2 4.18Å; V1099-Y1107 CarbonylContact O-C 3.56Å; V1099-Y1107 WeakPolarHBondContact O-CA 3.42Å; V1099-K1108 PolarHBondContact N-O 3.37Å; V1099-K1108 PolarHBondContact O-N 2.99Å; V1099-V1110 HydrophobicContact CB-CG1 4.09Å; V1099-V1110 HydrophobicContact CB-CG2 4.21Å; V1099-V1110 HydrophobicContact CG1-CG1 3.45Å; V1099-V1110 VanDerWaalsContact CG1-CG1 3.45Å; V1099-V1110 HydrophobicContact CG1-CG2 4.47Å; V1099-Y1129 HydrophobicContact CG2-CD1 4.31Å; V1099-R1130 CarbonylContact C-O 3.47Å; V1099-R1130 WeakPolarHBondContact CA-O 3.2Å; V1099-F1131 HydrophobicContact CB-CD1 3.91Å; V1099-F1131 HydrophobicContact CB-CE1 3.8Å; V1099-F1131 HydrophobicContact CG2-CD1 3.62Å; V1099-F1131 HydrophobicContact CG2-CE1 3.25Å; V1099-F1131 HydrophobicContact CG2-CE2 4.27Å; V1099-F1131 HydrophobicContact CG2-CG 4.28Å; V1099-F1131 HydrophobicContact CG2-CZ 3.63Å
1100L81.6Confident78.1Confident23 Ų2358 Ų5812%0.1231%0.31CS..EExtended strand (participates in β ladder)trans-115.5134165.6-160.971.4000108.2E1104 E1106 Y1107 Y1129 R1130L1100-E1104 HydrophobicContact CD1-CB 4.43Å; L1100-E1104 VanDerWaalsContact CD1-O 3.23Å; L1100-E1104 WeakPolarHBondContact CD1-O 3.19Å; L1100-E1104 WeakPolarHBondContact CG-O 3.35Å; L1100-E1106 VanDerWaalsContact CD1-O 3.27Å; L1100-E1106 WeakPolarHBondContact CD1-O 3.41Å; L1100-Y1107 HydrophobicContact CB-CD1 4.04Å; L1100-Y1107 HydrophobicContact CB-CE1 3.83Å; L1100-Y1107 HydrophobicContact CB-CE2 4.48Å; L1100-Y1107 HydrophobicContact CB-CG 4.45Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.21Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.45Å; L1100-Y1107 HydrophobicContact CD1-CG 4.36Å; L1100-Y1107 HydrophobicContact CD2-CE2 4.17Å; L1100-Y1129 CarbonylContact O-C 3.52Å; L1100-Y1129 WeakPolarHBondContact O-CA 3.38Å; L1100-R1130 HydrophobicContact CB-CB 4.08Å; L1100-R1130 PolarHBondContact N-O 2.59Å; L1100-R1130 PolarHBondContact O-N 3.31Å
1101V77.9Confident78.7Confident43 Ų4356.7 Ų56.726%0.26129%0.289SS..EExtended strand (participates in β ladder)trans-114.7128.5-177.6-173.70000111V1099 R1103 E1104 T1127 Y1129V1099-V1101 HydrophobicContact CG1-CG2 4.18Å; V1101-R1103 PolarHBondContact O-N 2.87Å; V1101-R1103 VanDerWaalsContact O-N 3.11Å; V1101-E1104 WeakPolarHBondContact O-CB 3.29Å; V1101-E1104 VanDerWaalsContact O-CG 3.3Å; V1101-E1104 WeakPolarHBondContact O-CG 3.28Å; V1101-E1104 PolarHBondContact O-N 2.81Å; V1101-T1127 HydrophobicContact CG1-CG2 3.84Å; V1101-Y1129 HydrophobicContact CB-CD1 4.38Å; V1101-Y1129 HydrophobicContact CB-CE1 4.26Å; V1101-Y1129 HydrophobicContact CG1-CD1 4.08Å; V1101-Y1129 HydrophobicContact CG1-CE1 3.58Å; V1101-Y1129 HydrophobicContact CG2-CD1 3.88Å; V1101-Y1129 HydrophobicContact CG2-CE1 3.83Å
1102G70.4Confident78.7Confident30 Ų3061.3 Ų61.331%0.30931%0.308SS..THydrogen-bonded Turntrans57.9-110.8178.200000112.9D1128G1102-D1128 WeakPolarHBondContact CA-O 3.29Å; G1102-D1128 PolarHBondContact N-O 2.92Å
1103R66.8Low78.8Confident259 Ų25960 Ų6098%0.97730%0.304SS*.THydrogen-bonded Turntrans-116.923.2175.3-62.8-171.6-178.2-171.92112.7V1101V1101-R1103 PolarHBondContact O-N 2.87Å; V1101-R1103 VanDerWaalsContact O-N 3.11Å
1104E74.6Confident78.7Confident83 Ų8365 Ų6539%0.38833%0.33SS..  trans-60.3149.9169.2-69.1-171.314500110.9L1100 V1101 K1108L1100-E1104 HydrophobicContact CD1-CB 4.43Å; L1100-E1104 VanDerWaalsContact CD1-O 3.23Å; L1100-E1104 WeakPolarHBondContact CD1-O 3.19Å; L1100-E1104 WeakPolarHBondContact CG-O 3.35Å; V1101-E1104 WeakPolarHBondContact O-CB 3.29Å; V1101-E1104 VanDerWaalsContact O-CG 3.3Å; V1101-E1104 WeakPolarHBondContact O-CG 3.28Å; V1101-E1104 PolarHBondContact O-N 2.81Å; E1104-K1108 IonicContact OE1-NZ 2.83Å; E1104-K1108 PolarHBondContact OE1-NZ 3.25Å; E1104-K1108 WeakPolarHBondContact OE2-CE 3.42Å; E1104-K1108 IonicContact OE2-NZ 3.21Å; E1104-K1108 PolarHBondContact OE2-NZ 2.89Å
1105S70.8Confident78.9Confident117 Ų11769.7 Ų69.782%0.81835%0.347SS*.SBendtrans-94.9-15.3-175.3520000114.6
1106E74.9Confident78.6Confident147 Ų14770.8 Ų70.869%0.68736%0.355SS*.SBendtrans-120.4130.3-174.4-65.8-164.5145.300113.1L1100 K1108L1100-E1106 VanDerWaalsContact CD1-O 3.27Å; L1100-E1106 WeakPolarHBondContact CD1-O 3.41Å; E1106-K1108 PolarHBondContact O-N 3.42Å; E1106-K1108 VanDerWaalsContact O-N 3.15Å
1107Y83.1Confident78.4Confident48 Ų4873.8 Ų73.819%0.18837%0.374CS..  trans-71.5102.5174.3-84.9-87.6000110.8Q1098 V1099 L1100 R1130 R1132 S1153Q1098-Y1107 HydrophobicContact CB-CD1 4.18Å; Q1098-Y1107 HydrophobicContact CB-CG 4.48Å; V1099-Y1107 CarbonylContact O-C 3.56Å; V1099-Y1107 WeakPolarHBondContact O-CA 3.42Å; L1100-Y1107 HydrophobicContact CB-CD1 4.04Å; L1100-Y1107 HydrophobicContact CB-CE1 3.83Å; L1100-Y1107 HydrophobicContact CB-CE2 4.48Å; L1100-Y1107 HydrophobicContact CB-CG 4.45Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.21Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.45Å; L1100-Y1107 HydrophobicContact CD1-CG 4.36Å; L1100-Y1107 HydrophobicContact CD2-CE2 4.17Å; Y1107-R1130 HydrophobicContact CE1-CB 4.3Å; Y1107-R1130 WeakPolarHBondContact CE1-O 3.11Å; Y1107-R1132 HydrophobicContact CD1-CG 3.85Å; Y1107-R1132 HydrophobicContact CE1-CG 3.97Å; Y1107-R1132 HydrophobicContact CG-CG 4.41Å; Y1107-S1153 WeakPolarHBondContact OH-CB 3.25Å; Y1107-S1153 PolarHBondContact OH-OG 2.54Å
1108K76.9Confident78.2Confident105 Ų10576.4 Ų76.446%0.45739%0.385SS..EExtended strand (participates in β ladder)trans-77.1131.1177.5-67.9169.1-177.1165.60110.2Q1098 V1099 E1104 E1106 V1110Q1098-K1108 CarbonylContact C-O 3.53Å; Q1098-K1108 WeakPolarHBondContact CA-O 3.2Å; Q1098-K1108 WeakPolarHBondContact CB-O 3.25Å; V1099-K1108 PolarHBondContact N-O 3.37Å; V1099-K1108 PolarHBondContact O-N 2.99Å; E1104-K1108 IonicContact OE1-NZ 2.83Å; E1104-K1108 PolarHBondContact OE1-NZ 3.25Å; E1104-K1108 WeakPolarHBondContact OE2-CE 3.42Å; E1104-K1108 IonicContact OE2-NZ 3.21Å; E1104-K1108 PolarHBondContact OE2-NZ 2.89Å; E1106-K1108 PolarHBondContact O-N 3.42Å; E1106-K1108 VanDerWaalsContact O-N 3.15Å; K1108-V1110 PolarHBondContact O-N 2.75Å
1109Q80.4Confident77.9Confident109 Ų10980.7 Ų80.751%0.50941%0.405SS..EExtended strand (participates in β ladder)trans-65.3126.4173.8-173-174.3-72.800110.3V1096 Q1098V1096-Q1109 HydrophobicContact CG1-CG 3.74Å; V1096-Q1109 VanDerWaalsContact CG1-OE1 3.24Å; Q1098-Q1109 HydrophobicContact CG-CB 4.4Å
1110V73.8Confident77.9Confident50 Ų5081.8 Ų81.830%0.30341%0.41SS..EExtended strand (participates in β ladder)trans-111.2-22.3176-76.50000112.9L1097 V1099 K1108 F1118 I1120L1097-V1110 HydrophobicContact CB-CG2 4.34Å; L1097-V1110 HydrophobicContact CD2-CG2 3.85Å; L1097-V1110 HydrophobicContact CG-CG2 4.04Å; L1097-V1110 PolarHBondContact O-N 2.97Å; V1099-V1110 HydrophobicContact CB-CG1 4.09Å; V1099-V1110 HydrophobicContact CB-CG2 4.21Å; V1099-V1110 HydrophobicContact CG1-CG1 3.45Å; V1099-V1110 VanDerWaalsContact CG1-CG1 3.45Å; V1099-V1110 HydrophobicContact CG1-CG2 4.47Å; K1108-V1110 PolarHBondContact O-N 2.75Å; V1110-F1118 HydrophobicContact CB-CE1 4.23Å; V1110-I1120 HydrophobicContact CB-CD1 4.46Å; V1110-I1120 HydrophobicContact CG1-CD1 4.45Å; V1110-I1120 HydrophobicContact CG2-CD1 4.46Å
1111Y82.8Confident77.4Confident26 Ų2685.3 Ų85.310%0.10244%0.437CS..EExtended strand (participates in β ladder)trans-145.3141.4174.6-179.7-93.4000110.8W1082 V1096 L1097 G1113 E1115 F1118W1082-Y1111 AromaticContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CE1 4.34Å; W1082-Y1111 HydrophobicContact CH2-CG 4.47Å; W1082-Y1111 AromaticContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CE1 4.03Å; V1096-Y1111 CarbonylContact C-O 3.59Å; V1096-Y1111 WeakPolarHBondContact CA-O 3.41Å; L1097-Y1111 PolarHBondContact N-O 3.17Å; L1097-Y1111 PolarHBondContact O-N 2.88Å; Y1111-G1113 WeakPolarHBondContact OH-CA 3.31Å; Y1111-E1115 WeakPolarHBondContact CE2-OE2 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CB 3.47Å; Y1111-E1115 VanDerWaalsContact OH-CG 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CG 3.34Å; Y1111-E1115 PolarHBondContact OH-N 2.94Å; Y1111-E1115 VanDerWaalsContact OH-N 3.1Å; Y1111-E1115 PolarHBondContact OH-OE2 3.35Å; Y1111-F1118 AromaticContact CD2-CD2 3.47Å; Y1111-F1118 HydrophobicContact CD2-CD2 3.47Å; Y1111-F1118 VanDerWaalsContact CD2-CD2 3.47Å; Y1111-F1118 AromaticContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CG 4.26Å; Y1111-F1118 HydrophobicContact CE2-CD2 4.17Å; Y1111-F1118 HydrophobicContact CG-CD2 4.07Å; Y1111-F1118 HydrophobicContact CG-CE2 4.4Å; Y1111-F1118 HydrophobicContact CG-CG 4.43Å
1112K79.8Confident77.2Confident104 Ų10486.1 Ų86.145%0.45245%0.454SS..EExtended strand (participates in β ladder)trans-140.9123.6161.6172.9169-175.3177.30107.9Y1095 V1096 E1145Y1095-K1112 WeakPolarHBondContact O-CA 3.33Å; V1096-K1112 HydrophobicContact CG2-CB 4.31Å; V1096-K1112 HydrophobicContact CG2-CD 3.92Å; V1096-K1112 HydrophobicContact CG2-CG 3.95Å; K1112-E1145 IonicContact NZ-OE2 2.68Å; K1112-E1145 PolarHBondContact NZ-OE2 3.31Å
1113G79Confident77.4Confident22 Ų2284.9 Ų84.923%0.22744%0.44CS..EExtended strand (participates in β ladder)trans173.5-170.6-172.500000111Y1095 Y1111Y1095-G1113 PolarHBondContact N-O 3.13Å; Y1095-G1113 PolarHBondContact O-N 3.28Å; Y1095-G1113 VanDerWaalsContact O-N 3.12Å; Y1111-G1113 WeakPolarHBondContact OH-CA 3.31Å
1114D80.8Confident77.5Confident128 Ų12878.6 Ų78.668%0.68442%0.422SS*.SBendtrans-104.4-9-175.949.3-16.6000114.2Y1095Y1095-D1114 WeakPolarHBondContact CE2-O 3.5Å
1115E82.9Confident77.5Confident113 Ų11376.7 Ų76.753%0.52842%0.416SS..  trans-73.5161.1171.8-49.4161.112200111.3W1082 Y1111W1082-E1115 VanDerWaalsContact CZ2-O 3.25Å; W1082-E1115 WeakPolarHBondContact CZ2-O 3.43Å; Y1111-E1115 WeakPolarHBondContact CE2-OE2 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CB 3.47Å; Y1111-E1115 VanDerWaalsContact OH-CG 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CG 3.34Å; Y1111-E1115 PolarHBondContact OH-N 2.94Å; Y1111-E1115 VanDerWaalsContact OH-N 3.1Å; Y1111-E1115 PolarHBondContact OH-OE2 3.35Å
1116T80.6Confident77.2Confident31 Ų3176.3 Ų76.319%0.1941%0.405CS..SBendtrans-120.415.3-178.562.10000114.9T1081 W1082 V1084 Y1095T1081-T1116 CarbonylContact C-O 3.52Å; T1081-T1116 WeakPolarHBondContact CA-O 3.2Å; W1082-T1116 PolarHBondContact N-O 3Å; W1082-T1116 WeakPolarHBondContact O-CB 3.33Å; V1084-T1116 HydrophobicContact CG2-CG2 3.63Å; Y1095-T1116 HydrophobicContact CD2-CG2 4.06Å; Y1095-T1116 HydrophobicContact CE2-CG2 3.73Å
1117T78.6Confident77Confident74 Ų7471 Ų7145%0.45438%0.382SS..EExtended strand (participates in β ladder)trans-141.3131.2-179.3590000110.1I1080 T1081I1080-T1117 CarbonylContact O-C 3.57Å; I1080-T1117 WeakPolarHBondContact O-CA 3.25Å; T1081-T1117 HydrophobicContact CG2-CG2 3.69Å
1118F80.9Confident76.8Confident55 Ų5570.2 Ų70.224%0.24138%0.381CS..EExtended strand (participates in β ladder)trans-143.7133.7-176.1-170.5-110.2000111.3I1080 W1082 L1097 V1110 Y1111 I1120I1080-F1118 WeakPolarHBondContact CD1-O 3.34Å; I1080-F1118 PolarHBondContact N-O 3.41Å; I1080-F1118 PolarHBondContact O-N 2.79Å; W1082-F1118 HydrophobicContact CH2-CB 4.11Å; W1082-F1118 HydrophobicContact CZ3-CB 4.16Å; L1097-F1118 HydrophobicContact CD2-CB 4.36Å; L1097-F1118 HydrophobicContact CD2-CD1 4.15Å; V1110-F1118 HydrophobicContact CB-CE1 4.23Å; Y1111-F1118 AromaticContact CD2-CD2 3.47Å; Y1111-F1118 HydrophobicContact CD2-CD2 3.47Å; Y1111-F1118 VanDerWaalsContact CD2-CD2 3.47Å; Y1111-F1118 AromaticContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CG 4.26Å; Y1111-F1118 HydrophobicContact CE2-CD2 4.17Å; Y1111-F1118 HydrophobicContact CG-CD2 4.07Å; Y1111-F1118 HydrophobicContact CG-CE2 4.4Å; Y1111-F1118 HydrophobicContact CG-CG 4.43Å; F1118-I1120 HydrophobicContact CD1-CD1 4.18Å; F1118-I1120 HydrophobicContact CD1-CG1 3.9Å; F1118-I1120 HydrophobicContact CE1-CD1 3.9Å; F1118-I1120 HydrophobicContact CE1-CG1 3.59Å
1119Q79.4Confident76.8Confident116 Ų11666.3 Ų66.354%0.54236%0.364SS..EExtended strand (participates in β ladder)trans-106.7142.4178.6-67.7-171.81.500111.8L1073 C1078 E1079L1073-Q1119 HydrophobicContact CD1-CG 4.5Å; C1078-Q1119 WeakPolarHBondContact O-CA 3.43Å; E1079-Q1119 HydrophobicContact CB-CG 3.92Å; E1079-Q1119 HydrophobicContact CG-CG 3.83Å; E1079-Q1119 WeakPolarHBondContact OE1-CG 3.35Å; E1079-Q1119 PolarHBondContact OE1-NE2 2.92Å
1120I80.2Confident76.9Confident34 Ų3466.2 Ų66.217%0.17436%0.359CS..EExtended strand (participates in β ladder)trans-128134.3175.3-69.1176.3000109.5A1077 C1078 I1080 V1110 F1118 L1123 F1131A1077-I1120 CarbonylContact C-O 3.54Å; A1077-I1120 VanDerWaalsContact CA-O 3.23Å; A1077-I1120 WeakPolarHBondContact CA-O 3.31Å; A1077-I1120 WeakPolarHBondContact CB-O 3.38Å; C1078-I1120 PolarHBondContact N-O 2.86Å; C1078-I1120 PolarHBondContact O-N 2.95Å; I1080-I1120 HydrophobicContact CD1-CB 4.45Å; I1080-I1120 HydrophobicContact CD1-CD1 4.04Å; I1080-I1120 HydrophobicContact CD1-CG1 4.18Å; V1110-I1120 HydrophobicContact CB-CD1 4.46Å; V1110-I1120 HydrophobicContact CG1-CD1 4.45Å; V1110-I1120 HydrophobicContact CG2-CD1 4.46Å; F1118-I1120 HydrophobicContact CD1-CD1 4.18Å; F1118-I1120 HydrophobicContact CD1-CG1 3.9Å; F1118-I1120 HydrophobicContact CE1-CD1 3.9Å; F1118-I1120 HydrophobicContact CE1-CG1 3.59Å; I1120-L1123 HydrophobicContact CG2-CD2 3.71Å; I1120-L1123 HydrophobicContact CG2-CG 4.35Å; I1120-F1131 HydrophobicContact CD1-CE1 3.86Å; I1120-F1131 HydrophobicContact CD1-CZ 4.49Å
1121S71.8Confident77.2Confident98 Ų9863.9 Ų63.969%0.68535%0.345SS*.EExtended strand (participates in β ladder)trans-127.5162.8178.259.30000111.4N1076N1076-S1121 CarbonylContact O-C 3.55Å
1122G72.4Confident77.3Confident60 Ų6066 Ų6662%0.61935%0.353SS*.  trans85.219.3-174.500000114.3N1076N1076-G1122 PolarHBondContact O-N 3.38Å
1123L74.5Confident77.5Confident4 Ų461.1 Ų61.12%0.02133%0.331CS..PPolyproline II helixtrans-62.4143.4-179.2-60.7172000111.9N1076 C1078 I1120 Y1129 F1156 L1158N1076-L1123 WeakPolarHBondContact CB-O 3.31Å; N1076-L1123 PolarHBondContact ND2-O 3.25Å; N1076-L1123 PolarHBondContact O-N 3.19Å; C1078-L1123 HydrophobicContact CB-CD1 4.01Å; I1120-L1123 HydrophobicContact CG2-CD2 3.71Å; I1120-L1123 HydrophobicContact CG2-CG 4.35Å; L1123-Y1129 HydrophobicContact CB-CE2 4.18Å; L1123-Y1129 HydrophobicContact CD2-CD1 3.98Å; L1123-Y1129 HydrophobicContact CD2-CD2 4.21Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.61Å; L1123-Y1129 HydrophobicContact CD2-CE2 3.86Å; L1123-Y1129 HydrophobicContact CD2-CG 4.26Å; L1123-F1156 HydrophobicContact CD1-CE1 3.92Å; L1123-L1158 HydrophobicContact CD1-CD1 4.27Å
1124Q68.5Low77.7Confident127 Ų12760.2 Ų60.259%0.59332%0.321SS*.PPolyproline II helixtrans-84.9137.8175.9-71.2-70-2400110.7T1127 Y1129Q1124-T1127 WeakPolarHBondContact CB-OG1 3.49Å; Q1124-T1127 PolarHBondContact O-N 2.85Å; Q1124-Y1129 PolarHBondContact N-OH 3.12Å
1125V75.4Confident77.9Confident43 Ų4354.1 Ų54.126%0.26129%0.289SS..BIsolated β-bridgetrans-71.2144.5179.2-1630000109.7T1127 L1158 Q1159 R1160V1125-T1127 PolarHBondContact O-N 3.34Å; V1125-L1158 HydrophobicContact CG1-CB 4.29Å; V1125-L1158 HydrophobicContact CG2-CD2 4.33Å; V1125-Q1159 VanDerWaalsContact CG1-C 3.46Å; V1125-R1160 HydrophobicContact CG1-CB 3.98Å
1126N64.9Low77.8Confident109 Ų10949 Ų4958%0.58327%0.265SS*.THydrogen-bonded Turntrans57.821.2-173.2-62.2-3.6000115.4L1158N1126-L1158 WeakPolarHBondContact CA-O 3.24Å; N1126-L1158 PolarHBondContact N-O 2.78Å; N1126-L1158 PolarHBondContact OD1-O 3.12Å
1127T71.4Confident77.8Confident35 Ų3547.7 Ų47.722%0.21526%0.257CS..  trans-101.9132171.8-58.90000110.6V1101 Q1124 V1125 Y1129 M1157V1101-T1127 HydrophobicContact CG1-CG2 3.84Å; Q1124-T1127 WeakPolarHBondContact CB-OG1 3.49Å; Q1124-T1127 PolarHBondContact O-N 2.85Å; V1125-T1127 PolarHBondContact O-N 3.34Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.27Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.72Å; T1127-Y1129 VanDerWaalsContact O-CD2 3.27Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.5Å; T1127-M1157 WeakPolarHBondContact O-CA 3.05Å; T1127-M1157 WeakPolarHBondContact O-CG 3.29Å
1128D78.7Confident77.8Confident31 Ų3150.1 Ų50.117%0.16626%0.258CS..EExtended strand (participates in β ladder)trans-77.9136.8173.1-173.722.4000110.1G1102 R1130 F1156 M1157G1102-D1128 WeakPolarHBondContact CA-O 3.29Å; G1102-D1128 PolarHBondContact N-O 2.92Å; D1128-R1130 IonicContact OD2-CZ 2.9Å; D1128-R1130 IonicContact OD2-NE 2.73Å; D1128-R1130 PolarHBondContact OD2-NE 3.29Å; D1128-R1130 IonicContact OD2-NH2 3.95Å; D1128-R1130 PolarHBondContact OD2-NH2 3.3Å; D1128-F1156 CarbonylContact C-O 3.56Å; D1128-F1156 WeakPolarHBondContact CA-O 3.3Å; D1128-M1157 HydrophobicContact CB-CE 3.88Å
1129Y76.2Confident77.4Confident23 Ų2347.5 Ų47.59%0.0925%0.247CC..EExtended strand (participates in β ladder)trans-129.9126.4178.7-70.4-93.1000109.3V1099 L1100 V1101 L1123 Q1124 T1127 A1155 F1156V1099-Y1129 HydrophobicContact CG2-CD1 4.31Å; L1100-Y1129 CarbonylContact O-C 3.52Å; L1100-Y1129 WeakPolarHBondContact O-CA 3.38Å; V1101-Y1129 HydrophobicContact CB-CD1 4.38Å; V1101-Y1129 HydrophobicContact CB-CE1 4.26Å; V1101-Y1129 HydrophobicContact CG1-CD1 4.08Å; V1101-Y1129 HydrophobicContact CG1-CE1 3.58Å; V1101-Y1129 HydrophobicContact CG2-CD1 3.88Å; V1101-Y1129 HydrophobicContact CG2-CE1 3.83Å; L1123-Y1129 HydrophobicContact CB-CE2 4.18Å; L1123-Y1129 HydrophobicContact CD2-CD1 3.98Å; L1123-Y1129 HydrophobicContact CD2-CD2 4.21Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.61Å; L1123-Y1129 HydrophobicContact CD2-CE2 3.86Å; L1123-Y1129 HydrophobicContact CD2-CG 4.26Å; Q1124-Y1129 PolarHBondContact N-OH 3.12Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.27Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.72Å; T1127-Y1129 VanDerWaalsContact O-CD2 3.27Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.5Å; Y1129-A1155 CarbonylContact O-C 3.58Å; Y1129-A1155 WeakPolarHBondContact O-CA 3.45Å; Y1129-F1156 PolarHBondContact N-O 3.09Å; Y1129-F1156 PolarHBondContact O-N 3.06Å
1130R82.6Confident77Confident107 Ų10747.4 Ų47.440%0.40425%0.249SC..EExtended strand (participates in β ladder)trans-121.4134.6-177.8-49.4-170.2-179.9-176.30.4114.1V1099 L1100 Y1107 D1128 V1154 A1155V1099-R1130 CarbonylContact C-O 3.47Å; V1099-R1130 WeakPolarHBondContact CA-O 3.2Å; L1100-R1130 HydrophobicContact CB-CB 4.08Å; L1100-R1130 PolarHBondContact N-O 2.59Å; L1100-R1130 PolarHBondContact O-N 3.31Å; Y1107-R1130 HydrophobicContact CE1-CB 4.3Å; Y1107-R1130 WeakPolarHBondContact CE1-O 3.11Å; D1128-R1130 IonicContact OD2-CZ 2.9Å; D1128-R1130 IonicContact OD2-NE 2.73Å; D1128-R1130 PolarHBondContact OD2-NE 3.29Å; D1128-R1130 IonicContact OD2-NH2 3.95Å; D1128-R1130 PolarHBondContact OD2-NH2 3.3Å; R1130-V1154 CarbonylContact C-O 3.52Å; R1130-V1154 WeakPolarHBondContact CA-O 3.33Å; R1130-V1154 WeakPolarHBondContact CB-O 3.33Å; R1130-A1155 HydrophobicContact CG-CB 3.92Å
1131F80.8Confident76.3Confident1 Ų150.5 Ų50.50%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-124.2138-170-57.6-90000113.2P1068 V1070 I1080 L1097 Q1098 V1099 I1120 S1153 V1154 F1156P1068-F1131 HydrophobicContact CG-CB 4.08Å; P1068-F1131 WeakPolarHBondContact CG-O 3.39Å; V1070-F1131 HydrophobicContact CG1-CE2 4.44Å; V1070-F1131 HydrophobicContact CG2-CD2 3.62Å; V1070-F1131 HydrophobicContact CG2-CE2 4.07Å; V1070-F1131 HydrophobicContact CG2-CG 4.28Å; I1080-F1131 HydrophobicContact CD1-CD1 4.12Å; I1080-F1131 HydrophobicContact CD1-CE1 3.66Å; I1080-F1131 HydrophobicContact CD1-CZ 3.95Å; I1080-F1131 HydrophobicContact CG1-CD1 3.83Å; I1080-F1131 HydrophobicContact CG1-CD2 4.28Å; I1080-F1131 HydrophobicContact CG1-CE1 3.81Å; I1080-F1131 HydrophobicContact CG1-CE2 4.25Å; I1080-F1131 HydrophobicContact CG1-CG 4.06Å; I1080-F1131 HydrophobicContact CG1-CZ 4.01Å; I1080-F1131 HydrophobicContact CG2-CB 4.15Å; I1080-F1131 HydrophobicContact CG2-CD1 4.38Å; I1080-F1131 HydrophobicContact CG2-CG 4.26Å; L1097-F1131 HydrophobicContact CD1-CB 4.47Å; L1097-F1131 HydrophobicContact CD2-CD1 4.43Å; Q1098-F1131 WeakPolarHBondContact O-CA 3.37Å; V1099-F1131 HydrophobicContact CB-CD1 3.91Å; V1099-F1131 HydrophobicContact CB-CE1 3.8Å; V1099-F1131 HydrophobicContact CG2-CD1 3.62Å; V1099-F1131 HydrophobicContact CG2-CE1 3.25Å; V1099-F1131 HydrophobicContact CG2-CE2 4.27Å; V1099-F1131 HydrophobicContact CG2-CG 4.28Å; V1099-F1131 HydrophobicContact CG2-CZ 3.63Å; I1120-F1131 HydrophobicContact CD1-CE1 3.86Å; I1120-F1131 HydrophobicContact CD1-CZ 4.49Å; F1131-S1153 CarbonylContact O-C 3.55Å; F1131-S1153 WeakPolarHBondContact O-CA 3.23Å; F1131-V1154 HydrophobicContact CB-CG1 4.28Å; F1131-V1154 PolarHBondContact N-O 3.01Å; F1131-V1154 PolarHBondContact O-N 2.88Å; F1131-F1156 HydrophobicContact CE2-CB 4.45Å
1132R85.1Confident76.1Confident72 Ų7249.8 Ų49.827%0.27226%0.258SS..EExtended strand (participates in β ladder)trans-146157.217570.9178.7-170.6-178.7-0.3112.6L1097 Q1098 Y1107 F1150L1097-R1132 WeakPolarHBondContact CA-O 3.5Å; L1097-R1132 WeakPolarHBondContact CD1-O 3.25Å; Q1098-R1132 HydrophobicContact CB-CG 4.33Å; Q1098-R1132 PolarHBondContact N-O 2.97Å; Q1098-R1132 PolarHBondContact O-N 3.01Å; Q1098-R1132 VanDerWaalsContact OE1-CZ 3.28Å; Y1107-R1132 HydrophobicContact CD1-CG 3.85Å; Y1107-R1132 HydrophobicContact CE1-CG 3.97Å; Y1107-R1132 HydrophobicContact CG-CG 4.41Å; R1132-F1150 HydrophobicContact CG-CD1 4.19Å
1133V82.9Confident75.6Confident0 Ų051.9 Ų51.90%026%0.263CS..EExtended strand (participates in β ladder)trans-137.8147.7-174.759.70000113.7I1065 W1082 V1096 L1097 S1151I1065-V1133 HydrophobicContact CD1-CG1 3.69Å; I1065-V1133 HydrophobicContact CD1-CG2 4.24Å; I1065-V1133 HydrophobicContact CG1-CG1 4.37Å; W1082-V1133 HydrophobicContact CB-CG1 3.94Å; W1082-V1133 HydrophobicContact CD2-CB 4.47Å; W1082-V1133 HydrophobicContact CD2-CG1 4.5Å; W1082-V1133 HydrophobicContact CD2-CG2 4.08Å; W1082-V1133 HydrophobicContact CG-CB 4.43Å; W1082-V1133 HydrophobicContact CG-CG1 4.01Å; W1082-V1133 HydrophobicContact CG-CG2 4.08Å; V1096-V1133 VanDerWaalsContact O-CA 3.24Å; V1096-V1133 WeakPolarHBondContact O-CA 3.33Å; L1097-V1133 HydrophobicContact CD1-CB 4.09Å; V1133-S1151 PolarHBondContact N-OG 3.17Å; V1133-S1151 VanDerWaalsContact O-CB 3.25Å; V1133-S1151 WeakPolarHBondContact O-CB 3.44Å; V1133-S1151 PolarHBondContact O-N 3.03Å; V1133-S1151 PolarHBondContact O-OG 3.2Å
1134C82.3Confident75.5Confident3 Ų357.3 Ų57.32%0.0229%0.288CS..EExtended strand (participates in β ladder)trans-123.6174.7168.376.10000113.1Y1095 V1096 F1150Y1095-C1134 VanDerWaalsContact CA-O 3.29Å; Y1095-C1134 WeakPolarHBondContact CA-O 3.41Å; V1096-C1134 PolarHBondContact N-O 2.85Å; V1096-C1134 PolarHBondContact O-N 2.95Å; V1096-C1134 VanDerWaalsContact O-N 3.13Å; C1134-F1150 HydrophobicContact CB-CB 4.24Å; C1134-F1150 HydrophobicContact CB-CD1 3.55Å; C1134-F1150 HydrophobicContact CB-CD2 3.9Å; C1134-F1150 HydrophobicContact CB-CE1 3.74Å; C1134-F1150 HydrophobicContact CB-CE2 4.09Å; C1134-F1150 HydrophobicContact CB-CG 3.63Å; C1134-F1150 HydrophobicContact CB-CZ 4.01Å; C1134-F1150 VanDerWaalsContact SG-CZ 3.51Å
1135V86Confident75.8Confident1 Ų154.3 Ų54.31%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-121.1132.1-178.4179.60000110I1065 V1085 V1093 Y1095 G1148I1065-V1135 HydrophobicContact CB-CG2 4.3Å; I1065-V1135 HydrophobicContact CD1-CG2 3.54Å; I1065-V1135 HydrophobicContact CG1-CG2 3.79Å; I1065-V1135 HydrophobicContact CG2-CG2 3.59Å; V1085-V1135 HydrophobicContact CB-CG1 4.23Å; V1085-V1135 HydrophobicContact CG1-CG1 4.35Å; V1085-V1135 HydrophobicContact CG2-CG1 4.39Å; V1085-V1135 HydrophobicContact CG2-CG2 4.06Å; V1093-V1135 HydrophobicContact CB-CG1 4.49Å; V1093-V1135 HydrophobicContact CG1-CG1 3.27Å; Y1095-V1135 HydrophobicContact CD1-CG2 4.01Å; Y1095-V1135 HydrophobicContact CE1-CG2 3.94Å; V1135-G1148 WeakPolarHBondContact O-CA 3.26Å; V1135-G1148 PolarHBondContact O-N 3.07Å
1136C79.9Confident75.9Confident5 Ų553.9 Ų53.93%0.03427%0.27CS..EExtended strand (participates in β ladder)trans-127.1121.7-178.3-59.40000111.4V1093 G1094 S1147V1093-C1136 VanDerWaalsContact CA-O 3.31Å; V1093-C1136 WeakPolarHBondContact CA-O 3.38Å; V1093-C1136 VanDerWaalsContact CG1-O 3.26Å; V1093-C1136 WeakPolarHBondContact CG1-O 3.35Å; G1094-C1136 PolarHBondContact N-O 3.41Å; G1094-C1136 PolarHBondContact O-N 2.89Å; C1136-S1147 PolarHBondContact SG-OG 3.34Å
1137R82.5Confident76.3Confident3 Ų352.4 Ų52.41%0.01127%0.268CS..EExtended strand (participates in β ladder)trans-83.2126.7171.3172.9-169.9-175.7164.88.2108.9S1060 P1062 M1088 D1091 E1145 L1146S1060-R1137 PolarHBondContact O-NH1 3.5Å; S1060-R1137 PolarHBondContact OG-NH1 3.46Å; P1062-R1137 HydrophobicContact CB-CB 4.44Å; P1062-R1137 HydrophobicContact CG-CB 3.39Å; M1088-R1137 HydrophobicContact CB-CG 4.38Å; M1088-R1137 PolarHBondContact O-NH2 3.16Å; M1088-R1137 VanDerWaalsContact O-NH2 3.15Å; D1091-R1137 HydrophobicContact CB-CG 3.75Å; D1091-R1137 IonicContact OD2-CZ 3.65Å; D1091-R1137 VanDerWaalsContact OD2-CZ 3.22Å; D1091-R1137 IonicContact OD2-NE 2.68Å; D1091-R1137 PolarHBondContact OD2-NE 2.91Å; D1091-R1137 IonicContact OD2-NH2 2.63Å; D1091-R1137 PolarHBondContact OD2-NH2 2.85Å; R1137-E1145 CarbonylContact O-C 3.52Å; R1137-E1145 WeakPolarHBondContact O-CA 3.46Å; R1137-L1146 PolarHBondContact N-O 3.18Å; R1137-L1146 PolarHBondContact O-N 3.48Å
1138R78.2Confident76.7Confident125 Ų12551.1 Ų51.147%0.47226%0.262SS..EExtended strand (participates in β ladder)trans-98.2104.8173.6-172.3178.8-60.9147.34.8109D1091 P1092 L1140 E1145D1091-R1138 WeakPolarHBondContact CB-O 3.45Å; P1092-R1138 WeakPolarHBondContact CD-O 3.21Å; P1092-R1138 HydrophobicContact CG-CB 4.5Å; P1092-R1138 PolarHBondContact O-N 3.14Å; R1138-L1140 PolarHBondContact O-N 2.92Å; R1138-E1145 HydrophobicContact CB-CG 4.1Å; R1138-E1145 HydrophobicContact CG-CG 4.01Å; R1138-E1145 IonicContact CZ-OE1 3.17Å; R1138-E1145 IonicContact NE-OE1 3.4Å; R1138-E1145 PolarHBondContact NE-OE1 3.21Å; R1138-E1145 IonicContact NH2-OE1 2.65Å; R1138-E1145 PolarHBondContact NH2-OE1 3.23Å
1139C71.7Confident76.8Confident1 Ų153.2 Ų53.21%0.00728%0.277CS..  trans-68.5116.8178.3-73.30000110.3D1091 D1141 T1142 S1143 Q1144D1091-C1139 WeakPolarHBondContact OD1-CA 3.47Å; C1139-D1141 VanDerWaalsContact C-N 3.27Å; C1139-D1141 PolarHBondContact O-N 2.93Å; C1139-T1142 WeakPolarHBondContact CB-OG1 3.12Å; C1139-S1143 WeakPolarHBondContact O-CA 3.34Å; C1139-S1143 PolarHBondContact O-N 3.23Å; C1139-Q1144 PolarHBondContact N-O 3.33Å
1140L71.2Confident77Confident114 Ų11455.9 Ų55.960%0.59729%0.289SS*.THydrogen-bonded Turntrans-69.1-25.1-172.3-67.9174.2000113.4G1090 D1091 P1092 R1138G1090-L1140 WeakPolarHBondContact O-CD1 3.42Å; D1091-L1140 PolarHBondContact OD1-N 2.95Å; P1092-L1140 HydrophobicContact CG-CD2 4.01Å; R1138-L1140 PolarHBondContact O-N 2.92Å
1141D64.9Low77.1Confident99 Ų9951.1 Ų51.153%0.52927%0.273SS..THydrogen-bonded Turntrans-86.7-37.8-17851.8-10.3000113.4K1059 C1139K1059-D1141 WeakPolarHBondContact CE-OD2 3.27Å; K1059-D1141 IonicContact NZ-OD1 2.88Å; K1059-D1141 PolarHBondContact NZ-OD1 3.03Å; K1059-D1141 IonicContact NZ-OD2 3.69Å; K1059-D1141 PolarHBondContact NZ-OD2 3.1Å; C1139-D1141 VanDerWaalsContact C-N 3.27Å; C1139-D1141 PolarHBondContact O-N 2.93Å
1142T67.6Low77.2Confident83 Ų8355.4 Ų55.451%0.50930%0.3SS..THydrogen-bonded Turntrans-101.2-6.2178.962.80000113.9C1139 Q1144C1139-T1142 WeakPolarHBondContact CB-OG1 3.12Å; T1142-Q1144 PolarHBondContact O-N 2.84Å; T1142-Q1144 WeakPolarHBondContact OG1-CB 3.24Å; T1142-Q1144 PolarHBondContact OG1-N 3.13Å
1143S63.4Low77Confident103 Ų10354.7 Ų54.772%0.7231%0.306SS*.  trans55.511-168.6-60.20000115C1139C1139-S1143 WeakPolarHBondContact O-CA 3.34Å; C1139-S1143 PolarHBondContact O-N 3.23Å
1144Q72.4Confident76.9Confident118 Ų11857 Ų5755%0.55132%0.32SS*.  trans-85.4126.8-175.6-165.517416.100110.6C1139 T1142 L1146C1139-Q1144 PolarHBondContact N-O 3.33Å; T1142-Q1144 PolarHBondContact O-N 2.84Å; T1142-Q1144 WeakPolarHBondContact OG1-CB 3.24Å; T1142-Q1144 PolarHBondContact OG1-N 3.13Å; Q1144-L1146 HydrophobicContact CG-CD2 4.38Å
1145E73.5Confident76.8Confident65 Ų6559.4 Ų59.430%0.30434%0.341SS..EExtended strand (participates in β ladder)trans-82.4118.4168.2-71.2-167.7157.900110.2K1112 R1137 R1138K1112-E1145 IonicContact NZ-OE2 2.68Å; K1112-E1145 PolarHBondContact NZ-OE2 3.31Å; R1137-E1145 CarbonylContact O-C 3.52Å; R1137-E1145 WeakPolarHBondContact O-CA 3.46Å; R1138-E1145 HydrophobicContact CB-CG 4.1Å; R1138-E1145 HydrophobicContact CG-CG 4.01Å; R1138-E1145 IonicContact CZ-OE1 3.17Å; R1138-E1145 IonicContact NE-OE1 3.4Å; R1138-E1145 PolarHBondContact NE-OE1 3.21Å; R1138-E1145 IonicContact NH2-OE1 2.65Å; R1138-E1145 PolarHBondContact NH2-OE1 3.23Å
1146L77.5Confident76.4Confident34 Ų3460.9 Ų60.918%0.17835%0.347CS..EExtended strand (participates in β ladder)trans-98.3100.1172-62.3177.3000107.9V1061 P1062 R1137 Q1144V1061-L1146 HydrophobicContact CG1-CB 4.32Å; V1061-L1146 HydrophobicContact CG1-CD1 4.16Å; V1061-L1146 HydrophobicContact CG1-CD2 4.4Å; P1062-L1146 WeakPolarHBondContact CD-O 3.24Å; P1062-L1146 VanDerWaalsContact CG-O 3.24Å; P1062-L1146 WeakPolarHBondContact CG-O 3.42Å; R1137-L1146 PolarHBondContact N-O 3.18Å; R1137-L1146 PolarHBondContact O-N 3.48Å; Q1144-L1146 HydrophobicContact CG-CD2 4.38Å
1147S73.9Confident76.2Confident77 Ų7764.9 Ų64.954%0.53837%0.367SS..EExtended strand (participates in β ladder)trans-75.8129.3176.9-58.80000111.7C1136C1136-S1147 PolarHBondContact SG-OG 3.34Å
1148G79.1Confident75.5Confident8 Ų865 Ų658%0.08237%0.367CS..PPolyproline II helixtrans-78.6173.2161.100000111.8V1135V1135-G1148 WeakPolarHBondContact O-CA 3.26Å; V1135-G1148 PolarHBondContact O-N 3.07Å
1149P81.8Confident74.7Confident75 Ų7567 Ų6749%0.48738%0.382SS..PPolyproline II helixtrans-70.5156.5-178.531-37.2000113.2A1064A1064-P1149 HydrophobicContact CB-CG 3.67Å
1150F80.6Confident73.7Confident79 Ų7977 Ų7735%0.34642%0.42SS..PPolyproline II helixtrans-74.2150.2175-79-91.3000113.1V1096 Q1098 R1132 C1134V1096-F1150 HydrophobicContact CB-CE1 4.49Å; V1096-F1150 HydrophobicContact CG1-CE1 4.47Å; V1096-F1150 HydrophobicContact CG1-CZ 4.44Å; Q1098-F1150 HydrophobicContact CG-CE1 3.95Å; Q1098-F1150 HydrophobicContact CG-CZ 4.44Å; R1132-F1150 HydrophobicContact CG-CD1 4.19Å; C1134-F1150 HydrophobicContact CB-CB 4.24Å; C1134-F1150 HydrophobicContact CB-CD1 3.55Å; C1134-F1150 HydrophobicContact CB-CD2 3.9Å; C1134-F1150 HydrophobicContact CB-CE1 3.74Å; C1134-F1150 HydrophobicContact CB-CE2 4.09Å; C1134-F1150 HydrophobicContact CB-CG 3.63Å; C1134-F1150 HydrophobicContact CB-CZ 4.01Å; C1134-F1150 VanDerWaalsContact SG-CZ 3.51Å
1151S83.7Confident72.5Confident8 Ų878.8 Ų78.86%0.05643%0.429CS..PPolyproline II helixtrans-66.8164.6171.878.40000112.4I1065 K1066 V1133I1065-S1151 WeakPolarHBondContact O-CB 3.47Å; K1066-S1151 VanDerWaalsContact O-CB 3.3Å; K1066-S1151 WeakPolarHBondContact O-CB 3.21Å; V1133-S1151 PolarHBondContact N-OG 3.17Å; V1133-S1151 VanDerWaalsContact O-CB 3.25Å; V1133-S1151 WeakPolarHBondContact O-CB 3.44Å; V1133-S1151 PolarHBondContact O-N 3.03Å; V1133-S1151 PolarHBondContact O-OG 3.2Å
1152P82.3Confident71.4Confident90 Ų9080.7 Ų80.758%0.58444%0.44SS*.PPolyproline II helixtrans-60.7161.6159.7-14.929.3000111.4A1067A1067-P1152 HydrophobicContact CB-CB 4.16Å; A1067-P1152 VanDerWaalsContact CB-O 3.3Å; A1067-P1152 WeakPolarHBondContact CB-O 3.45Å
1153S81.4Confident70.3Confident57 Ų5784 Ų8440%0.39945%0.453SS..  trans-105142.2-175.957.40000113.6Y1107 F1131Y1107-S1153 WeakPolarHBondContact OH-CB 3.25Å; Y1107-S1153 PolarHBondContact OH-OG 2.54Å; F1131-S1153 CarbonylContact O-C 3.55Å; F1131-S1153 WeakPolarHBondContact O-CA 3.23Å
1154V80.9Confident69Low48 Ų4886.9 Ų86.929%0.29146%0.457SS..EExtended strand (participates in β ladder)trans-108.3153.4173.276.20000111.1P1068 V1070 R1130 F1131P1068-V1154 HydrophobicContact CG-CG1 4.11Å; P1068-V1154 WeakPolarHBondContact O-CG1 2.97Å; V1070-V1154 HydrophobicContact CG2-CG1 3.6Å; R1130-V1154 CarbonylContact C-O 3.52Å; R1130-V1154 WeakPolarHBondContact CA-O 3.33Å; R1130-V1154 WeakPolarHBondContact CB-O 3.33Å; F1131-V1154 HydrophobicContact CB-CG1 4.28Å; F1131-V1154 PolarHBondContact N-O 3.01Å; F1131-V1154 PolarHBondContact O-N 2.88Å
1155A81.1Confident67.6Low55 Ų5588.5 Ų88.546%0.45547%0.469SS..EExtended strand (participates in β ladder)trans-117.7155.8-175.500000113.2Y1129 R1130Y1129-A1155 CarbonylContact O-C 3.58Å; Y1129-A1155 WeakPolarHBondContact O-CA 3.45Å; R1130-A1155 HydrophobicContact CG-CB 3.92Å
1156F76.8Confident65.9Low31 Ų3190.3 Ų90.314%0.13649%0.494CS..EExtended strand (participates in β ladder)trans-158.9140.1-172178.6-102.8000112.8V1070 Q1072 C1078 L1123 D1128 Y1129 F1131 L1158V1070-F1156 HydrophobicContact CG1-CB 3.96Å; V1070-F1156 HydrophobicContact CG1-CD1 4.2Å; V1070-F1156 HydrophobicContact CG1-CD2 3.76Å; V1070-F1156 HydrophobicContact CG1-CE2 4.35Å; V1070-F1156 HydrophobicContact CG1-CG 3.68Å; Q1072-F1156 HydrophobicContact CB-CE2 3.88Å; Q1072-F1156 HydrophobicContact CB-CZ 3.69Å; Q1072-F1156 HydrophobicContact CG-CZ 3.95Å; C1078-F1156 HydrophobicContact CB-CD1 4.26Å; C1078-F1156 HydrophobicContact CB-CE1 3.68Å; C1078-F1156 HydrophobicContact CB-CZ 3.86Å; L1123-F1156 HydrophobicContact CD1-CE1 3.92Å; D1128-F1156 CarbonylContact C-O 3.56Å; D1128-F1156 WeakPolarHBondContact CA-O 3.3Å; Y1129-F1156 PolarHBondContact N-O 3.09Å; Y1129-F1156 PolarHBondContact O-N 3.06Å; F1131-F1156 HydrophobicContact CE2-CB 4.45Å; F1156-L1158 HydrophobicContact CE1-CD1 3.68Å; F1156-L1158 HydrophobicContact CZ-CD1 3.76Å
1157M76.4Confident63.8Low90 Ų9092.4 Ų92.444%0.44352%0.524SS..EExtended strand (participates in β ladder)trans-148.1138.1-179.7-179.3-176.9-67.600112.1T1127 D1128T1127-M1157 WeakPolarHBondContact O-CA 3.05Å; T1127-M1157 WeakPolarHBondContact O-CG 3.29Å; D1128-M1157 HydrophobicContact CB-CE 3.88Å
1158L67.7Low62.1Low6 Ų698 Ų983%0.03154%0.542CS..BIsolated β-bridgetrans-85.8147.7174.9-119.780.8000112.3Q1072 N1076 L1123 V1125 N1126 F1156Q1072-L1158 HydrophobicContact CG-CD1 4.14Å; N1076-L1158 HydrophobicContact CB-CD2 4.2Å; L1123-L1158 HydrophobicContact CD1-CD1 4.27Å; V1125-L1158 HydrophobicContact CG1-CB 4.29Å; V1125-L1158 HydrophobicContact CG2-CD2 4.33Å; N1126-L1158 WeakPolarHBondContact CA-O 3.24Å; N1126-L1158 PolarHBondContact N-O 2.78Å; N1126-L1158 PolarHBondContact OD1-O 3.12Å; F1156-L1158 HydrophobicContact CE1-CD1 3.68Å; F1156-L1158 HydrophobicContact CZ-CD1 3.76Å
1159Q61.5Low60.1Low166 Ų166104.3 Ų104.378%0.77658%0.579SS**  trans-118.4163.2-179.7-66.4-172-900114.5V1125V1125-Q1159 VanDerWaalsContact CG1-C 3.46Å
1160R49.8Very low57.9Low212 Ų212104.1 Ų104.180%0.859%0.59SS**  trans-139.3157.2172.9-132.5-179.3-176.4175.21.1110.1V1125V1125-R1160 HydrophobicContact CG1-CB 3.98Å
1161N46.8Very low55.8Low150 Ų150105.4 Ų105.480%0.80261%0.609SS**  trans-72.4151.9178.1-769.5000113.8
1162D41.7Very low53.5Low139 Ų139112.1 Ų112.174%0.74364%0.643SS**  trans81.8105.6158.5-56.7-29.6000122
1163I43.3Very low51.4Low154 Ų154115.3 Ų115.379%0.7966%0.656SS**  trans84.2106.2133.9-60.7176.2000121.6
1164M37.5Very low49.1Very low163 Ų163118.7 Ų118.780%0.80367%0.669SS**  trans76.5119.3141.7-68.5-67.8-163.700126.6
1165L41.9Very low47.9Very low152 Ų152121.1 Ų121.180%0.79669%0.686SS**  trans74.8114.9131.6-75.9166.4000127.3
1166A37.8Very low45.9Very low102 Ų102126.2 Ų126.284%0.84370%0.698SS**  72.4144127.700000125.7
1167G33.8Very low44Very low78 Ų78132.6 Ų132.680%0.80473%0.732SS**  trans151.758156.100000125.9
1168E37.5Very low42Very low194 Ų194137.3 Ų137.391%0.90775%0.75SS**  trans48.2165.8139.1-145156.8-121.900129.2
1169V37.8Very low40.5Very low142 Ų142141.6 Ų141.686%0.86178%0.78SS**  trans89149.2167.9-172.90000118.1
1170G35Very low39.1Very low71 Ų71142.3 Ų142.373%0.73279%0.786SS**  cis161.2175.1-3.300000110.8
1171S36.8Very low38.4Very low105 Ų105140.3 Ų140.373%0.73479%0.789SS**  cis-173.6173.5-21.950.50000112.4
1172L34.8Very low38.3Very low149 Ų149138.9 Ų138.978%0.7879%0.788SS**  trans82.5163.6168.6-46.9175.4000120.8
1173D38.8Very low39Very low158 Ų158138.3 Ų138.385%0.84579%0.79SS**  -160.6-151.6-51.1-86.1-9.1000114.8
1174D33.7Very low39.4Very low127 Ų127137.4 Ų137.468%0.67979%0.787SS**  trans-125.2156.7-148.2-177.982.4000121.3K1176D1174-K1176 IonicContact OD1-NZ 3.32Å; D1174-K1176 PolarHBondContact OD1-NZ 3.05Å; D1174-K1176 IonicContact OD2-NZ 2.86Å; D1174-K1176 PolarHBondContact OD2-NZ 2.83Å
1175P55.4Low40.2Very low100 Ų100138.5 Ų138.565%0.64979%0.79SS**  trans-116.9-178.9179.343.5-35000116.5
1176K38.5Very low40.7Very low162 Ų162139.9 Ų139.970%0.70479%0.792SS**  trans169.4161.4154.2-99.2150.6-146.31280123.6D1174D1174-K1176 IonicContact OD1-NZ 3.32Å; D1174-K1176 PolarHBondContact OD1-NZ 3.05Å; D1174-K1176 IonicContact OD2-NZ 2.86Å; D1174-K1176 PolarHBondContact OD2-NZ 2.83Å
1177I37.5Very low41.5Very low164 Ų164142.6 Ų142.684%0.84179%0.785SS**  trans105.1166.3138.3-82.2161000125.1
1178K35.1Very low42.5Very low189 Ų189142 Ų14282%0.82277%0.772SS**  trans-111.5-177.3-145.3-90.1-171.9173-171.90117.2
1179S35.7Very low43.3Very low97 Ų97136.1 Ų136.168%0.67876%0.757SS**  cis173.1173-31.567.40000113.3
1180M32.6Very low44.1Very low180 Ų180136 Ų13689%0.88775%0.751SS**  trans97.9112.8152.9-172.7179.4168.300123.4
1181I33.6Very low45.4Very low170 Ų170137.4 Ų137.487%0.87274%0.741SS**  trans-156.6179.7150.113.4176.7000111.1
1182P45.2Very low46.8Very low120 Ų120137.7 Ų137.778%0.77974%0.738SS**  trans-106.7-168-148.844.1-37.7000118.1
1183T56.1Low48Very low128 Ų128137 Ų13779%0.78574%0.735SS**  trans-121163.9-159.649.40000117.4
1184D51.7Low49.2Very low135 Ų135131.1 Ų131.172%0.72271%0.711SS**  trans-87.7-10.9-153.8-54.5-76.2000120.2Q1186 F1187D1184-Q1186 PolarHBondContact O-N 3.28Å; D1184-F1187 PolarHBondContact O-N 2.7Å
1185E54.4Low50.7Low186 Ų186132 Ų13287%0.86971%0.709SS**THydrogen-bonded Turntrans-60.5-17.3-164.6-68.8-171.7134.300115.8
1186Q52Low51Low180 Ų180130.3 Ų130.384%0.84170%0.703SS**THydrogen-bonded Turntrans-79.3-13.9177.7-66.3-174.3-13.700114.4D1184D1184-Q1186 PolarHBondContact O-N 3.28Å
1187F55.5Low52.2Low160 Ų160125.7 Ų125.770%0.70269%0.691SS**SBendtrans-77.9-27.9-179.9-107.8-87.6000114D1184 A1189D1184-F1187 PolarHBondContact O-N 2.7Å; F1187-A1189 PolarHBondContact O-N 2.73Å
1188A55.1Low53.5Low64 Ų64123.3 Ų123.353%0.52968%0.68SS.*Hα-helixtrans-68.7-36.8-170.400000113.9L1190 I1191A1188-L1190 PolarHBondContact O-N 3.21Å; A1188-I1191 PolarHBondContact O-N 3.13Å
1189A53.7Low54.8Low72 Ų72118.3 Ų118.360%0.59567%0.669SS**Hα-helixtrans-68-30.8-172.300000113.9F1187F1187-A1189 PolarHBondContact O-N 2.73Å
1190L54.6Low56.4Low139 Ų139119.3 Ų119.373%0.72867%0.665SS**Hα-helixtrans-73.5-29.3-178.7-82.8162.8000113.2A1188A1188-L1190 PolarHBondContact O-N 3.21Å
1191I63.1Low58.2Low100 Ų100115.7 Ų115.751%0.51365%0.648SS.*Hα-helixtrans-74.2-38.9-175.4-61.8176.4000111.2A1188 L1193 G1194 F1195A1188-I1191 PolarHBondContact O-N 3.13Å; I1191-L1193 PolarHBondContact O-N 3.31Å; I1191-G1194 PolarHBondContact O-N 3.21Å; I1191-G1194 VanDerWaalsContact O-N 3.14Å; I1191-F1195 HydrophobicContact CG2-CD2 4.09Å; I1191-F1195 HydrophobicContact CG2-CE2 3.78Å
1192V64.9Low59.6Low111 Ų111114.3 Ų114.367%0.67364%0.636SS**Hα-helixtrans-65-37.3-175-179.10000112.4G1194V1192-G1194 VanDerWaalsContact C-N 3.31Å; V1192-G1194 PolarHBondContact O-N 3.16Å
1193L60.8Low60.5Low136 Ų136111.2 Ų111.271%0.71262%0.621SS**Hα-helixtrans-67.9-27.7175.7-89.5155.7000113.3I1191 S1197I1191-L1193 PolarHBondContact O-N 3.31Å; L1193-S1197 PolarHBondContact O-OG 2.89Å
1194G64.1Low60.9Low34 Ų34108.8 Ų108.835%0.35161%0.608SS.*Hα-helixtrans-67.1-43.7177.300000113.1I1191 V1192 S1197I1191-G1194 PolarHBondContact O-N 3.21Å; I1191-G1194 VanDerWaalsContact O-N 3.14Å; V1192-G1194 VanDerWaalsContact C-N 3.31Å; V1192-G1194 PolarHBondContact O-N 3.16Å; G1194-S1197 PolarHBondContact O-OG 3.45Å
1195F65.2Low61.7Low146 Ų146106.5 Ų106.564%0.6460%0.595SS**Hα-helixtrans-71.5-32.6-177.6-77.3-77.2000113.7I1191 S1197 S1199I1191-F1195 HydrophobicContact CG2-CD2 4.09Å; I1191-F1195 HydrophobicContact CG2-CE2 3.78Å; F1195-S1197 VanDerWaalsContact C-N 3.27Å; F1195-S1197 PolarHBondContact O-N 2.9Å; F1195-S1199 PolarHBondContact O-OG 2.92Å
1196A61.5Low62Low64 Ų64102 Ų10253%0.52958%0.577SS.*Hα-helixtrans-64.2-29.3179.900000113.6
1197S63.4Low62.2Low64 Ų64100.4 Ų100.445%0.44857%0.569SS.*Hα-helixtrans-84.1-32.2-177.548.50000113.5L1193 G1194 F1195 S1199 I1200 I1201L1193-S1197 PolarHBondContact O-OG 2.89Å; G1194-S1197 PolarHBondContact O-OG 3.45Å; F1195-S1197 VanDerWaalsContact C-N 3.27Å; F1195-S1197 PolarHBondContact O-N 2.9Å; S1197-S1199 PolarHBondContact O-N 3Å; S1197-I1200 PolarHBondContact O-N 3.05Å; S1197-I1201 PolarHBondContact O-N 2.9Å
1198L65.8Low62.5Low115 Ų115101 Ų10160%0.60257%0.568SS**Hα-helixtrans-61.8-39.8173.9-95.7130.8000112.9I1200 I1201 F1202L1198-I1200 VanDerWaalsContact C-N 3.28Å; L1198-I1200 PolarHBondContact O-N 2.92Å; L1198-I1201 PolarHBondContact O-N 2.87Å; L1198-F1202 PolarHBondContact O-N 3.37Å
1199S62.2Low62.6Low84 Ų84105.4 Ų105.459%0.58758%0.575SS**Hα-helixtrans-60.4-35.7-179.6-56.20000113.3F1195 S1197 A1203F1195-S1199 PolarHBondContact O-OG 2.92Å; S1197-S1199 PolarHBondContact O-N 3Å; S1199-A1203 PolarHBondContact O-N 2.81Å
1200I69.6Low62.7Low118 Ų118110.4 Ų110.461%0.60558%0.584SS**Hα-helixtrans-71.8-41.4179.5-61.2173.9000110.4S1197 L1198 F1202 A1203 C1204S1197-I1200 PolarHBondContact O-N 3.05Å; L1198-I1200 VanDerWaalsContact C-N 3.28Å; L1198-I1200 PolarHBondContact O-N 2.92Å; I1200-F1202 VanDerWaalsContact C-N 3.31Å; I1200-F1202 PolarHBondContact O-N 3.08Å; I1200-A1203 PolarHBondContact O-N 2.85Å; I1200-C1204 PolarHBondContact O-N 2.77Å
1201I69.3Low62.4Low104 Ų104111.7 Ų111.753%0.53359%0.588SS.*Hα-helixtrans-62.6-40.4176.9-63.7169.5000110.6S1197 L1198 A1203 C1204 I1205S1197-I1201 PolarHBondContact O-N 2.9Å; L1198-I1201 PolarHBondContact O-N 2.87Å; I1201-A1203 PolarHBondContact O-N 3.45Å; I1201-C1204 PolarHBondContact O-N 3.39Å; I1201-I1205 HydrophobicContact CG2-CD1 3.95Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.42Å; I1201-I1205 PolarHBondContact O-N 2.92Å; I1201-I1205 VanDerWaalsContact O-N 3.11Å
1202F63.9Low61.3Low140 Ų140118.4 Ų118.461%0.61461%0.614SS**Hα-helixtrans-64.7-37.6178.8-147.2-90000112.7L1198 I1200 I1205 L1206L1198-F1202 PolarHBondContact O-N 3.37Å; I1200-F1202 VanDerWaalsContact C-N 3.31Å; I1200-F1202 PolarHBondContact O-N 3.08Å; F1202-I1205 PolarHBondContact O-N 3.25Å; F1202-L1206 HydrophobicContact CD1-CD1 4.01Å; F1202-L1206 HydrophobicContact CE1-CD1 4.26Å; F1202-L1206 PolarHBondContact O-N 3.18Å; F1202-L1206 VanDerWaalsContact O-N 3.11Å
1203A64.1Low61.1Low56 Ų56118.8 Ų118.846%0.46361%0.611SS.*Hα-helixtrans-63.5-42.9174.700000112.4S1199 I1200 I1201 I1205 L1206 Q1207S1199-A1203 PolarHBondContact O-N 2.81Å; I1200-A1203 PolarHBondContact O-N 2.85Å; I1201-A1203 PolarHBondContact O-N 3.45Å; A1203-I1205 VanDerWaalsContact C-N 3.33Å; A1203-I1205 PolarHBondContact O-N 2.89Å; A1203-L1206 PolarHBondContact O-N 3.14Å; A1203-Q1207 PolarHBondContact O-N 3.42Å; A1203-Q1207 VanDerWaalsContact O-N 3.09Å
1204C63.9Low61.2Low77 Ų77117.9 Ų117.952%0.5261%0.606SS.*Hα-helixtrans-65.3-34.4176.2-64.70000112.9I1200 I1201 Q1207 Y1208I1200-C1204 PolarHBondContact O-N 2.77Å; I1201-C1204 PolarHBondContact O-N 3.39Å; C1204-Q1207 PolarHBondContact O-N 3.41Å; C1204-Y1208 PolarHBondContact O-N 3.46Å; C1204-Y1208 VanDerWaalsContact O-N 3.17Å
1205I68.2Low61Low87 Ų87122.6 Ų122.645%0.44662%0.62SS.*Hα-helixtrans-68.1-42.2176.6-69167.3000111I1201 F1202 A1203 Q1207 Y1208 F1209I1201-I1205 HydrophobicContact CG2-CD1 3.95Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.42Å; I1201-I1205 PolarHBondContact O-N 2.92Å; I1201-I1205 VanDerWaalsContact O-N 3.11Å; F1202-I1205 PolarHBondContact O-N 3.25Å; A1203-I1205 VanDerWaalsContact C-N 3.33Å; A1203-I1205 PolarHBondContact O-N 2.89Å; I1205-Q1207 VanDerWaalsContact C-N 3.33Å; I1205-Q1207 PolarHBondContact O-N 3.44Å; I1205-Y1208 PolarHBondContact O-N 2.97Å; I1205-F1209 HydrophobicContact CG2-CD2 4.37Å; I1205-F1209 PolarHBondContact O-N 2.6Å
1206L61.7Low60.8Low92 Ų92121.2 Ų121.248%0.48262%0.619SS.*Hα-helixtrans-59.9-42.8173.5-81.4162.6000111.8F1202 A1203 Y1208 F1209 F1210F1202-L1206 HydrophobicContact CD1-CD1 4.01Å; F1202-L1206 HydrophobicContact CE1-CD1 4.26Å; F1202-L1206 PolarHBondContact O-N 3.18Å; F1202-L1206 VanDerWaalsContact O-N 3.11Å; A1203-L1206 PolarHBondContact O-N 3.14Å; L1206-Y1208 VanDerWaalsContact C-N 3.27Å; L1206-Y1208 PolarHBondContact O-N 3.31Å; L1206-F1209 PolarHBondContact O-N 2.93Å; L1206-F1209 VanDerWaalsContact O-N 3.16Å; L1206-F1210 PolarHBondContact O-N 3.02Å
1207Q56.8Low60.7Low145 Ų145124.8 Ų124.868%0.67862%0.624SS**Hα-helixtrans-66.1-27.1179.4-161.3170.713.100113.2A1203 C1204 I1205A1203-Q1207 PolarHBondContact O-N 3.42Å; A1203-Q1207 VanDerWaalsContact O-N 3.09Å; C1204-Q1207 PolarHBondContact O-N 3.41Å; I1205-Q1207 VanDerWaalsContact C-N 3.33Å; I1205-Q1207 PolarHBondContact O-N 3.44Å
1208Y60.1Low60.5Low174 Ų174128.8 Ų128.868%0.68264%0.636SS**Hα-helixtrans-72.5-32.4173.3-174.7-101.4000113.1C1204 I1205 L1206C1204-Y1208 PolarHBondContact O-N 3.46Å; C1204-Y1208 VanDerWaalsContact O-N 3.17Å; I1205-Y1208 PolarHBondContact O-N 2.97Å; L1206-Y1208 VanDerWaalsContact C-N 3.27Å; L1206-Y1208 PolarHBondContact O-N 3.31Å
1209F58.3Low60.2Low156 Ų156129.8 Ų129.868%0.68464%0.638SS**Hα-helixtrans-80-17.9179.6-93.2-82.3000114.6I1205 L1206I1205-F1209 HydrophobicContact CG2-CD2 4.37Å; I1205-F1209 PolarHBondContact O-N 2.6Å; L1206-F1209 PolarHBondContact O-N 2.93Å; L1206-F1209 VanDerWaalsContact O-N 3.16Å
1210F54.7Low60Low176 Ų176133.3 Ų133.377%0.77264%0.642SS**THydrogen-bonded Turntrans-92.32.5178.3-88.6-76.7000114.8L1206L1206-F1210 PolarHBondContact O-N 3.02Å
1211M49.6Very low59.2Low167 Ų167134.6 Ų134.682%0.82365%0.645SS**  trans-116.936.1176.8-67.1-149.173.400112.9
1212K40Very low58.3Low241 Ų241137.4 Ų137.4100%1.04866%0.656SS**  trans-152.60178.6-149.9-179.6-175-175.90113.1

Retrieved 1,212 of 1,212 residues in 6187.7 ms (Link to these results)